diff --git a/adaptivemd/data/e1s1_ntl9_1ns_0/output.xtc b/adaptivemd/data/e1s1_ntl9_1ns_0/output.xtc new file mode 100644 index 0000000..359e3ca Binary files /dev/null and b/adaptivemd/data/e1s1_ntl9_1ns_0/output.xtc differ diff --git a/adaptivemd/data/e1s2_ntl9_1ns_1/output.xtc b/adaptivemd/data/e1s2_ntl9_1ns_1/output.xtc new file mode 100644 index 0000000..79b7b07 Binary files /dev/null and b/adaptivemd/data/e1s2_ntl9_1ns_1/output.xtc differ diff --git a/adaptivemd/data/e1s3_ntl9_1ns_2/output.xtc b/adaptivemd/data/e1s3_ntl9_1ns_2/output.xtc new file mode 100644 index 0000000..31f1ffa Binary files /dev/null and b/adaptivemd/data/e1s3_ntl9_1ns_2/output.xtc differ diff --git a/adaptivemd/data/e2s1_e1s1p0f4/output.xtc b/adaptivemd/data/e2s1_e1s1p0f4/output.xtc new file mode 100644 index 0000000..93fddc4 Binary files /dev/null and b/adaptivemd/data/e2s1_e1s1p0f4/output.xtc differ diff --git a/adaptivemd/data/e2s2_e1s2p0f3/output.xtc b/adaptivemd/data/e2s2_e1s2p0f3/output.xtc new file mode 100644 index 0000000..da31502 Binary files /dev/null and b/adaptivemd/data/e2s2_e1s2p0f3/output.xtc differ diff --git a/adaptivemd/data/e3s1_e2s1p0f6/output.xtc b/adaptivemd/data/e3s1_e2s1p0f6/output.xtc new file mode 100644 index 0000000..82c0a89 Binary files /dev/null and b/adaptivemd/data/e3s1_e2s1p0f6/output.xtc differ diff --git a/adaptivemd/data/e3s2_e1s1p0f1/output.xtc b/adaptivemd/data/e3s2_e1s1p0f1/output.xtc new file mode 100644 index 0000000..abeb51d Binary files /dev/null and b/adaptivemd/data/e3s2_e1s1p0f1/output.xtc differ diff --git a/adaptivemd/filtered/e1s1_ntl9_1ns_0/output.filtered.xtc b/adaptivemd/filtered/e1s1_ntl9_1ns_0/output.filtered.xtc new file mode 100644 index 0000000..772aa48 Binary files /dev/null and b/adaptivemd/filtered/e1s1_ntl9_1ns_0/output.filtered.xtc differ diff --git a/adaptivemd/filtered/e1s2_ntl9_1ns_1/output.filtered.xtc b/adaptivemd/filtered/e1s2_ntl9_1ns_1/output.filtered.xtc new file mode 100644 index 0000000..c79fd13 Binary files /dev/null and b/adaptivemd/filtered/e1s2_ntl9_1ns_1/output.filtered.xtc differ diff --git a/adaptivemd/filtered/e1s3_ntl9_1ns_2/output.filtered.xtc b/adaptivemd/filtered/e1s3_ntl9_1ns_2/output.filtered.xtc new file mode 100644 index 0000000..478d797 Binary files /dev/null and b/adaptivemd/filtered/e1s3_ntl9_1ns_2/output.filtered.xtc differ diff --git a/adaptivemd/filtered/e2s1_e1s1p0f4/output.filtered.xtc b/adaptivemd/filtered/e2s1_e1s1p0f4/output.filtered.xtc new file mode 100644 index 0000000..83ccbe6 Binary files /dev/null and b/adaptivemd/filtered/e2s1_e1s1p0f4/output.filtered.xtc differ diff --git a/adaptivemd/filtered/filtered.pdb b/adaptivemd/filtered/filtered.pdb new file mode 100644 index 0000000..8a6c62d --- /dev/null +++ b/adaptivemd/filtered/filtered.pdb @@ -0,0 +1,1283 @@ +MODEL 1 +ATOM 1 CAY MET 1 20.934 -3.579 -22.871 0.00 0.00 P C +ATOM 2 HY1 MET 1 21.144 -3.509 -23.961 0.00 0.00 P H +ATOM 3 HY2 MET 1 21.914 -3.329 -22.401 0.00 0.00 P H +ATOM 4 HY3 MET 1 20.444 -2.589 -22.751 0.00 0.00 P H +ATOM 5 CY MET 1 20.224 -4.549 -22.191 0.00 0.00 P C +ATOM 6 OY MET 1 20.514 -4.819 -21.051 0.00 0.00 P O +ATOM 7 N MET 1 19.144 -5.189 -22.741 0.00 0.00 P N +ATOM 8 HN MET 1 19.034 -5.109 -23.731 0.00 0.00 P H +ATOM 9 CA MET 1 18.264 -6.069 -22.101 0.00 0.00 P C +ATOM 10 HA MET 1 17.734 -5.469 -21.381 0.00 0.00 P H +ATOM 11 CB MET 1 17.044 -6.279 -23.061 0.00 0.00 P C +ATOM 12 HB1 MET 1 16.134 -6.399 -22.441 0.00 0.00 P H +ATOM 13 HB2 MET 1 16.934 -5.329 -23.631 0.00 0.00 P H +ATOM 14 CG MET 1 17.264 -7.469 -24.081 0.00 0.00 P C +ATOM 15 HG1 MET 1 18.144 -7.269 -24.721 0.00 0.00 P H +ATOM 16 HG2 MET 1 17.514 -8.429 -23.571 0.00 0.00 P H +ATOM 17 SD MET 1 15.784 -7.699 -25.041 0.00 0.00 P S +ATOM 18 CE MET 1 14.644 -8.859 -24.111 0.00 0.00 P C +ATOM 19 HE1 MET 1 14.444 -9.609 -24.911 0.00 0.00 P H +ATOM 20 HE2 MET 1 15.174 -9.459 -23.341 0.00 0.00 P H +ATOM 21 HE3 MET 1 13.714 -8.399 -23.701 0.00 0.00 P H +ATOM 22 C MET 1 18.874 -7.309 -21.501 0.00 0.00 P C +ATOM 23 O MET 1 18.494 -7.699 -20.441 0.00 0.00 P O +ATOM 24 N LYS 2 20.034 -7.889 -21.991 0.00 0.00 P N +ATOM 25 HN LYS 2 20.404 -7.509 -22.831 0.00 0.00 P H +ATOM 26 CA LYS 2 20.924 -8.789 -21.251 0.00 0.00 P C +ATOM 27 HA LYS 2 20.134 -9.499 -21.031 0.00 0.00 P H +ATOM 28 CB LYS 2 21.984 -9.429 -22.211 0.00 0.00 P C +ATOM 29 HB1 LYS 2 21.644 -9.469 -23.271 0.00 0.00 P H +ATOM 30 HB2 LYS 2 22.844 -8.729 -22.321 0.00 0.00 P H +ATOM 31 CG LYS 2 22.574 -10.719 -21.791 0.00 0.00 P C +ATOM 32 HG1 LYS 2 23.174 -11.079 -22.661 0.00 0.00 P H +ATOM 33 HG2 LYS 2 23.314 -10.499 -20.991 0.00 0.00 P H +ATOM 34 CD LYS 2 21.694 -11.839 -21.381 0.00 0.00 P C +ATOM 35 HD1 LYS 2 22.354 -12.449 -20.731 0.00 0.00 P H +ATOM 36 HD2 LYS 2 20.914 -11.519 -20.661 0.00 0.00 P H +ATOM 37 CE LYS 2 21.074 -12.509 -22.601 0.00 0.00 P C +ATOM 38 HE1 LYS 2 20.504 -11.679 -23.081 0.00 0.00 P H +ATOM 39 HE2 LYS 2 21.724 -12.879 -23.411 0.00 0.00 P H +ATOM 40 NZ LYS 2 20.284 -13.689 -22.301 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 20.844 -14.559 -22.171 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 19.604 -13.669 -21.521 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 19.804 -13.949 -23.191 0.00 0.00 P H +ATOM 44 C LYS 2 21.614 -8.249 -19.941 0.00 0.00 P C +ATOM 45 O LYS 2 22.034 -9.059 -19.171 0.00 0.00 P O +ATOM 46 N VAL 3 21.594 -6.939 -19.711 0.00 0.00 P N +ATOM 47 HN VAL 3 21.104 -6.299 -20.301 0.00 0.00 P H +ATOM 48 CA VAL 3 22.524 -6.319 -18.801 0.00 0.00 P C +ATOM 49 HA VAL 3 23.234 -6.999 -18.341 0.00 0.00 P H +ATOM 50 CB VAL 3 23.524 -5.379 -19.631 0.00 0.00 P C +ATOM 51 HB VAL 3 22.974 -4.439 -19.841 0.00 0.00 P H +ATOM 52 CG1 VAL 3 24.824 -4.979 -19.001 0.00 0.00 P C +ATOM 53 HG11 VAL 3 25.444 -5.899 -18.921 0.00 0.00 P H +ATOM 54 HG12 VAL 3 25.304 -4.269 -19.711 0.00 0.00 P H +ATOM 55 HG13 VAL 3 24.764 -4.529 -17.991 0.00 0.00 P H +ATOM 56 CG2 VAL 3 23.814 -5.999 -21.071 0.00 0.00 P C +ATOM 57 HG21 VAL 3 22.924 -5.949 -21.741 0.00 0.00 P H +ATOM 58 HG22 VAL 3 24.654 -5.429 -21.511 0.00 0.00 P H +ATOM 59 HG23 VAL 3 24.334 -6.989 -21.051 0.00 0.00 P H +ATOM 60 C VAL 3 21.694 -5.559 -17.761 0.00 0.00 P C +ATOM 61 O VAL 3 22.124 -4.539 -17.261 0.00 0.00 P O +ATOM 62 N ILE 4 20.494 -6.079 -17.341 0.00 0.00 P N +ATOM 63 HN ILE 4 20.064 -6.919 -17.651 0.00 0.00 P H +ATOM 64 CA ILE 4 19.584 -5.459 -16.371 0.00 0.00 P C +ATOM 65 HA ILE 4 19.114 -4.609 -16.831 0.00 0.00 P H +ATOM 66 CB ILE 4 18.384 -6.349 -15.991 0.00 0.00 P C +ATOM 67 HB ILE 4 18.414 -6.959 -15.061 0.00 0.00 P H +ATOM 68 CG2 ILE 4 17.224 -5.349 -15.661 0.00 0.00 P C +ATOM 69 HG21 ILE 4 17.584 -4.609 -14.901 0.00 0.00 P H +ATOM 70 HG22 ILE 4 17.024 -4.679 -16.521 0.00 0.00 P H +ATOM 71 HG23 ILE 4 16.204 -5.679 -15.351 0.00 0.00 P H +ATOM 72 CG1 ILE 4 17.974 -7.409 -17.111 0.00 0.00 P C +ATOM 73 HG11 ILE 4 17.844 -6.949 -18.121 0.00 0.00 P H +ATOM 74 HG12 ILE 4 18.814 -8.139 -17.131 0.00 0.00 P H +ATOM 75 CD ILE 4 16.574 -8.089 -17.001 0.00 0.00 P C +ATOM 76 HD1 ILE 4 16.414 -8.599 -16.031 0.00 0.00 P H +ATOM 77 HD2 ILE 4 15.804 -7.309 -17.211 0.00 0.00 P H +ATOM 78 HD3 ILE 4 16.504 -8.699 -17.931 0.00 0.00 P H +ATOM 79 C ILE 4 20.114 -5.049 -15.091 0.00 0.00 P C +ATOM 80 O ILE 4 20.784 -5.859 -14.531 0.00 0.00 P O +ATOM 81 N PHE 5 19.904 -3.819 -14.641 0.00 0.00 P N +ATOM 82 HN PHE 5 19.384 -3.069 -15.051 0.00 0.00 P H +ATOM 83 CA PHE 5 20.774 -3.379 -13.481 0.00 0.00 P C +ATOM 84 HA PHE 5 21.744 -3.839 -13.641 0.00 0.00 P H +ATOM 85 CB PHE 5 20.924 -1.779 -13.521 0.00 0.00 P C +ATOM 86 HB1 PHE 5 19.884 -1.409 -13.401 0.00 0.00 P H +ATOM 87 HB2 PHE 5 21.694 -1.519 -12.761 0.00 0.00 P H +ATOM 88 CG PHE 5 21.544 -1.199 -14.811 0.00 0.00 P C +ATOM 89 CD1 PHE 5 22.664 -1.869 -15.301 0.00 0.00 P C +ATOM 90 HD1 PHE 5 23.044 -2.709 -14.741 0.00 0.00 P H +ATOM 91 CE1 PHE 5 22.974 -1.759 -16.671 0.00 0.00 P C +ATOM 92 HE1 PHE 5 23.744 -2.419 -17.051 0.00 0.00 P H +ATOM 93 CZ PHE 5 22.244 -0.929 -17.531 0.00 0.00 P C +ATOM 94 HZ PHE 5 22.374 -0.729 -18.581 0.00 0.00 P H +ATOM 95 CD2 PHE 5 20.874 -0.339 -15.631 0.00 0.00 P C +ATOM 96 HD2 PHE 5 19.854 -0.019 -15.461 0.00 0.00 P H +ATOM 97 CE2 PHE 5 21.174 -0.239 -16.971 0.00 0.00 P C +ATOM 98 HE2 PHE 5 20.564 0.491 -17.491 0.00 0.00 P H +ATOM 99 C PHE 5 20.204 -3.859 -12.141 0.00 0.00 P C +ATOM 100 O PHE 5 20.884 -3.889 -11.141 0.00 0.00 P O +ATOM 101 N LEU 6 18.934 -4.359 -12.081 0.00 0.00 P N +ATOM 102 HN LEU 6 18.334 -4.459 -12.871 0.00 0.00 P H +ATOM 103 CA LEU 6 18.184 -4.959 -10.931 0.00 0.00 P C +ATOM 104 HA LEU 6 18.714 -4.809 -10.001 0.00 0.00 P H +ATOM 105 CB LEU 6 16.784 -4.319 -10.721 0.00 0.00 P C +ATOM 106 HB1 LEU 6 16.074 -4.489 -11.561 0.00 0.00 P H +ATOM 107 HB2 LEU 6 16.354 -4.769 -9.801 0.00 0.00 P H +ATOM 108 CG LEU 6 16.724 -2.749 -10.541 0.00 0.00 P C +ATOM 109 HG LEU 6 17.164 -2.219 -11.411 0.00 0.00 P H +ATOM 110 CD1 LEU 6 15.264 -2.259 -10.461 0.00 0.00 P C +ATOM 111 HD11 LEU 6 14.654 -2.779 -9.691 0.00 0.00 P H +ATOM 112 HD12 LEU 6 14.934 -1.209 -10.451 0.00 0.00 P H +ATOM 113 HD13 LEU 6 14.784 -2.519 -11.421 0.00 0.00 P H +ATOM 114 CD2 LEU 6 17.694 -2.319 -9.291 0.00 0.00 P C +ATOM 115 HD21 LEU 6 18.744 -2.599 -9.491 0.00 0.00 P H +ATOM 116 HD22 LEU 6 17.534 -1.229 -9.181 0.00 0.00 P H +ATOM 117 HD23 LEU 6 17.414 -2.919 -8.391 0.00 0.00 P H +ATOM 118 C LEU 6 18.114 -6.409 -11.051 0.00 0.00 P C +ATOM 119 O LEU 6 17.914 -6.759 -12.201 0.00 0.00 P O +ATOM 120 N LYS 7 18.344 -7.339 -10.081 0.00 0.00 P N +ATOM 121 HN LYS 7 18.514 -7.149 -9.121 0.00 0.00 P H +ATOM 122 CA LYS 7 18.264 -8.759 -10.431 0.00 0.00 P C +ATOM 123 HA LYS 7 17.384 -8.819 -11.061 0.00 0.00 P H +ATOM 124 CB LYS 7 19.264 -9.289 -11.471 0.00 0.00 P C +ATOM 125 HB1 LYS 7 18.974 -10.349 -11.611 0.00 0.00 P H +ATOM 126 HB2 LYS 7 19.074 -8.799 -12.461 0.00 0.00 P H +ATOM 127 CG LYS 7 20.774 -9.079 -10.961 0.00 0.00 P C +ATOM 128 HG1 LYS 7 20.684 -8.159 -10.351 0.00 0.00 P H +ATOM 129 HG2 LYS 7 21.154 -9.789 -10.191 0.00 0.00 P H +ATOM 130 CD LYS 7 21.764 -8.709 -12.011 0.00 0.00 P C +ATOM 131 HD1 LYS 7 21.344 -8.259 -12.931 0.00 0.00 P H +ATOM 132 HD2 LYS 7 22.564 -8.019 -11.681 0.00 0.00 P H +ATOM 133 CE LYS 7 22.524 -9.929 -12.411 0.00 0.00 P C +ATOM 134 HE1 LYS 7 23.384 -9.749 -13.101 0.00 0.00 P H +ATOM 135 HE2 LYS 7 22.974 -10.419 -11.521 0.00 0.00 P H +ATOM 136 NZ LYS 7 21.674 -10.869 -13.131 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 20.974 -10.559 -13.841 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 22.204 -11.679 -13.531 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 21.174 -11.229 -12.291 0.00 0.00 P H +ATOM 140 C LYS 7 18.144 -9.679 -9.211 0.00 0.00 P C +ATOM 141 O LYS 7 19.084 -9.929 -8.431 0.00 0.00 P O +ATOM 142 N ASP 8 16.914 -10.259 -9.041 0.00 0.00 P N +ATOM 143 HN ASP 8 16.204 -10.099 -9.721 0.00 0.00 P H +ATOM 144 CA ASP 8 16.294 -11.289 -8.111 0.00 0.00 P C +ATOM 145 HA ASP 8 15.384 -11.479 -8.641 0.00 0.00 P H +ATOM 146 CB ASP 8 17.124 -12.519 -7.901 0.00 0.00 P C +ATOM 147 HB1 ASP 8 18.104 -12.189 -7.501 0.00 0.00 P H +ATOM 148 HB2 ASP 8 16.724 -13.189 -7.121 0.00 0.00 P H +ATOM 149 CG ASP 8 17.204 -13.289 -9.201 0.00 0.00 P C +ATOM 150 OD1 ASP 8 16.144 -13.719 -9.721 0.00 0.00 P O +ATOM 151 OD2 ASP 8 18.304 -13.469 -9.721 0.00 0.00 P O +ATOM 152 C ASP 8 15.994 -10.579 -6.801 0.00 0.00 P C +ATOM 153 O ASP 8 16.884 -9.939 -6.101 0.00 0.00 P O +ATOM 154 N VAL 9 14.734 -10.669 -6.351 0.00 0.00 P N +ATOM 155 HN VAL 9 14.104 -10.979 -7.051 0.00 0.00 P H +ATOM 156 CA VAL 9 14.084 -10.129 -5.321 0.00 0.00 P C +ATOM 157 HA VAL 9 14.604 -9.259 -4.931 0.00 0.00 P H +ATOM 158 CB VAL 9 12.604 -9.859 -5.671 0.00 0.00 P C +ATOM 159 HB VAL 9 12.104 -10.629 -6.291 0.00 0.00 P H +ATOM 160 CG1 VAL 9 11.704 -9.629 -4.491 0.00 0.00 P C +ATOM 161 HG11 VAL 9 12.054 -8.819 -3.811 0.00 0.00 P H +ATOM 162 HG12 VAL 9 10.664 -9.399 -4.801 0.00 0.00 P H +ATOM 163 HG13 VAL 9 11.514 -10.519 -3.851 0.00 0.00 P H +ATOM 164 CG2 VAL 9 12.324 -8.569 -6.581 0.00 0.00 P C +ATOM 165 HG21 VAL 9 12.754 -7.579 -6.321 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.744 -8.909 -7.551 0.00 0.00 P H +ATOM 167 HG23 VAL 9 11.244 -8.339 -6.711 0.00 0.00 P H +ATOM 168 C VAL 9 14.074 -11.059 -4.211 0.00 0.00 P C +ATOM 169 O VAL 9 13.434 -12.139 -4.281 0.00 0.00 P O +ATOM 170 N LYS 10 14.734 -10.649 -3.121 0.00 0.00 P N +ATOM 171 HN LYS 10 15.274 -9.819 -3.111 0.00 0.00 P H +ATOM 172 CA LYS 10 14.894 -11.499 -1.981 0.00 0.00 P C +ATOM 173 HA LYS 10 14.054 -12.169 -1.811 0.00 0.00 P H +ATOM 174 CB LYS 10 16.134 -12.379 -2.201 0.00 0.00 P C +ATOM 175 HB1 LYS 10 16.114 -13.409 -1.791 0.00 0.00 P H +ATOM 176 HB2 LYS 10 16.114 -12.619 -3.291 0.00 0.00 P H +ATOM 177 CG LYS 10 17.604 -11.799 -1.901 0.00 0.00 P C +ATOM 178 HG1 LYS 10 17.674 -10.859 -2.491 0.00 0.00 P H +ATOM 179 HG2 LYS 10 17.414 -11.599 -0.831 0.00 0.00 P H +ATOM 180 CD LYS 10 18.714 -12.809 -2.331 0.00 0.00 P C +ATOM 181 HD1 LYS 10 18.454 -13.689 -1.701 0.00 0.00 P H +ATOM 182 HD2 LYS 10 18.574 -13.059 -3.401 0.00 0.00 P H +ATOM 183 CE LYS 10 20.064 -12.299 -1.961 0.00 0.00 P C +ATOM 184 HE1 LYS 10 20.244 -11.269 -2.351 0.00 0.00 P H +ATOM 185 HE2 LYS 10 20.434 -12.249 -0.921 0.00 0.00 P H +ATOM 186 NZ LYS 10 21.054 -13.269 -2.551 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 21.884 -12.719 -2.861 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 21.304 -13.989 -1.851 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 20.734 -13.809 -3.381 0.00 0.00 P H +ATOM 190 C LYS 10 15.034 -10.789 -0.671 0.00 0.00 P C +ATOM 191 O LYS 10 15.454 -9.599 -0.601 0.00 0.00 P O +ATOM 192 N GLY 11 14.694 -11.429 0.369 0.00 0.00 P N +ATOM 193 HN GLY 11 14.524 -12.349 0.029 0.00 0.00 P H +ATOM 194 CA GLY 11 14.524 -11.039 1.729 0.00 0.00 P C +ATOM 195 HA1 GLY 11 14.774 -11.939 2.269 0.00 0.00 P H +ATOM 196 HA2 GLY 11 15.284 -10.289 1.909 0.00 0.00 P H +ATOM 197 C GLY 11 13.194 -10.549 2.129 0.00 0.00 P C +ATOM 198 O GLY 11 12.604 -9.539 1.559 0.00 0.00 P O +ATOM 199 N MET 12 12.694 -10.939 3.269 0.00 0.00 P N +ATOM 200 HN MET 12 13.104 -11.829 3.459 0.00 0.00 P H +ATOM 201 CA MET 12 11.384 -10.619 3.699 0.00 0.00 P C +ATOM 202 HA MET 12 10.714 -10.399 2.879 0.00 0.00 P H +ATOM 203 CB MET 12 10.614 -11.679 4.489 0.00 0.00 P C +ATOM 204 HB1 MET 12 10.514 -12.569 3.829 0.00 0.00 P H +ATOM 205 HB2 MET 12 11.144 -12.079 5.379 0.00 0.00 P H +ATOM 206 CG MET 12 9.104 -11.469 4.939 0.00 0.00 P C +ATOM 207 HG1 MET 12 8.934 -12.429 5.459 0.00 0.00 P H +ATOM 208 HG2 MET 12 9.064 -10.709 5.749 0.00 0.00 P H +ATOM 209 SD MET 12 7.874 -11.019 3.679 0.00 0.00 P S +ATOM 210 CE MET 12 6.514 -10.339 4.719 0.00 0.00 P C +ATOM 211 HE1 MET 12 5.564 -10.259 4.159 0.00 0.00 P H +ATOM 212 HE2 MET 12 6.574 -11.039 5.579 0.00 0.00 P H +ATOM 213 HE3 MET 12 6.694 -9.279 4.979 0.00 0.00 P H +ATOM 214 C MET 12 11.384 -9.259 4.449 0.00 0.00 P C +ATOM 215 O MET 12 12.024 -9.199 5.489 0.00 0.00 P O +ATOM 216 N GLY 13 10.764 -8.289 3.949 0.00 0.00 P N +ATOM 217 HN GLY 13 10.444 -8.149 3.019 0.00 0.00 P H +ATOM 218 CA GLY 13 10.404 -7.049 4.819 0.00 0.00 P C +ATOM 219 HA1 GLY 13 11.274 -7.019 5.459 0.00 0.00 P H +ATOM 220 HA2 GLY 13 10.524 -6.219 4.139 0.00 0.00 P H +ATOM 221 C GLY 13 9.264 -6.909 5.559 0.00 0.00 P C +ATOM 222 O GLY 13 8.614 -7.839 6.109 0.00 0.00 P O +ATOM 223 N LYS 14 8.844 -5.609 5.749 0.00 0.00 P N +ATOM 224 HN LYS 14 9.474 -4.899 5.439 0.00 0.00 P H +ATOM 225 CA LYS 14 7.574 -5.409 6.409 0.00 0.00 P C +ATOM 226 HA LYS 14 6.984 -6.309 6.469 0.00 0.00 P H +ATOM 227 CB LYS 14 7.394 -4.589 7.759 0.00 0.00 P C +ATOM 228 HB1 LYS 14 7.874 -3.629 7.489 0.00 0.00 P H +ATOM 229 HB2 LYS 14 6.394 -4.469 8.239 0.00 0.00 P H +ATOM 230 CG LYS 14 8.194 -5.019 9.049 0.00 0.00 P C +ATOM 231 HG1 LYS 14 7.964 -6.099 9.209 0.00 0.00 P H +ATOM 232 HG2 LYS 14 9.304 -4.969 9.009 0.00 0.00 P H +ATOM 233 CD LYS 14 7.694 -4.379 10.309 0.00 0.00 P C +ATOM 234 HD1 LYS 14 8.474 -4.249 11.089 0.00 0.00 P H +ATOM 235 HD2 LYS 14 7.514 -3.299 10.139 0.00 0.00 P H +ATOM 236 CE LYS 14 6.344 -5.059 10.739 0.00 0.00 P C +ATOM 237 HE1 LYS 14 5.474 -4.859 10.079 0.00 0.00 P H +ATOM 238 HE2 LYS 14 6.624 -6.129 10.799 0.00 0.00 P H +ATOM 239 NZ LYS 14 5.924 -4.849 12.189 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 6.034 -3.859 12.509 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 4.924 -5.149 12.229 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 6.664 -5.349 12.719 0.00 0.00 P H +ATOM 243 C LYS 14 6.624 -4.739 5.369 0.00 0.00 P C +ATOM 244 O LYS 14 5.734 -3.909 5.799 0.00 0.00 P O +ATOM 245 N LYS 15 6.794 -4.969 4.079 0.00 0.00 P N +ATOM 246 HN LYS 15 7.384 -5.719 3.799 0.00 0.00 P H +ATOM 247 CA LYS 15 6.034 -4.309 2.989 0.00 0.00 P C +ATOM 248 HA LYS 15 5.544 -3.409 3.349 0.00 0.00 P H +ATOM 249 CB LYS 15 7.054 -3.949 1.889 0.00 0.00 P C +ATOM 250 HB1 LYS 15 7.774 -4.739 1.569 0.00 0.00 P H +ATOM 251 HB2 LYS 15 6.454 -3.419 1.119 0.00 0.00 P H +ATOM 252 CG LYS 15 8.114 -2.809 2.419 0.00 0.00 P C +ATOM 253 HG1 LYS 15 8.804 -3.359 3.099 0.00 0.00 P H +ATOM 254 HG2 LYS 15 8.634 -2.659 1.459 0.00 0.00 P H +ATOM 255 CD LYS 15 7.584 -1.599 3.189 0.00 0.00 P C +ATOM 256 HD1 LYS 15 7.164 -1.889 4.169 0.00 0.00 P H +ATOM 257 HD2 LYS 15 8.484 -1.019 3.479 0.00 0.00 P H +ATOM 258 CE LYS 15 6.734 -0.729 2.239 0.00 0.00 P C +ATOM 259 HE1 LYS 15 7.314 -0.529 1.309 0.00 0.00 P H +ATOM 260 HE2 LYS 15 5.724 -1.179 2.219 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.404 0.521 2.779 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 5.824 0.521 3.649 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.244 1.071 3.019 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.914 1.041 2.029 0.00 0.00 P H +ATOM 265 C LYS 15 4.884 -5.249 2.419 0.00 0.00 P C +ATOM 266 O LYS 15 4.984 -6.459 2.369 0.00 0.00 P O +ATOM 267 N GLY 16 3.844 -4.529 1.959 0.00 0.00 P N +ATOM 268 HN GLY 16 3.674 -3.579 2.179 0.00 0.00 P H +ATOM 269 CA GLY 16 2.574 -5.129 1.489 0.00 0.00 P C +ATOM 270 HA1 GLY 16 1.964 -4.409 0.969 0.00 0.00 P H +ATOM 271 HA2 GLY 16 2.844 -6.039 0.959 0.00 0.00 P H +ATOM 272 C GLY 16 1.844 -5.679 2.579 0.00 0.00 P C +ATOM 273 O GLY 16 1.424 -4.779 3.369 0.00 0.00 P O +ATOM 274 N GLU 17 1.664 -7.039 2.679 0.00 0.00 P N +ATOM 275 HN GLU 17 1.964 -7.619 1.929 0.00 0.00 P H +ATOM 276 CA GLU 17 0.664 -7.589 3.619 0.00 0.00 P C +ATOM 277 HA GLU 17 -0.226 -7.009 3.479 0.00 0.00 P H +ATOM 278 CB GLU 17 0.364 -9.129 3.379 0.00 0.00 P C +ATOM 279 HB1 GLU 17 1.394 -9.519 3.499 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.296 -9.599 4.139 0.00 0.00 P H +ATOM 281 CG GLU 17 -0.236 -9.489 1.899 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -0.626 -8.629 1.329 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.584 -9.859 1.239 0.00 0.00 P H +ATOM 284 CD GLU 17 -1.416 -10.529 1.859 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -2.466 -10.119 2.399 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.326 -11.669 1.279 0.00 0.00 P O +ATOM 287 C GLU 17 1.064 -7.529 5.169 0.00 0.00 P C +ATOM 288 O GLU 17 1.194 -8.509 5.839 0.00 0.00 P O +ATOM 289 N ILE 18 1.174 -6.269 5.769 0.00 0.00 P N +ATOM 290 HN ILE 18 1.034 -5.459 5.209 0.00 0.00 P H +ATOM 291 CA ILE 18 1.414 -6.079 7.169 0.00 0.00 P C +ATOM 292 HA ILE 18 2.424 -6.459 7.279 0.00 0.00 P H +ATOM 293 CB ILE 18 1.404 -4.559 7.579 0.00 0.00 P C +ATOM 294 HB ILE 18 0.384 -4.099 7.569 0.00 0.00 P H +ATOM 295 CG2 ILE 18 1.844 -4.279 9.059 0.00 0.00 P C +ATOM 296 HG21 ILE 18 2.884 -4.619 9.209 0.00 0.00 P H +ATOM 297 HG22 ILE 18 1.774 -3.179 9.249 0.00 0.00 P H +ATOM 298 HG23 ILE 18 1.234 -4.779 9.839 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.454 -3.759 6.729 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.474 -4.169 6.539 0.00 0.00 P H +ATOM 301 HG12 ILE 18 1.834 -3.739 5.809 0.00 0.00 P H +ATOM 302 CD ILE 18 2.604 -2.289 6.999 0.00 0.00 P C +ATOM 303 HD1 ILE 18 3.224 -2.029 7.879 0.00 0.00 P H +ATOM 304 HD2 ILE 18 2.954 -1.759 6.099 0.00 0.00 P H +ATOM 305 HD3 ILE 18 1.624 -1.799 7.219 0.00 0.00 P H +ATOM 306 C ILE 18 0.384 -6.779 8.089 0.00 0.00 P C +ATOM 307 O ILE 18 0.804 -7.489 8.999 0.00 0.00 P O +ATOM 308 N LYS 19 -0.896 -6.509 7.839 0.00 0.00 P N +ATOM 309 HN LYS 19 -1.206 -5.939 7.079 0.00 0.00 P H +ATOM 310 CA LYS 19 -2.026 -7.199 8.629 0.00 0.00 P C +ATOM 311 HA LYS 19 -1.946 -8.249 8.859 0.00 0.00 P H +ATOM 312 CB LYS 19 -2.126 -6.449 9.949 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.896 -6.939 10.579 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -1.166 -6.659 10.469 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.426 -4.999 9.719 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.716 -4.279 10.179 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -2.676 -4.699 8.679 0.00 0.00 P H +ATOM 318 CD LYS 19 -3.766 -4.559 10.449 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -4.516 -5.319 10.129 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -3.556 -4.599 11.539 0.00 0.00 P H +ATOM 321 CE LYS 19 -4.386 -3.099 10.169 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -3.576 -2.469 10.579 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -4.446 -2.929 9.079 0.00 0.00 P H +ATOM 324 NZ LYS 19 -5.486 -2.719 11.019 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -5.416 -3.339 11.849 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -5.666 -1.749 11.339 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -6.386 -2.999 10.579 0.00 0.00 P H +ATOM 328 C LYS 19 -3.326 -7.059 7.789 0.00 0.00 P C +ATOM 329 O LYS 19 -3.476 -6.189 6.849 0.00 0.00 P O +ATOM 330 N ASN 20 -4.316 -7.999 8.059 0.00 0.00 P N +ATOM 331 HN ASN 20 -4.036 -8.769 8.619 0.00 0.00 P H +ATOM 332 CA ASN 20 -5.646 -7.839 7.509 0.00 0.00 P C +ATOM 333 HA ASN 20 -5.786 -7.159 6.679 0.00 0.00 P H +ATOM 334 CB ASN 20 -6.096 -9.209 7.029 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -5.906 -10.049 7.729 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -7.146 -9.119 6.689 0.00 0.00 P H +ATOM 337 CG ASN 20 -5.316 -9.629 5.759 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -4.826 -10.729 5.719 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -5.286 -8.769 4.659 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -5.146 -9.219 3.779 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -5.736 -7.879 4.619 0.00 0.00 P H +ATOM 342 C ASN 20 -6.676 -7.409 8.479 0.00 0.00 P C +ATOM 343 O ASN 20 -7.776 -7.089 8.059 0.00 0.00 P O +ATOM 344 N VAL 21 -6.396 -7.519 9.819 0.00 0.00 P N +ATOM 345 HN VAL 21 -5.456 -7.749 10.079 0.00 0.00 P H +ATOM 346 CA VAL 21 -7.396 -7.179 10.879 0.00 0.00 P C +ATOM 347 HA VAL 21 -8.236 -7.709 10.449 0.00 0.00 P H +ATOM 348 CB VAL 21 -6.826 -7.749 12.239 0.00 0.00 P C +ATOM 349 HB VAL 21 -7.286 -7.259 13.129 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -7.046 -9.329 12.169 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -6.856 -9.759 13.169 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -8.106 -9.449 11.849 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.266 -9.659 11.459 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.396 -7.379 12.359 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -4.756 -8.079 11.779 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -5.166 -6.319 12.149 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.016 -7.439 13.399 0.00 0.00 P H +ATOM 358 C VAL 21 -7.846 -5.759 10.999 0.00 0.00 P C +ATOM 359 O VAL 21 -7.276 -4.869 10.339 0.00 0.00 P O +ATOM 360 N ALA 22 -8.906 -5.519 11.769 0.00 0.00 P N +ATOM 361 HN ALA 22 -9.416 -6.289 12.149 0.00 0.00 P H +ATOM 362 CA ALA 22 -9.436 -4.259 12.089 0.00 0.00 P C +ATOM 363 HA ALA 22 -9.466 -3.719 11.149 0.00 0.00 P H +ATOM 364 CB ALA 22 -10.846 -4.299 12.609 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -11.416 -5.199 12.319 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -10.926 -4.419 13.709 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -11.456 -3.459 12.209 0.00 0.00 P H +ATOM 368 C ALA 22 -8.466 -3.409 12.959 0.00 0.00 P C +ATOM 369 O ALA 22 -7.546 -3.889 13.539 0.00 0.00 P O +ATOM 370 N ASP 23 -8.686 -2.039 13.069 0.00 0.00 P N +ATOM 371 HN ASP 23 -9.316 -1.559 12.459 0.00 0.00 P H +ATOM 372 CA ASP 23 -7.826 -1.369 14.089 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.826 -1.749 14.249 0.00 0.00 P H +ATOM 374 CB ASP 23 -7.666 0.171 13.739 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -8.616 0.651 13.409 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.266 0.821 14.549 0.00 0.00 P H +ATOM 377 CG ASP 23 -6.646 0.421 12.579 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -5.826 -0.519 12.269 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -6.666 1.551 12.069 0.00 0.00 P O +ATOM 380 C ASP 23 -8.396 -1.479 15.489 0.00 0.00 P C +ATOM 381 O ASP 23 -7.666 -1.829 16.409 0.00 0.00 P O +ATOM 382 N GLY 24 -9.696 -1.199 15.609 0.00 0.00 P N +ATOM 383 HN GLY 24 -10.176 -0.789 14.839 0.00 0.00 P H +ATOM 384 CA GLY 24 -10.556 -1.289 16.809 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -10.096 -1.689 17.699 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -10.936 -0.309 17.049 0.00 0.00 P H +ATOM 387 C GLY 24 -11.786 -2.189 16.479 0.00 0.00 P C +ATOM 388 O GLY 24 -11.706 -3.229 15.859 0.00 0.00 P O +ATOM 389 N TYR 25 -12.876 -1.749 16.969 0.00 0.00 P N +ATOM 390 HN TYR 25 -12.906 -0.929 17.539 0.00 0.00 P H +ATOM 391 CA TYR 25 -14.016 -2.539 16.979 0.00 0.00 P C +ATOM 392 HA TYR 25 -13.776 -3.589 16.909 0.00 0.00 P H +ATOM 393 CB TYR 25 -14.736 -2.439 18.329 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -15.006 -1.359 18.359 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -15.656 -3.049 18.499 0.00 0.00 P H +ATOM 396 CG TYR 25 -13.796 -2.569 19.509 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -13.666 -3.879 20.169 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -13.996 -4.849 19.809 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -13.176 -4.079 21.419 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -13.346 -5.029 21.899 0.00 0.00 P H +ATOM 401 CZ TYR 25 -12.656 -2.939 22.049 0.00 0.00 P C +ATOM 402 OH TYR 25 -12.066 -3.249 23.349 0.00 0.00 P O +ATOM 403 HH TYR 25 -11.546 -2.489 23.609 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -13.306 -1.489 20.289 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -13.306 -0.499 19.869 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -12.496 -1.689 21.469 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -12.136 -0.859 22.069 0.00 0.00 P H +ATOM 408 C TYR 25 -14.956 -2.079 15.809 0.00 0.00 P C +ATOM 409 O TYR 25 -16.146 -1.959 15.629 0.00 0.00 P O +ATOM 410 N ALA 26 -14.206 -1.549 14.799 0.00 0.00 P N +ATOM 411 HN ALA 26 -13.216 -1.599 14.759 0.00 0.00 P H +ATOM 412 CA ALA 26 -14.716 -1.239 13.519 0.00 0.00 P C +ATOM 413 HA ALA 26 -15.076 -2.149 13.069 0.00 0.00 P H +ATOM 414 CB ALA 26 -15.756 -0.009 13.379 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -16.656 -0.369 12.839 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -16.016 0.321 14.409 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -15.226 0.871 12.949 0.00 0.00 P H +ATOM 418 C ALA 26 -13.396 -1.109 12.689 0.00 0.00 P C +ATOM 419 O ALA 26 -12.286 -1.219 13.149 0.00 0.00 P O +ATOM 420 N ASN 27 -13.406 -0.999 11.349 0.00 0.00 P N +ATOM 421 HN ASN 27 -14.246 -0.659 10.939 0.00 0.00 P H +ATOM 422 CA ASN 27 -12.176 -1.139 10.519 0.00 0.00 P C +ATOM 423 HA ASN 27 -11.566 -1.899 10.989 0.00 0.00 P H +ATOM 424 CB ASN 27 -12.576 -1.539 9.129 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -11.576 -1.749 8.679 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -13.156 -2.489 9.159 0.00 0.00 P H +ATOM 427 CG ASN 27 -13.416 -0.419 8.339 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -13.626 0.661 8.739 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -13.876 -0.759 7.099 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -13.366 -1.459 6.599 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -14.556 -0.219 6.609 0.00 0.00 P H +ATOM 432 C ASN 27 -11.306 0.251 10.539 0.00 0.00 P C +ATOM 433 O ASN 27 -10.166 0.161 10.149 0.00 0.00 P O +ATOM 434 N ASN 28 -11.866 1.501 10.979 0.00 0.00 P N +ATOM 435 HN ASN 28 -12.736 1.341 11.429 0.00 0.00 P H +ATOM 436 CA ASN 28 -11.186 2.731 11.309 0.00 0.00 P C +ATOM 437 HA ASN 28 -11.926 3.431 11.659 0.00 0.00 P H +ATOM 438 CB ASN 28 -10.136 2.471 12.349 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -10.686 1.871 13.109 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -9.406 1.891 11.739 0.00 0.00 P H +ATOM 441 CG ASN 28 -9.596 3.711 12.909 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -10.136 4.821 12.859 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -8.316 3.651 13.309 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -7.986 4.261 14.029 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -7.686 2.981 12.919 0.00 0.00 P H +ATOM 446 C ASN 28 -10.656 3.481 9.999 0.00 0.00 P C +ATOM 447 O ASN 28 -9.746 4.251 9.969 0.00 0.00 P O +ATOM 448 N PHE 29 -11.386 3.201 8.929 0.00 0.00 P N +ATOM 449 HN PHE 29 -12.256 2.721 9.029 0.00 0.00 P H +ATOM 450 CA PHE 29 -10.966 3.561 7.579 0.00 0.00 P C +ATOM 451 HA PHE 29 -10.036 4.111 7.589 0.00 0.00 P H +ATOM 452 CB PHE 29 -10.966 2.261 6.639 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -10.246 1.591 7.169 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -11.956 1.781 6.479 0.00 0.00 P H +ATOM 455 CG PHE 29 -10.366 2.291 5.289 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -9.376 3.331 5.169 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -9.076 4.091 5.869 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -8.696 3.241 3.929 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -7.826 3.851 3.759 0.00 0.00 P H +ATOM 460 CZ PHE 29 -8.936 2.421 2.859 0.00 0.00 P C +ATOM 461 HZ PHE 29 -8.396 2.751 1.989 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -10.676 1.451 4.249 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -11.366 0.661 4.499 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.026 1.531 2.999 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.176 0.831 2.189 0.00 0.00 P H +ATOM 466 C PHE 29 -12.046 4.521 7.089 0.00 0.00 P C +ATOM 467 O PHE 29 -13.036 4.171 6.419 0.00 0.00 P O +ATOM 468 N LEU 30 -11.886 5.791 7.509 0.00 0.00 P N +ATOM 469 HN LEU 30 -11.196 6.121 8.149 0.00 0.00 P H +ATOM 470 CA LEU 30 -12.656 6.861 6.909 0.00 0.00 P C +ATOM 471 HA LEU 30 -13.186 6.521 6.039 0.00 0.00 P H +ATOM 472 CB LEU 30 -13.686 7.371 7.959 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -13.546 6.791 8.899 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -13.536 8.451 8.189 0.00 0.00 P H +ATOM 475 CG LEU 30 -15.056 7.181 7.549 0.00 0.00 P C +ATOM 476 HG LEU 30 -15.086 6.071 7.499 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -16.056 7.641 8.619 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -15.906 8.741 8.589 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -17.066 7.271 8.339 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -15.766 7.221 9.599 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -15.486 7.771 6.209 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -16.346 7.171 5.859 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -15.816 8.821 6.389 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -14.626 7.671 5.509 0.00 0.00 P H +ATOM 485 C LEU 30 -11.566 7.981 6.469 0.00 0.00 P C +ATOM 486 O LEU 30 -10.416 8.071 6.949 0.00 0.00 P O +ATOM 487 N PHE 31 -12.086 8.881 5.519 0.00 0.00 P N +ATOM 488 HN PHE 31 -13.036 8.841 5.199 0.00 0.00 P H +ATOM 489 CA PHE 31 -11.436 10.081 4.949 0.00 0.00 P C +ATOM 490 HA PHE 31 -10.406 9.821 5.129 0.00 0.00 P H +ATOM 491 CB PHE 31 -11.746 10.201 3.389 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -11.316 11.101 2.889 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -11.436 9.201 3.009 0.00 0.00 P H +ATOM 494 CG PHE 31 -13.216 10.301 3.099 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -13.846 11.531 3.129 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -13.216 12.401 3.049 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -15.126 11.711 2.769 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -15.566 12.691 2.849 0.00 0.00 P H +ATOM 499 CZ PHE 31 -15.906 10.631 2.689 0.00 0.00 P C +ATOM 500 HZ PHE 31 -16.976 10.731 2.689 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -14.116 9.211 2.919 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -13.856 8.171 2.979 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -15.466 9.421 2.939 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -16.116 8.571 2.869 0.00 0.00 P H +ATOM 505 C PHE 31 -11.806 11.391 5.759 0.00 0.00 P C +ATOM 506 O PHE 31 -12.706 11.521 6.499 0.00 0.00 P O +ATOM 507 N LYS 32 -11.076 12.511 5.629 0.00 0.00 P N +ATOM 508 HN LYS 32 -10.316 12.601 4.989 0.00 0.00 P H +ATOM 509 CA LYS 32 -11.416 13.731 6.309 0.00 0.00 P C +ATOM 510 HA LYS 32 -11.946 13.581 7.239 0.00 0.00 P H +ATOM 511 CB LYS 32 -10.206 14.651 6.539 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -9.726 14.871 5.559 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -10.606 15.611 6.929 0.00 0.00 P H +ATOM 514 CG LYS 32 -9.256 14.281 7.659 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -9.896 14.201 8.569 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.776 13.281 7.619 0.00 0.00 P H +ATOM 517 CD LYS 32 -8.146 15.181 7.779 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -7.456 15.041 6.919 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -8.646 16.171 7.689 0.00 0.00 P H +ATOM 520 CE LYS 32 -7.276 15.211 9.069 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -6.976 14.151 9.209 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -6.366 15.851 9.069 0.00 0.00 P H +ATOM 523 NZ LYS 32 -7.926 15.721 10.239 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -8.596 16.431 9.869 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -8.266 14.971 10.859 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -7.246 16.401 10.649 0.00 0.00 P H +ATOM 527 C LYS 32 -12.436 14.481 5.449 0.00 0.00 P C +ATOM 528 O LYS 32 -12.326 14.501 4.219 0.00 0.00 P O +ATOM 529 N GLN 33 -13.336 15.171 6.159 0.00 0.00 P N +ATOM 530 HN GLN 33 -13.506 14.901 7.109 0.00 0.00 P H +ATOM 531 CA GLN 33 -14.386 15.991 5.629 0.00 0.00 P C +ATOM 532 HA GLN 33 -14.636 16.601 6.479 0.00 0.00 P H +ATOM 533 CB GLN 33 -13.826 17.211 4.699 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -12.986 16.791 4.119 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -14.656 17.441 3.999 0.00 0.00 P H +ATOM 536 CG GLN 33 -13.316 18.561 5.459 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -12.736 18.291 6.369 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -12.646 19.041 4.719 0.00 0.00 P H +ATOM 539 CD GLN 33 -14.576 19.481 5.759 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -15.666 19.051 6.149 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -14.406 20.851 5.839 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -14.926 21.581 6.289 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -13.526 21.121 5.429 0.00 0.00 P H +ATOM 544 C GLN 33 -15.636 15.401 5.029 0.00 0.00 P C +ATOM 545 O GLN 33 -15.636 14.221 4.609 0.00 0.00 P O +ATOM 546 N GLY 34 -16.776 16.171 5.229 0.00 0.00 P N +ATOM 547 HN GLY 34 -16.786 17.081 5.609 0.00 0.00 P H +ATOM 548 CA GLY 34 -18.076 15.981 4.679 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -18.326 15.041 5.149 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -18.646 16.861 4.909 0.00 0.00 P H +ATOM 551 C GLY 34 -18.096 15.911 3.149 0.00 0.00 P C +ATOM 552 O GLY 34 -17.076 16.121 2.379 0.00 0.00 P O +ATOM 553 N LEU 35 -19.306 15.911 2.529 0.00 0.00 P N +ATOM 554 HN LEU 35 -20.226 15.781 2.899 0.00 0.00 P H +ATOM 555 CA LEU 35 -19.396 15.831 0.989 0.00 0.00 P C +ATOM 556 HA LEU 35 -18.536 16.421 0.719 0.00 0.00 P H +ATOM 557 CB LEU 35 -19.296 14.371 0.489 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -19.046 14.281 -0.591 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -18.416 13.931 1.009 0.00 0.00 P H +ATOM 560 CG LEU 35 -20.536 13.411 0.699 0.00 0.00 P C +ATOM 561 HG LEU 35 -21.066 13.751 1.609 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -21.556 13.661 -0.531 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -22.546 13.281 -0.211 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -21.736 14.741 -0.721 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -21.266 13.181 -1.491 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -19.996 11.991 0.819 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -19.586 11.781 1.829 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -20.806 11.261 0.589 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -19.176 11.941 0.069 0.00 0.00 P H +ATOM 570 C LEU 35 -20.726 16.611 0.539 0.00 0.00 P C +ATOM 571 O LEU 35 -21.716 16.641 1.129 0.00 0.00 P O +ATOM 572 N ALA 36 -20.496 17.441 -0.491 0.00 0.00 P N +ATOM 573 HN ALA 36 -19.616 17.361 -0.941 0.00 0.00 P H +ATOM 574 CA ALA 36 -21.526 18.451 -1.061 0.00 0.00 P C +ATOM 575 HA ALA 36 -22.536 18.151 -0.801 0.00 0.00 P H +ATOM 576 CB ALA 36 -21.336 19.851 -0.501 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -20.366 20.351 -0.721 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -22.186 20.531 -0.691 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -21.306 19.651 0.599 0.00 0.00 P H +ATOM 580 C ALA 36 -21.316 18.511 -2.601 0.00 0.00 P C +ATOM 581 O ALA 36 -20.256 18.161 -3.151 0.00 0.00 P O +ATOM 582 N ILE 37 -22.226 19.221 -3.391 0.00 0.00 P N +ATOM 583 HN ILE 37 -22.996 19.671 -2.951 0.00 0.00 P H +ATOM 584 CA ILE 37 -22.196 19.111 -4.741 0.00 0.00 P C +ATOM 585 HA ILE 37 -21.816 18.171 -5.101 0.00 0.00 P H +ATOM 586 CB ILE 37 -23.526 19.071 -5.241 0.00 0.00 P C +ATOM 587 HB ILE 37 -24.126 18.231 -4.821 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -24.236 20.361 -4.761 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -25.256 20.281 -5.181 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -24.446 20.251 -3.671 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -23.636 21.251 -5.061 0.00 0.00 P H +ATOM 592 CG1 ILE 37 -23.536 18.731 -6.801 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -22.956 19.491 -7.361 0.00 0.00 P H +ATOM 594 HG12 ILE 37 -22.966 17.781 -6.711 0.00 0.00 P H +ATOM 595 CD ILE 37 -24.866 18.381 -7.511 0.00 0.00 P C +ATOM 596 HD1 ILE 37 -25.506 19.211 -7.141 0.00 0.00 P H +ATOM 597 HD2 ILE 37 -24.706 18.261 -8.601 0.00 0.00 P H +ATOM 598 HD3 ILE 37 -25.216 17.411 -7.091 0.00 0.00 P H +ATOM 599 C ILE 37 -21.256 20.151 -5.321 0.00 0.00 P C +ATOM 600 O ILE 37 -20.966 21.211 -4.671 0.00 0.00 P O +ATOM 601 N GLU 38 -20.716 19.951 -6.581 0.00 0.00 P N +ATOM 602 HN GLU 38 -20.726 19.071 -7.051 0.00 0.00 P H +ATOM 603 CA GLU 38 -19.856 20.991 -7.131 0.00 0.00 P C +ATOM 604 HA GLU 38 -19.166 21.381 -6.391 0.00 0.00 P H +ATOM 605 CB GLU 38 -18.846 20.121 -8.111 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -19.606 19.511 -8.651 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -18.266 20.761 -8.811 0.00 0.00 P H +ATOM 608 CG GLU 38 -17.876 19.291 -7.251 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -17.276 19.931 -6.571 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -18.476 18.501 -6.741 0.00 0.00 P H +ATOM 611 CD GLU 38 -16.916 18.591 -8.091 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -15.726 18.351 -7.681 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -17.256 18.231 -9.301 0.00 0.00 P O +ATOM 614 C GLU 38 -20.636 22.011 -8.111 0.00 0.00 P C +ATOM 615 O GLU 38 -19.906 22.651 -8.841 0.00 0.00 P O +ATOM 616 N ALA 39 -21.926 22.131 -8.061 0.00 0.00 P N +ATOM 617 HN ALA 39 -22.416 21.631 -7.361 0.00 0.00 P H +ATOM 618 CA ALA 39 -22.626 22.891 -9.111 0.00 0.00 P C +ATOM 619 HA ALA 39 -21.976 23.361 -9.831 0.00 0.00 P H +ATOM 620 CB ALA 39 -23.696 21.981 -9.581 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -23.216 21.351 -10.361 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -24.276 21.221 -9.011 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -24.376 22.621 -10.181 0.00 0.00 P H +ATOM 624 C ALA 39 -23.296 24.201 -8.451 0.00 0.00 P C +ATOM 625 O ALA 39 -23.476 24.271 -7.231 0.00 0.00 P O +ATOM 626 NT ALA 39 -23.606 25.231 -9.221 0.00 0.00 P N +ATOM 627 HNT ALA 39 -23.276 25.161 -10.151 0.00 0.00 P H +ATOM 628 CAT ALA 39 -24.526 26.241 -9.001 0.00 0.00 P C +ATOM 629 HT1 ALA 39 -24.426 26.621 -7.961 0.00 0.00 P H +ATOM 630 HT2 ALA 39 -24.316 27.181 -9.551 0.00 0.00 P H +ATOM 631 HT3 ALA 39 -25.606 26.031 -9.191 0.00 0.00 P H +TER +ATOM 632 CLA CLA 9251 20.838 9.237 -3.895 0.00 0.00 I CL +ATOM 633 CLA CLA 9252 -23.495 -23.667 -18.264 0.00 0.00 I CL +ATOM 634 CLA CLA 9253 11.536 -3.191 16.869 0.00 0.00 I CL +ATOM 635 CLA CLA 9254 20.884 1.260 -2.048 0.00 0.00 I CL +ATOM 636 CLA CLA 9255 12.743 -22.057 -24.460 0.00 0.00 I CL +ATOM 637 CLA CLA 9256 -18.307 -11.782 12.097 0.00 0.00 I CL +ATOM 638 CLA CLA 9257 -19.319 -25.060 -19.308 0.00 0.00 I CL +ATOM 639 CLA CLA 9258 -20.347 -19.248 -4.593 0.00 0.00 I CL +ATOM 640 CLA CLA 9259 22.489 -18.017 -12.898 0.00 0.00 I CL +ATOM 641 CLA CLA 9260 -5.954 17.727 17.988 0.00 0.00 I CL +ATOM 642 SOD SOD 9261 15.134 10.360 0.475 0.00 0.00 I NA +ATOM 643 SOD SOD 9262 9.668 -14.449 -20.881 0.00 0.00 I NA +ATOM 644 SOD SOD 9263 -15.335 17.229 -9.520 0.00 0.00 I NA +ATOM 645 SOD SOD 9264 20.101 2.700 -4.255 0.00 0.00 I NA +ATOM 646 SOD SOD 9265 -22.731 -23.935 23.584 0.00 0.00 I NA +ATOM 647 SOD SOD 9266 14.783 -21.218 -19.490 0.00 0.00 I NA +ATOM 648 SOD SOD 9267 -17.410 -23.239 -13.181 0.00 0.00 I NA +CONECT 1 2 3 4 5 +CONECT 2 1 +CONECT 3 1 +CONECT 4 1 +CONECT 5 1 6 7 +CONECT 6 5 +CONECT 7 5 8 9 +CONECT 8 7 +CONECT 9 7 10 11 22 +CONECT 10 9 +CONECT 11 9 12 13 14 +CONECT 12 11 +CONECT 13 11 +CONECT 14 11 15 16 17 +CONECT 15 14 +CONECT 16 14 +CONECT 17 14 18 +CONECT 18 17 19 20 21 +CONECT 19 18 +CONECT 20 18 +CONECT 21 18 +CONECT 22 9 23 24 +CONECT 23 22 +CONECT 24 22 25 26 +CONECT 25 24 +CONECT 26 24 27 28 44 +CONECT 27 26 +CONECT 28 26 29 30 31 +CONECT 29 28 +CONECT 30 28 +CONECT 31 28 32 33 34 +CONECT 32 31 +CONECT 33 31 +CONECT 34 31 35 36 37 +CONECT 35 34 +CONECT 36 34 +CONECT 37 34 38 39 40 +CONECT 38 37 +CONECT 39 37 +CONECT 40 37 41 42 43 +CONECT 41 40 +CONECT 42 40 +CONECT 43 40 +CONECT 44 26 45 46 +CONECT 45 44 +CONECT 46 44 47 48 +CONECT 47 46 +CONECT 48 46 49 50 60 +CONECT 49 48 +CONECT 50 48 51 52 56 +CONECT 51 50 +CONECT 52 50 53 54 55 +CONECT 53 52 +CONECT 54 52 +CONECT 55 52 +CONECT 56 50 57 58 59 +CONECT 57 56 +CONECT 58 56 +CONECT 59 56 +CONECT 60 48 61 62 +CONECT 61 60 +CONECT 62 60 63 64 +CONECT 63 62 +CONECT 64 62 65 66 79 +CONECT 65 64 +CONECT 66 64 67 68 72 +CONECT 67 66 +CONECT 68 66 69 70 71 +CONECT 69 68 +CONECT 70 68 +CONECT 71 68 +CONECT 72 66 73 74 75 +CONECT 73 72 +CONECT 74 72 +CONECT 75 72 76 77 78 +CONECT 76 75 +CONECT 77 75 +CONECT 78 75 +CONECT 79 64 80 81 +CONECT 80 79 +CONECT 81 79 82 83 +CONECT 82 81 +CONECT 83 81 84 85 99 +CONECT 84 83 +CONECT 85 83 86 87 88 +CONECT 86 85 +CONECT 87 85 +CONECT 88 85 89 95 +CONECT 89 88 90 91 +CONECT 90 89 +CONECT 91 89 92 93 +CONECT 92 91 +CONECT 93 91 94 97 +CONECT 94 93 +CONECT 95 88 96 97 +CONECT 96 95 +CONECT 97 93 95 98 +CONECT 98 97 +CONECT 99 83 100 101 +CONECT 100 99 +CONECT 101 99 102 103 +CONECT 102 101 +CONECT 103 101 104 105 118 +CONECT 104 103 +CONECT 105 103 106 107 108 +CONECT 106 105 +CONECT 107 105 +CONECT 108 105 109 110 114 +CONECT 109 108 +CONECT 110 108 111 112 113 +CONECT 111 110 +CONECT 112 110 +CONECT 113 110 +CONECT 114 108 115 116 117 +CONECT 115 114 +CONECT 116 114 +CONECT 117 114 +CONECT 118 103 119 120 +CONECT 119 118 +CONECT 120 118 121 122 +CONECT 121 120 +CONECT 122 120 123 124 140 +CONECT 123 122 +CONECT 124 122 125 126 127 +CONECT 125 124 +CONECT 126 124 +CONECT 127 124 128 129 130 +CONECT 128 127 +CONECT 129 127 +CONECT 130 127 131 132 133 +CONECT 131 130 +CONECT 132 130 +CONECT 133 130 134 135 136 +CONECT 134 133 +CONECT 135 133 +CONECT 136 133 137 138 139 +CONECT 137 136 +CONECT 138 136 +CONECT 139 136 +CONECT 140 122 141 142 +CONECT 141 140 +CONECT 142 140 143 144 +CONECT 143 142 +CONECT 144 142 145 146 152 +CONECT 145 144 +CONECT 146 144 147 148 149 +CONECT 147 146 +CONECT 148 146 +CONECT 149 146 150 151 +CONECT 150 149 +CONECT 151 149 +CONECT 152 144 153 154 +CONECT 153 152 +CONECT 154 152 155 156 +CONECT 155 154 +CONECT 156 154 157 158 168 +CONECT 157 156 +CONECT 158 156 159 160 164 +CONECT 159 158 +CONECT 160 158 161 162 163 +CONECT 161 160 +CONECT 162 160 +CONECT 163 160 +CONECT 164 158 165 166 167 +CONECT 165 164 +CONECT 166 164 +CONECT 167 164 +CONECT 168 156 169 170 +CONECT 169 168 +CONECT 170 168 171 172 +CONECT 171 170 +CONECT 172 170 173 174 190 +CONECT 173 172 +CONECT 174 172 175 176 177 +CONECT 175 174 +CONECT 176 174 +CONECT 177 174 178 179 180 +CONECT 178 177 +CONECT 179 177 +CONECT 180 177 181 182 183 +CONECT 181 180 +CONECT 182 180 +CONECT 183 180 184 185 186 +CONECT 184 183 +CONECT 185 183 +CONECT 186 183 187 188 189 +CONECT 187 186 +CONECT 188 186 +CONECT 189 186 +CONECT 190 172 191 192 +CONECT 191 190 +CONECT 192 190 193 194 +CONECT 193 192 +CONECT 194 192 195 196 197 +CONECT 195 194 +CONECT 196 194 +CONECT 197 194 198 199 +CONECT 198 197 +CONECT 199 197 200 201 +CONECT 200 199 +CONECT 201 199 202 203 214 +CONECT 202 201 +CONECT 203 201 204 205 206 +CONECT 204 203 +CONECT 205 203 +CONECT 206 203 207 208 209 +CONECT 207 206 +CONECT 208 206 +CONECT 209 206 210 +CONECT 210 209 211 212 213 +CONECT 211 210 +CONECT 212 210 +CONECT 213 210 +CONECT 214 201 215 216 +CONECT 215 214 +CONECT 216 214 217 218 +CONECT 217 216 +CONECT 218 216 219 220 221 +CONECT 219 218 +CONECT 220 218 +CONECT 221 218 222 223 +CONECT 222 221 +CONECT 223 221 224 225 +CONECT 224 223 +CONECT 225 223 226 227 243 +CONECT 226 225 +CONECT 227 225 228 229 230 +CONECT 228 227 +CONECT 229 227 +CONECT 230 227 231 232 233 +CONECT 231 230 +CONECT 232 230 +CONECT 233 230 234 235 236 +CONECT 234 233 +CONECT 235 233 +CONECT 236 233 237 238 239 +CONECT 237 236 +CONECT 238 236 +CONECT 239 236 240 241 242 +CONECT 240 239 +CONECT 241 239 +CONECT 242 239 +CONECT 243 225 244 245 +CONECT 244 243 +CONECT 245 243 246 247 +CONECT 246 245 +CONECT 247 245 248 249 265 +CONECT 248 247 +CONECT 249 247 250 251 252 +CONECT 250 249 +CONECT 251 249 +CONECT 252 249 253 254 255 +CONECT 253 252 +CONECT 254 252 +CONECT 255 252 256 257 258 +CONECT 256 255 +CONECT 257 255 +CONECT 258 255 259 260 261 +CONECT 259 258 +CONECT 260 258 +CONECT 261 258 262 263 264 +CONECT 262 261 +CONECT 263 261 +CONECT 264 261 +CONECT 265 247 266 267 +CONECT 266 265 +CONECT 267 265 268 269 +CONECT 268 267 +CONECT 269 267 270 271 272 +CONECT 270 269 +CONECT 271 269 +CONECT 272 269 273 274 +CONECT 273 272 +CONECT 274 272 275 276 +CONECT 275 274 +CONECT 276 274 277 278 287 +CONECT 277 276 +CONECT 278 276 279 280 281 +CONECT 279 278 +CONECT 280 278 +CONECT 281 278 282 283 284 +CONECT 282 281 +CONECT 283 281 +CONECT 284 281 285 286 +CONECT 285 284 +CONECT 286 284 +CONECT 287 276 288 289 +CONECT 288 287 +CONECT 289 287 290 291 +CONECT 290 289 +CONECT 291 289 292 293 306 +CONECT 292 291 +CONECT 293 291 294 295 299 +CONECT 294 293 +CONECT 295 293 296 297 298 +CONECT 296 295 +CONECT 297 295 +CONECT 298 295 +CONECT 299 293 300 301 302 +CONECT 300 299 +CONECT 301 299 +CONECT 302 299 303 304 305 +CONECT 303 302 +CONECT 304 302 +CONECT 305 302 +CONECT 306 291 307 308 +CONECT 307 306 +CONECT 308 306 309 310 +CONECT 309 308 +CONECT 310 308 311 312 328 +CONECT 311 310 +CONECT 312 310 313 314 315 +CONECT 313 312 +CONECT 314 312 +CONECT 315 312 316 317 318 +CONECT 316 315 +CONECT 317 315 +CONECT 318 315 319 320 321 +CONECT 319 318 +CONECT 320 318 +CONECT 321 318 322 323 324 +CONECT 322 321 +CONECT 323 321 +CONECT 324 321 325 326 327 +CONECT 325 324 +CONECT 326 324 +CONECT 327 324 +CONECT 328 310 329 330 +CONECT 329 328 +CONECT 330 328 331 332 +CONECT 331 330 +CONECT 332 330 333 334 342 +CONECT 333 332 +CONECT 334 332 335 336 337 +CONECT 335 334 +CONECT 336 334 +CONECT 337 334 338 339 +CONECT 338 337 +CONECT 339 337 340 341 +CONECT 340 339 +CONECT 341 339 +CONECT 342 332 343 344 +CONECT 343 342 +CONECT 344 342 345 346 +CONECT 345 344 +CONECT 346 344 347 348 358 +CONECT 347 346 +CONECT 348 346 349 350 354 +CONECT 349 348 +CONECT 350 348 351 352 353 +CONECT 351 350 +CONECT 352 350 +CONECT 353 350 +CONECT 354 348 355 356 357 +CONECT 355 354 +CONECT 356 354 +CONECT 357 354 +CONECT 358 346 359 360 +CONECT 359 358 +CONECT 360 358 361 362 +CONECT 361 360 +CONECT 362 360 363 364 368 +CONECT 363 362 +CONECT 364 362 365 366 367 +CONECT 365 364 +CONECT 366 364 +CONECT 367 364 +CONECT 368 362 369 370 +CONECT 369 368 +CONECT 370 368 371 372 +CONECT 371 370 +CONECT 372 370 373 374 380 +CONECT 373 372 +CONECT 374 372 375 376 377 +CONECT 375 374 +CONECT 376 374 +CONECT 377 374 378 379 +CONECT 378 377 +CONECT 379 377 +CONECT 380 372 381 382 +CONECT 381 380 +CONECT 382 380 383 384 +CONECT 383 382 +CONECT 384 382 385 386 387 +CONECT 385 384 +CONECT 386 384 +CONECT 387 384 388 389 +CONECT 388 387 +CONECT 389 387 390 391 +CONECT 390 389 +CONECT 391 389 392 393 408 +CONECT 392 391 +CONECT 393 391 394 395 396 +CONECT 394 393 +CONECT 395 393 +CONECT 396 393 397 404 +CONECT 397 396 398 399 +CONECT 398 397 +CONECT 399 397 400 401 +CONECT 400 399 +CONECT 401 399 402 406 +CONECT 402 401 403 +CONECT 403 402 +CONECT 404 396 405 406 +CONECT 405 404 +CONECT 406 401 404 407 +CONECT 407 406 +CONECT 408 391 409 410 +CONECT 409 408 +CONECT 410 408 411 412 +CONECT 411 410 +CONECT 412 410 413 414 418 +CONECT 413 412 +CONECT 414 412 415 416 417 +CONECT 415 414 +CONECT 416 414 +CONECT 417 414 +CONECT 418 412 419 420 +CONECT 419 418 +CONECT 420 418 421 422 +CONECT 421 420 +CONECT 422 420 423 424 432 +CONECT 423 422 +CONECT 424 422 425 426 427 +CONECT 425 424 +CONECT 426 424 +CONECT 427 424 428 429 +CONECT 428 427 +CONECT 429 427 430 431 +CONECT 430 429 +CONECT 431 429 +CONECT 432 422 433 434 +CONECT 433 432 +CONECT 434 432 435 436 +CONECT 435 434 +CONECT 436 434 437 438 446 +CONECT 437 436 +CONECT 438 436 439 440 441 +CONECT 439 438 +CONECT 440 438 +CONECT 441 438 442 443 +CONECT 442 441 +CONECT 443 441 444 445 +CONECT 444 443 +CONECT 445 443 +CONECT 446 436 447 448 +CONECT 447 446 +CONECT 448 446 449 450 +CONECT 449 448 +CONECT 450 448 451 452 466 +CONECT 451 450 +CONECT 452 450 453 454 455 +CONECT 453 452 +CONECT 454 452 +CONECT 455 452 456 462 +CONECT 456 455 457 458 +CONECT 457 456 +CONECT 458 456 459 460 +CONECT 459 458 +CONECT 460 458 461 464 +CONECT 461 460 +CONECT 462 455 463 464 +CONECT 463 462 +CONECT 464 460 462 465 +CONECT 465 464 +CONECT 466 450 467 468 +CONECT 467 466 +CONECT 468 466 469 470 +CONECT 469 468 +CONECT 470 468 471 472 485 +CONECT 471 470 +CONECT 472 470 473 474 475 +CONECT 473 472 +CONECT 474 472 +CONECT 475 472 476 477 481 +CONECT 476 475 +CONECT 477 475 478 479 480 +CONECT 478 477 +CONECT 479 477 +CONECT 480 477 +CONECT 481 475 482 483 484 +CONECT 482 481 +CONECT 483 481 +CONECT 484 481 +CONECT 485 470 486 487 +CONECT 486 485 +CONECT 487 485 488 489 +CONECT 488 487 +CONECT 489 487 490 491 505 +CONECT 490 489 +CONECT 491 489 492 493 494 +CONECT 492 491 +CONECT 493 491 +CONECT 494 491 495 501 +CONECT 495 494 496 497 +CONECT 496 495 +CONECT 497 495 498 499 +CONECT 498 497 +CONECT 499 497 500 503 +CONECT 500 499 +CONECT 501 494 502 503 +CONECT 502 501 +CONECT 503 499 501 504 +CONECT 504 503 +CONECT 505 489 506 507 +CONECT 506 505 +CONECT 507 505 508 509 +CONECT 508 507 +CONECT 509 507 510 511 527 +CONECT 510 509 +CONECT 511 509 512 513 514 +CONECT 512 511 +CONECT 513 511 +CONECT 514 511 515 516 517 +CONECT 515 514 +CONECT 516 514 +CONECT 517 514 518 519 520 +CONECT 518 517 +CONECT 519 517 +CONECT 520 517 521 522 523 +CONECT 521 520 +CONECT 522 520 +CONECT 523 520 524 525 526 +CONECT 524 523 +CONECT 525 523 +CONECT 526 523 +CONECT 527 509 528 529 +CONECT 528 527 +CONECT 529 527 530 531 +CONECT 530 529 +CONECT 531 529 532 533 544 +CONECT 532 531 +CONECT 533 531 534 535 536 +CONECT 534 533 +CONECT 535 533 +CONECT 536 533 537 538 539 +CONECT 537 536 +CONECT 538 536 +CONECT 539 536 540 541 +CONECT 540 539 +CONECT 541 539 542 543 +CONECT 542 541 +CONECT 543 541 +CONECT 544 531 545 546 +CONECT 545 544 +CONECT 546 544 547 548 +CONECT 547 546 +CONECT 548 546 549 550 551 +CONECT 549 548 +CONECT 550 548 +CONECT 551 548 552 553 +CONECT 552 551 +CONECT 553 551 554 555 +CONECT 554 553 +CONECT 555 553 556 557 570 +CONECT 556 555 +CONECT 557 555 558 559 560 +CONECT 558 557 +CONECT 559 557 +CONECT 560 557 561 562 566 +CONECT 561 560 +CONECT 562 560 563 564 565 +CONECT 563 562 +CONECT 564 562 +CONECT 565 562 +CONECT 566 560 567 568 569 +CONECT 567 566 +CONECT 568 566 +CONECT 569 566 +CONECT 570 555 571 572 +CONECT 571 570 +CONECT 572 570 573 574 +CONECT 573 572 +CONECT 574 572 575 576 580 +CONECT 575 574 +CONECT 576 574 577 578 579 +CONECT 577 576 +CONECT 578 576 +CONECT 579 576 +CONECT 580 574 581 582 +CONECT 581 580 +CONECT 582 580 583 584 +CONECT 583 582 +CONECT 584 582 585 586 599 +CONECT 585 584 +CONECT 586 584 587 588 592 +CONECT 587 586 +CONECT 588 586 589 590 591 +CONECT 589 588 +CONECT 590 588 +CONECT 591 588 +CONECT 592 586 593 594 595 +CONECT 593 592 +CONECT 594 592 +CONECT 595 592 596 597 598 +CONECT 596 595 +CONECT 597 595 +CONECT 598 595 +CONECT 599 584 600 601 +CONECT 600 599 +CONECT 601 599 602 603 +CONECT 602 601 +CONECT 603 601 604 605 614 +CONECT 604 603 +CONECT 605 603 606 607 608 +CONECT 606 605 +CONECT 607 605 +CONECT 608 605 609 610 611 +CONECT 609 608 +CONECT 610 608 +CONECT 611 608 612 613 +CONECT 612 611 +CONECT 613 611 +CONECT 614 603 615 616 +CONECT 615 614 +CONECT 616 614 617 618 +CONECT 617 616 +CONECT 618 616 619 620 624 +CONECT 619 618 +CONECT 620 618 621 622 623 +CONECT 621 620 +CONECT 622 620 +CONECT 623 620 +CONECT 624 618 625 626 +CONECT 625 624 +CONECT 626 624 627 628 +CONECT 627 626 +CONECT 628 626 629 630 631 +CONECT 629 628 +CONECT 630 628 +CONECT 631 628 +ENDMDL +END diff --git a/adaptivemd/filtered/filtered.psf b/adaptivemd/filtered/filtered.psf new file mode 100644 index 0000000..13d807e --- /dev/null +++ b/adaptivemd/filtered/filtered.psf @@ -0,0 +1,2100 @@ +PSF NAMD + + 0 !NTITLE + + 648 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 11324 I 9251 CLA CLA CLA -1.000000 35.4500 0 + 11325 I 9252 CLA CLA CLA -1.000000 35.4500 0 + 11326 I 9253 CLA CLA CLA -1.000000 35.4500 0 + 11327 I 9254 CLA CLA CLA -1.000000 35.4500 0 + 11328 I 9255 CLA CLA CLA -1.000000 35.4500 0 + 11329 I 9256 CLA CLA CLA -1.000000 35.4500 0 + 11330 I 9257 CLA CLA CLA -1.000000 35.4500 0 + 11331 I 9258 CLA CLA CLA -1.000000 35.4500 0 + 11332 I 9259 CLA CLA CLA -1.000000 35.4500 0 + 11333 I 9260 CLA CLA CLA -1.000000 35.4500 0 + 11334 I 9261 SOD SOD SOD 1.000000 22.9898 0 + 11335 I 9262 SOD SOD SOD 1.000000 22.9898 0 + 11336 I 9263 SOD SOD SOD 1.000000 22.9898 0 + 11337 I 9264 SOD SOD SOD 1.000000 22.9898 0 + 11338 I 9265 SOD SOD SOD 1.000000 22.9898 0 + 11339 I 9266 SOD SOD SOD 1.000000 22.9898 0 + 11340 I 9267 SOD SOD SOD 1.000000 22.9898 0 + + + + 634 !NBOND: bonds + 1 2 1 3 1 4 5 1 + 5 7 6 5 7 8 7 9 + 9 10 11 9 11 12 11 13 + 14 11 14 15 14 16 17 14 + 18 17 18 19 18 20 18 21 + 22 9 22 24 23 22 24 25 + 24 26 26 27 28 26 28 29 + 28 30 31 28 31 32 31 33 + 34 31 34 35 34 36 37 34 + 37 38 37 39 40 37 40 41 + 40 42 40 43 44 26 44 46 + 45 44 46 47 46 48 48 49 + 50 48 50 51 52 50 52 53 + 52 54 52 55 56 50 56 57 + 56 58 56 59 60 48 60 62 + 61 60 62 63 62 64 64 65 + 66 64 66 67 68 66 68 69 + 68 70 68 71 72 66 72 73 + 72 74 75 72 75 76 75 77 + 75 78 79 64 79 81 80 79 + 81 82 81 83 83 84 85 83 + 85 86 85 87 88 85 89 90 + 89 88 91 89 91 92 93 97 + 93 91 93 94 95 88 95 96 + 97 95 97 98 99 83 99 101 + 100 99 101 102 101 103 103 104 + 105 103 105 106 105 107 108 105 + 108 109 110 108 110 111 110 112 + 110 113 114 108 114 115 114 116 + 114 117 118 103 118 120 119 118 + 120 121 120 122 122 123 124 122 + 124 125 124 126 127 124 127 128 + 127 129 130 127 130 131 130 132 + 133 130 133 134 133 135 136 133 + 136 137 136 138 136 139 140 122 + 140 142 141 140 142 143 142 144 + 144 145 146 144 146 147 146 148 + 149 146 149 150 151 149 152 144 + 152 154 153 152 154 155 154 156 + 156 157 158 156 158 159 160 158 + 160 161 160 162 160 163 164 158 + 164 165 164 166 164 167 168 156 + 168 170 169 168 170 171 170 172 + 172 173 174 172 174 175 174 176 + 177 174 177 178 177 179 180 177 + 180 181 180 182 183 180 183 184 + 183 185 186 183 186 187 186 188 + 186 189 190 172 190 192 191 190 + 192 193 192 194 194 195 194 196 + 197 194 197 199 198 197 199 200 + 199 201 201 202 203 201 203 204 + 203 205 206 203 206 207 206 208 + 209 206 210 209 210 211 210 212 + 210 213 214 201 214 216 215 214 + 216 217 216 218 218 219 218 220 + 221 218 221 223 222 221 223 224 + 223 225 225 226 227 225 227 228 + 227 229 230 227 230 231 230 232 + 233 230 233 234 233 235 236 233 + 236 237 236 238 239 236 239 240 + 239 241 239 242 243 225 243 245 + 244 243 245 246 245 247 247 248 + 249 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582 580 584 583 599 584 601 600 + 601 599 603 602 611 608 613 612 + 614 603 616 615 616 614 618 617 + 624 618 626 625 626 624 628 627 + + + 0 !NDON: donors + + 0 !NACC: acceptors + + 0 !NNB + + + 0 0 !NGRP + diff --git a/adaptivemd/generators/ntl9_1ns_0/input b/adaptivemd/generators/ntl9_1ns_0/input new file mode 100644 index 0000000..3a90054 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_0/input @@ -0,0 +1,18 @@ +bincoordinates input.coor +coordinates structure.pdb +cutoff 9 +extendedsystem input.xsc +thermostat on +thermostatdamping 0.1 +thermostattemp 350 +parameters parameters +pme on +restart on +structure structure.psf +switchdist 7.5 +switching on +temperature 350 +timestep 4 +trajectoryfile output.xtc +trajectoryperiod 25000 +run 250000 diff --git a/adaptivemd/generators/ntl9_1ns_0/input.coor b/adaptivemd/generators/ntl9_1ns_0/input.coor new file mode 100644 index 0000000..9b953c0 Binary files /dev/null and b/adaptivemd/generators/ntl9_1ns_0/input.coor differ diff --git a/adaptivemd/generators/ntl9_1ns_0/input.xsc b/adaptivemd/generators/ntl9_1ns_0/input.xsc new file mode 100644 index 0000000..5a9cda3 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_0/input.xsc @@ -0,0 +1,3 @@ +# Extended system configuration restart file +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z s_x s_y s_z s_u s_v s_w +10000000 5.048889e+01 0 0 0 5.049091e+01 0 0 0 5.041617e+01 0 0 0 0 0 0 0 0 0 diff --git a/adaptivemd/generators/ntl9_1ns_0/parameters b/adaptivemd/generators/ntl9_1ns_0/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_0/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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-5.744830 +-5.390070 -4.783930 -4.190630 -4.115420 -4.042280 +-4.125570 -4.028550 -4.026100 -2.937910 + +!165 +-0.810590 -0.071500 0.378890 0.543310 1.277880 +1.641310 1.698840 1.519950 0.631950 -1.088670 +-2.736530 -0.735240 -4.563830 -6.408350 -5.889450 +-5.141750 -4.194970 -3.666490 -3.843450 -3.818830 +-3.826180 -3.596820 -2.994790 -2.231020 + +! alanine before proline map +C NH1 CT1 C NH1 CT1 C N 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 3.451510 +3.319160 3.052900 3.873720 2.420650 0.949100 +0.008370 -1.382980 -2.138930 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/generators/ntl9_1ns_0/run.sh b/adaptivemd/generators/ntl9_1ns_0/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_0/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/generators/ntl9_1ns_0/structure.pdb b/adaptivemd/generators/ntl9_1ns_0/structure.pdb new file mode 100644 index 0000000..2b58bb1 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_0/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 20.934 -3.579 -22.871 0.00 0.00 P C +ATOM 2 HY1 MET 1 21.144 -3.509 -23.961 0.00 0.00 P H +ATOM 3 HY2 MET 1 21.914 -3.329 -22.401 0.00 0.00 P H +ATOM 4 HY3 MET 1 20.444 -2.589 -22.751 0.00 0.00 P H +ATOM 5 CY MET 1 20.224 -4.549 -22.191 0.00 0.00 P C +ATOM 6 OY MET 1 20.514 -4.819 -21.051 0.00 0.00 P O +ATOM 7 N MET 1 19.144 -5.189 -22.741 0.00 0.00 P N +ATOM 8 HN MET 1 19.034 -5.109 -23.731 0.00 0.00 P H +ATOM 9 CA MET 1 18.264 -6.069 -22.101 0.00 0.00 P C +ATOM 10 HA MET 1 17.734 -5.469 -21.381 0.00 0.00 P H +ATOM 11 CB MET 1 17.044 -6.279 -23.061 0.00 0.00 P C +ATOM 12 HB1 MET 1 16.134 -6.399 -22.441 0.00 0.00 P H +ATOM 13 HB2 MET 1 16.934 -5.329 -23.631 0.00 0.00 P H +ATOM 14 CG MET 1 17.264 -7.469 -24.081 0.00 0.00 P C +ATOM 15 HG1 MET 1 18.144 -7.269 -24.721 0.00 0.00 P H +ATOM 16 HG2 MET 1 17.514 -8.429 -23.571 0.00 0.00 P H +ATOM 17 SD MET 1 15.784 -7.699 -25.041 0.00 0.00 P S +ATOM 18 CE MET 1 14.644 -8.859 -24.111 0.00 0.00 P C +ATOM 19 HE1 MET 1 14.444 -9.609 -24.911 0.00 0.00 P H +ATOM 20 HE2 MET 1 15.174 -9.459 -23.341 0.00 0.00 P H +ATOM 21 HE3 MET 1 13.714 -8.399 -23.701 0.00 0.00 P H +ATOM 22 C MET 1 18.874 -7.309 -21.501 0.00 0.00 P C +ATOM 23 O MET 1 18.494 -7.699 -20.441 0.00 0.00 P O +ATOM 24 N LYS 2 20.034 -7.889 -21.991 0.00 0.00 P N +ATOM 25 HN LYS 2 20.404 -7.509 -22.831 0.00 0.00 P H +ATOM 26 CA LYS 2 20.924 -8.789 -21.251 0.00 0.00 P C +ATOM 27 HA LYS 2 20.134 -9.499 -21.031 0.00 0.00 P H +ATOM 28 CB LYS 2 21.984 -9.429 -22.211 0.00 0.00 P C +ATOM 29 HB1 LYS 2 21.644 -9.469 -23.271 0.00 0.00 P H +ATOM 30 HB2 LYS 2 22.844 -8.729 -22.321 0.00 0.00 P H +ATOM 31 CG LYS 2 22.574 -10.719 -21.791 0.00 0.00 P C +ATOM 32 HG1 LYS 2 23.174 -11.079 -22.661 0.00 0.00 P H +ATOM 33 HG2 LYS 2 23.314 -10.499 -20.991 0.00 0.00 P H +ATOM 34 CD LYS 2 21.694 -11.839 -21.381 0.00 0.00 P C +ATOM 35 HD1 LYS 2 22.354 -12.449 -20.731 0.00 0.00 P H +ATOM 36 HD2 LYS 2 20.914 -11.519 -20.661 0.00 0.00 P H +ATOM 37 CE LYS 2 21.074 -12.509 -22.601 0.00 0.00 P C +ATOM 38 HE1 LYS 2 20.504 -11.679 -23.081 0.00 0.00 P H +ATOM 39 HE2 LYS 2 21.724 -12.879 -23.411 0.00 0.00 P H +ATOM 40 NZ LYS 2 20.284 -13.689 -22.301 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 20.844 -14.559 -22.171 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 19.604 -13.669 -21.521 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 19.804 -13.949 -23.191 0.00 0.00 P H +ATOM 44 C LYS 2 21.614 -8.249 -19.941 0.00 0.00 P C +ATOM 45 O LYS 2 22.034 -9.059 -19.171 0.00 0.00 P O +ATOM 46 N VAL 3 21.594 -6.939 -19.711 0.00 0.00 P N +ATOM 47 HN VAL 3 21.104 -6.299 -20.301 0.00 0.00 P H +ATOM 48 CA VAL 3 22.524 -6.319 -18.801 0.00 0.00 P C +ATOM 49 HA VAL 3 23.234 -6.999 -18.341 0.00 0.00 P H +ATOM 50 CB VAL 3 23.524 -5.379 -19.631 0.00 0.00 P C +ATOM 51 HB VAL 3 22.974 -4.439 -19.841 0.00 0.00 P H +ATOM 52 CG1 VAL 3 24.824 -4.979 -19.001 0.00 0.00 P C +ATOM 53 HG11 VAL 3 25.444 -5.899 -18.921 0.00 0.00 P H +ATOM 54 HG12 VAL 3 25.304 -4.269 -19.711 0.00 0.00 P H +ATOM 55 HG13 VAL 3 24.764 -4.529 -17.991 0.00 0.00 P H +ATOM 56 CG2 VAL 3 23.814 -5.999 -21.071 0.00 0.00 P C +ATOM 57 HG21 VAL 3 22.924 -5.949 -21.741 0.00 0.00 P H +ATOM 58 HG22 VAL 3 24.654 -5.429 -21.511 0.00 0.00 P H +ATOM 59 HG23 VAL 3 24.334 -6.989 -21.051 0.00 0.00 P H +ATOM 60 C VAL 3 21.694 -5.559 -17.761 0.00 0.00 P C +ATOM 61 O VAL 3 22.124 -4.539 -17.261 0.00 0.00 P O +ATOM 62 N ILE 4 20.494 -6.079 -17.341 0.00 0.00 P N +ATOM 63 HN ILE 4 20.064 -6.919 -17.651 0.00 0.00 P H +ATOM 64 CA ILE 4 19.584 -5.459 -16.371 0.00 0.00 P C +ATOM 65 HA ILE 4 19.114 -4.609 -16.831 0.00 0.00 P H +ATOM 66 CB ILE 4 18.384 -6.349 -15.991 0.00 0.00 P C +ATOM 67 HB ILE 4 18.414 -6.959 -15.061 0.00 0.00 P H +ATOM 68 CG2 ILE 4 17.224 -5.349 -15.661 0.00 0.00 P C +ATOM 69 HG21 ILE 4 17.584 -4.609 -14.901 0.00 0.00 P H +ATOM 70 HG22 ILE 4 17.024 -4.679 -16.521 0.00 0.00 P H +ATOM 71 HG23 ILE 4 16.204 -5.679 -15.351 0.00 0.00 P H +ATOM 72 CG1 ILE 4 17.974 -7.409 -17.111 0.00 0.00 P C +ATOM 73 HG11 ILE 4 17.844 -6.949 -18.121 0.00 0.00 P H +ATOM 74 HG12 ILE 4 18.814 -8.139 -17.131 0.00 0.00 P H +ATOM 75 CD ILE 4 16.574 -8.089 -17.001 0.00 0.00 P C +ATOM 76 HD1 ILE 4 16.414 -8.599 -16.031 0.00 0.00 P H +ATOM 77 HD2 ILE 4 15.804 -7.309 -17.211 0.00 0.00 P H +ATOM 78 HD3 ILE 4 16.504 -8.699 -17.931 0.00 0.00 P H +ATOM 79 C ILE 4 20.114 -5.049 -15.091 0.00 0.00 P C +ATOM 80 O ILE 4 20.784 -5.859 -14.531 0.00 0.00 P O +ATOM 81 N PHE 5 19.904 -3.819 -14.641 0.00 0.00 P N +ATOM 82 HN PHE 5 19.384 -3.069 -15.051 0.00 0.00 P H +ATOM 83 CA PHE 5 20.774 -3.379 -13.481 0.00 0.00 P C +ATOM 84 HA PHE 5 21.744 -3.839 -13.641 0.00 0.00 P H +ATOM 85 CB PHE 5 20.924 -1.779 -13.521 0.00 0.00 P C +ATOM 86 HB1 PHE 5 19.884 -1.409 -13.401 0.00 0.00 P H +ATOM 87 HB2 PHE 5 21.694 -1.519 -12.761 0.00 0.00 P H +ATOM 88 CG PHE 5 21.544 -1.199 -14.811 0.00 0.00 P C +ATOM 89 CD1 PHE 5 22.664 -1.869 -15.301 0.00 0.00 P C +ATOM 90 HD1 PHE 5 23.044 -2.709 -14.741 0.00 0.00 P H +ATOM 91 CE1 PHE 5 22.974 -1.759 -16.671 0.00 0.00 P C +ATOM 92 HE1 PHE 5 23.744 -2.419 -17.051 0.00 0.00 P H +ATOM 93 CZ PHE 5 22.244 -0.929 -17.531 0.00 0.00 P C +ATOM 94 HZ PHE 5 22.374 -0.729 -18.581 0.00 0.00 P H +ATOM 95 CD2 PHE 5 20.874 -0.339 -15.631 0.00 0.00 P C +ATOM 96 HD2 PHE 5 19.854 -0.019 -15.461 0.00 0.00 P H +ATOM 97 CE2 PHE 5 21.174 -0.239 -16.971 0.00 0.00 P C +ATOM 98 HE2 PHE 5 20.564 0.491 -17.491 0.00 0.00 P H +ATOM 99 C PHE 5 20.204 -3.859 -12.141 0.00 0.00 P C +ATOM 100 O PHE 5 20.884 -3.889 -11.141 0.00 0.00 P O +ATOM 101 N LEU 6 18.934 -4.359 -12.081 0.00 0.00 P N +ATOM 102 HN LEU 6 18.334 -4.459 -12.871 0.00 0.00 P H +ATOM 103 CA LEU 6 18.184 -4.959 -10.931 0.00 0.00 P C +ATOM 104 HA LEU 6 18.714 -4.809 -10.001 0.00 0.00 P H +ATOM 105 CB LEU 6 16.784 -4.319 -10.721 0.00 0.00 P C +ATOM 106 HB1 LEU 6 16.074 -4.489 -11.561 0.00 0.00 P H +ATOM 107 HB2 LEU 6 16.354 -4.769 -9.801 0.00 0.00 P H +ATOM 108 CG LEU 6 16.724 -2.749 -10.541 0.00 0.00 P C +ATOM 109 HG LEU 6 17.164 -2.219 -11.411 0.00 0.00 P H +ATOM 110 CD1 LEU 6 15.264 -2.259 -10.461 0.00 0.00 P C +ATOM 111 HD11 LEU 6 14.654 -2.779 -9.691 0.00 0.00 P H +ATOM 112 HD12 LEU 6 14.934 -1.209 -10.451 0.00 0.00 P H +ATOM 113 HD13 LEU 6 14.784 -2.519 -11.421 0.00 0.00 P H +ATOM 114 CD2 LEU 6 17.694 -2.319 -9.291 0.00 0.00 P C +ATOM 115 HD21 LEU 6 18.744 -2.599 -9.491 0.00 0.00 P H +ATOM 116 HD22 LEU 6 17.534 -1.229 -9.181 0.00 0.00 P H +ATOM 117 HD23 LEU 6 17.414 -2.919 -8.391 0.00 0.00 P H +ATOM 118 C LEU 6 18.114 -6.409 -11.051 0.00 0.00 P C +ATOM 119 O LEU 6 17.914 -6.759 -12.201 0.00 0.00 P O +ATOM 120 N LYS 7 18.344 -7.339 -10.081 0.00 0.00 P N +ATOM 121 HN LYS 7 18.514 -7.149 -9.121 0.00 0.00 P H +ATOM 122 CA LYS 7 18.264 -8.759 -10.431 0.00 0.00 P C +ATOM 123 HA LYS 7 17.384 -8.819 -11.061 0.00 0.00 P H +ATOM 124 CB LYS 7 19.264 -9.289 -11.471 0.00 0.00 P C +ATOM 125 HB1 LYS 7 18.974 -10.349 -11.611 0.00 0.00 P H +ATOM 126 HB2 LYS 7 19.074 -8.799 -12.461 0.00 0.00 P H +ATOM 127 CG LYS 7 20.774 -9.079 -10.961 0.00 0.00 P C +ATOM 128 HG1 LYS 7 20.684 -8.159 -10.351 0.00 0.00 P H +ATOM 129 HG2 LYS 7 21.154 -9.789 -10.191 0.00 0.00 P H +ATOM 130 CD LYS 7 21.764 -8.709 -12.011 0.00 0.00 P C +ATOM 131 HD1 LYS 7 21.344 -8.259 -12.931 0.00 0.00 P H +ATOM 132 HD2 LYS 7 22.564 -8.019 -11.681 0.00 0.00 P H +ATOM 133 CE LYS 7 22.524 -9.929 -12.411 0.00 0.00 P C +ATOM 134 HE1 LYS 7 23.384 -9.749 -13.101 0.00 0.00 P H +ATOM 135 HE2 LYS 7 22.974 -10.419 -11.521 0.00 0.00 P H +ATOM 136 NZ LYS 7 21.674 -10.869 -13.131 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 20.974 -10.559 -13.841 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 22.204 -11.679 -13.531 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 21.174 -11.229 -12.291 0.00 0.00 P H +ATOM 140 C LYS 7 18.144 -9.679 -9.211 0.00 0.00 P C +ATOM 141 O LYS 7 19.084 -9.929 -8.431 0.00 0.00 P O +ATOM 142 N ASP 8 16.914 -10.259 -9.041 0.00 0.00 P N +ATOM 143 HN ASP 8 16.204 -10.099 -9.721 0.00 0.00 P H +ATOM 144 CA ASP 8 16.294 -11.289 -8.111 0.00 0.00 P C +ATOM 145 HA ASP 8 15.384 -11.479 -8.641 0.00 0.00 P H +ATOM 146 CB ASP 8 17.124 -12.519 -7.901 0.00 0.00 P C +ATOM 147 HB1 ASP 8 18.104 -12.189 -7.501 0.00 0.00 P H +ATOM 148 HB2 ASP 8 16.724 -13.189 -7.121 0.00 0.00 P H +ATOM 149 CG ASP 8 17.204 -13.289 -9.201 0.00 0.00 P C +ATOM 150 OD1 ASP 8 16.144 -13.719 -9.721 0.00 0.00 P O +ATOM 151 OD2 ASP 8 18.304 -13.469 -9.721 0.00 0.00 P O +ATOM 152 C ASP 8 15.994 -10.579 -6.801 0.00 0.00 P C +ATOM 153 O ASP 8 16.884 -9.939 -6.101 0.00 0.00 P O +ATOM 154 N VAL 9 14.734 -10.669 -6.351 0.00 0.00 P N +ATOM 155 HN VAL 9 14.104 -10.979 -7.051 0.00 0.00 P H +ATOM 156 CA VAL 9 14.084 -10.129 -5.321 0.00 0.00 P C +ATOM 157 HA VAL 9 14.604 -9.259 -4.931 0.00 0.00 P H +ATOM 158 CB VAL 9 12.604 -9.859 -5.671 0.00 0.00 P C +ATOM 159 HB VAL 9 12.104 -10.629 -6.291 0.00 0.00 P H +ATOM 160 CG1 VAL 9 11.704 -9.629 -4.491 0.00 0.00 P C +ATOM 161 HG11 VAL 9 12.054 -8.819 -3.811 0.00 0.00 P H +ATOM 162 HG12 VAL 9 10.664 -9.399 -4.801 0.00 0.00 P H +ATOM 163 HG13 VAL 9 11.514 -10.519 -3.851 0.00 0.00 P H +ATOM 164 CG2 VAL 9 12.324 -8.569 -6.581 0.00 0.00 P C +ATOM 165 HG21 VAL 9 12.754 -7.579 -6.321 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.744 -8.909 -7.551 0.00 0.00 P H +ATOM 167 HG23 VAL 9 11.244 -8.339 -6.711 0.00 0.00 P H +ATOM 168 C VAL 9 14.074 -11.059 -4.211 0.00 0.00 P C +ATOM 169 O VAL 9 13.434 -12.139 -4.281 0.00 0.00 P O +ATOM 170 N LYS 10 14.734 -10.649 -3.121 0.00 0.00 P N +ATOM 171 HN LYS 10 15.274 -9.819 -3.111 0.00 0.00 P H +ATOM 172 CA LYS 10 14.894 -11.499 -1.981 0.00 0.00 P C +ATOM 173 HA LYS 10 14.054 -12.169 -1.811 0.00 0.00 P H +ATOM 174 CB LYS 10 16.134 -12.379 -2.201 0.00 0.00 P C +ATOM 175 HB1 LYS 10 16.114 -13.409 -1.791 0.00 0.00 P H +ATOM 176 HB2 LYS 10 16.114 -12.619 -3.291 0.00 0.00 P H +ATOM 177 CG LYS 10 17.604 -11.799 -1.901 0.00 0.00 P C +ATOM 178 HG1 LYS 10 17.674 -10.859 -2.491 0.00 0.00 P H +ATOM 179 HG2 LYS 10 17.414 -11.599 -0.831 0.00 0.00 P H +ATOM 180 CD LYS 10 18.714 -12.809 -2.331 0.00 0.00 P C +ATOM 181 HD1 LYS 10 18.454 -13.689 -1.701 0.00 0.00 P H +ATOM 182 HD2 LYS 10 18.574 -13.059 -3.401 0.00 0.00 P H +ATOM 183 CE LYS 10 20.064 -12.299 -1.961 0.00 0.00 P C +ATOM 184 HE1 LYS 10 20.244 -11.269 -2.351 0.00 0.00 P H +ATOM 185 HE2 LYS 10 20.434 -12.249 -0.921 0.00 0.00 P H +ATOM 186 NZ LYS 10 21.054 -13.269 -2.551 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 21.884 -12.719 -2.861 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 21.304 -13.989 -1.851 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 20.734 -13.809 -3.381 0.00 0.00 P H +ATOM 190 C LYS 10 15.034 -10.789 -0.671 0.00 0.00 P C +ATOM 191 O LYS 10 15.454 -9.599 -0.601 0.00 0.00 P O +ATOM 192 N GLY 11 14.694 -11.429 0.369 0.00 0.00 P N +ATOM 193 HN GLY 11 14.524 -12.349 0.029 0.00 0.00 P H +ATOM 194 CA GLY 11 14.524 -11.039 1.729 0.00 0.00 P C +ATOM 195 HA1 GLY 11 14.774 -11.939 2.269 0.00 0.00 P H +ATOM 196 HA2 GLY 11 15.284 -10.289 1.909 0.00 0.00 P H +ATOM 197 C GLY 11 13.194 -10.549 2.129 0.00 0.00 P C +ATOM 198 O GLY 11 12.604 -9.539 1.559 0.00 0.00 P O +ATOM 199 N MET 12 12.694 -10.939 3.269 0.00 0.00 P N +ATOM 200 HN MET 12 13.104 -11.829 3.459 0.00 0.00 P H +ATOM 201 CA MET 12 11.384 -10.619 3.699 0.00 0.00 P C +ATOM 202 HA MET 12 10.714 -10.399 2.879 0.00 0.00 P H +ATOM 203 CB MET 12 10.614 -11.679 4.489 0.00 0.00 P C +ATOM 204 HB1 MET 12 10.514 -12.569 3.829 0.00 0.00 P H +ATOM 205 HB2 MET 12 11.144 -12.079 5.379 0.00 0.00 P H +ATOM 206 CG MET 12 9.104 -11.469 4.939 0.00 0.00 P C +ATOM 207 HG1 MET 12 8.934 -12.429 5.459 0.00 0.00 P H +ATOM 208 HG2 MET 12 9.064 -10.709 5.749 0.00 0.00 P H +ATOM 209 SD MET 12 7.874 -11.019 3.679 0.00 0.00 P S +ATOM 210 CE MET 12 6.514 -10.339 4.719 0.00 0.00 P C +ATOM 211 HE1 MET 12 5.564 -10.259 4.159 0.00 0.00 P H +ATOM 212 HE2 MET 12 6.574 -11.039 5.579 0.00 0.00 P H +ATOM 213 HE3 MET 12 6.694 -9.279 4.979 0.00 0.00 P H +ATOM 214 C MET 12 11.384 -9.259 4.449 0.00 0.00 P C +ATOM 215 O MET 12 12.024 -9.199 5.489 0.00 0.00 P O +ATOM 216 N GLY 13 10.764 -8.289 3.949 0.00 0.00 P N +ATOM 217 HN GLY 13 10.444 -8.149 3.019 0.00 0.00 P H +ATOM 218 CA GLY 13 10.404 -7.049 4.819 0.00 0.00 P C +ATOM 219 HA1 GLY 13 11.274 -7.019 5.459 0.00 0.00 P H +ATOM 220 HA2 GLY 13 10.524 -6.219 4.139 0.00 0.00 P H +ATOM 221 C GLY 13 9.264 -6.909 5.559 0.00 0.00 P C +ATOM 222 O GLY 13 8.614 -7.839 6.109 0.00 0.00 P O +ATOM 223 N LYS 14 8.844 -5.609 5.749 0.00 0.00 P N +ATOM 224 HN LYS 14 9.474 -4.899 5.439 0.00 0.00 P H +ATOM 225 CA LYS 14 7.574 -5.409 6.409 0.00 0.00 P C +ATOM 226 HA LYS 14 6.984 -6.309 6.469 0.00 0.00 P H +ATOM 227 CB LYS 14 7.394 -4.589 7.759 0.00 0.00 P C +ATOM 228 HB1 LYS 14 7.874 -3.629 7.489 0.00 0.00 P H +ATOM 229 HB2 LYS 14 6.394 -4.469 8.239 0.00 0.00 P H +ATOM 230 CG LYS 14 8.194 -5.019 9.049 0.00 0.00 P C +ATOM 231 HG1 LYS 14 7.964 -6.099 9.209 0.00 0.00 P H +ATOM 232 HG2 LYS 14 9.304 -4.969 9.009 0.00 0.00 P H +ATOM 233 CD LYS 14 7.694 -4.379 10.309 0.00 0.00 P C +ATOM 234 HD1 LYS 14 8.474 -4.249 11.089 0.00 0.00 P H +ATOM 235 HD2 LYS 14 7.514 -3.299 10.139 0.00 0.00 P H +ATOM 236 CE LYS 14 6.344 -5.059 10.739 0.00 0.00 P C +ATOM 237 HE1 LYS 14 5.474 -4.859 10.079 0.00 0.00 P H +ATOM 238 HE2 LYS 14 6.624 -6.129 10.799 0.00 0.00 P H +ATOM 239 NZ LYS 14 5.924 -4.849 12.189 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 6.034 -3.859 12.509 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 4.924 -5.149 12.229 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 6.664 -5.349 12.719 0.00 0.00 P H +ATOM 243 C LYS 14 6.624 -4.739 5.369 0.00 0.00 P C +ATOM 244 O LYS 14 5.734 -3.909 5.799 0.00 0.00 P O +ATOM 245 N LYS 15 6.794 -4.969 4.079 0.00 0.00 P N +ATOM 246 HN LYS 15 7.384 -5.719 3.799 0.00 0.00 P H +ATOM 247 CA LYS 15 6.034 -4.309 2.989 0.00 0.00 P C +ATOM 248 HA LYS 15 5.544 -3.409 3.349 0.00 0.00 P H +ATOM 249 CB LYS 15 7.054 -3.949 1.889 0.00 0.00 P C +ATOM 250 HB1 LYS 15 7.774 -4.739 1.569 0.00 0.00 P H +ATOM 251 HB2 LYS 15 6.454 -3.419 1.119 0.00 0.00 P H +ATOM 252 CG LYS 15 8.114 -2.809 2.419 0.00 0.00 P C +ATOM 253 HG1 LYS 15 8.804 -3.359 3.099 0.00 0.00 P H +ATOM 254 HG2 LYS 15 8.634 -2.659 1.459 0.00 0.00 P H +ATOM 255 CD LYS 15 7.584 -1.599 3.189 0.00 0.00 P C +ATOM 256 HD1 LYS 15 7.164 -1.889 4.169 0.00 0.00 P H +ATOM 257 HD2 LYS 15 8.484 -1.019 3.479 0.00 0.00 P H +ATOM 258 CE LYS 15 6.734 -0.729 2.239 0.00 0.00 P C +ATOM 259 HE1 LYS 15 7.314 -0.529 1.309 0.00 0.00 P H +ATOM 260 HE2 LYS 15 5.724 -1.179 2.219 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.404 0.521 2.779 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 5.824 0.521 3.649 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.244 1.071 3.019 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.914 1.041 2.029 0.00 0.00 P H +ATOM 265 C LYS 15 4.884 -5.249 2.419 0.00 0.00 P C +ATOM 266 O LYS 15 4.984 -6.459 2.369 0.00 0.00 P O +ATOM 267 N GLY 16 3.844 -4.529 1.959 0.00 0.00 P N +ATOM 268 HN GLY 16 3.674 -3.579 2.179 0.00 0.00 P H +ATOM 269 CA GLY 16 2.574 -5.129 1.489 0.00 0.00 P C +ATOM 270 HA1 GLY 16 1.964 -4.409 0.969 0.00 0.00 P H +ATOM 271 HA2 GLY 16 2.844 -6.039 0.959 0.00 0.00 P H +ATOM 272 C GLY 16 1.844 -5.679 2.579 0.00 0.00 P C +ATOM 273 O GLY 16 1.424 -4.779 3.369 0.00 0.00 P O +ATOM 274 N GLU 17 1.664 -7.039 2.679 0.00 0.00 P N +ATOM 275 HN GLU 17 1.964 -7.619 1.929 0.00 0.00 P H +ATOM 276 CA GLU 17 0.664 -7.589 3.619 0.00 0.00 P C +ATOM 277 HA GLU 17 -0.226 -7.009 3.479 0.00 0.00 P H +ATOM 278 CB GLU 17 0.364 -9.129 3.379 0.00 0.00 P C +ATOM 279 HB1 GLU 17 1.394 -9.519 3.499 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.296 -9.599 4.139 0.00 0.00 P H +ATOM 281 CG GLU 17 -0.236 -9.489 1.899 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -0.626 -8.629 1.329 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.584 -9.859 1.239 0.00 0.00 P H +ATOM 284 CD GLU 17 -1.416 -10.529 1.859 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -2.466 -10.119 2.399 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.326 -11.669 1.279 0.00 0.00 P O +ATOM 287 C GLU 17 1.064 -7.529 5.169 0.00 0.00 P C +ATOM 288 O GLU 17 1.194 -8.509 5.839 0.00 0.00 P O +ATOM 289 N ILE 18 1.174 -6.269 5.769 0.00 0.00 P N +ATOM 290 HN ILE 18 1.034 -5.459 5.209 0.00 0.00 P H +ATOM 291 CA ILE 18 1.414 -6.079 7.169 0.00 0.00 P C +ATOM 292 HA ILE 18 2.424 -6.459 7.279 0.00 0.00 P H +ATOM 293 CB ILE 18 1.404 -4.559 7.579 0.00 0.00 P C +ATOM 294 HB ILE 18 0.384 -4.099 7.569 0.00 0.00 P H +ATOM 295 CG2 ILE 18 1.844 -4.279 9.059 0.00 0.00 P C +ATOM 296 HG21 ILE 18 2.884 -4.619 9.209 0.00 0.00 P H +ATOM 297 HG22 ILE 18 1.774 -3.179 9.249 0.00 0.00 P H +ATOM 298 HG23 ILE 18 1.234 -4.779 9.839 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.454 -3.759 6.729 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.474 -4.169 6.539 0.00 0.00 P H +ATOM 301 HG12 ILE 18 1.834 -3.739 5.809 0.00 0.00 P H +ATOM 302 CD ILE 18 2.604 -2.289 6.999 0.00 0.00 P C +ATOM 303 HD1 ILE 18 3.224 -2.029 7.879 0.00 0.00 P H +ATOM 304 HD2 ILE 18 2.954 -1.759 6.099 0.00 0.00 P H +ATOM 305 HD3 ILE 18 1.624 -1.799 7.219 0.00 0.00 P H +ATOM 306 C ILE 18 0.384 -6.779 8.089 0.00 0.00 P C +ATOM 307 O ILE 18 0.804 -7.489 8.999 0.00 0.00 P O +ATOM 308 N LYS 19 -0.896 -6.509 7.839 0.00 0.00 P N +ATOM 309 HN LYS 19 -1.206 -5.939 7.079 0.00 0.00 P H +ATOM 310 CA LYS 19 -2.026 -7.199 8.629 0.00 0.00 P C +ATOM 311 HA LYS 19 -1.946 -8.249 8.859 0.00 0.00 P H +ATOM 312 CB LYS 19 -2.126 -6.449 9.949 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.896 -6.939 10.579 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -1.166 -6.659 10.469 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.426 -4.999 9.719 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.716 -4.279 10.179 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -2.676 -4.699 8.679 0.00 0.00 P H +ATOM 318 CD LYS 19 -3.766 -4.559 10.449 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -4.516 -5.319 10.129 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -3.556 -4.599 11.539 0.00 0.00 P H +ATOM 321 CE LYS 19 -4.386 -3.099 10.169 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -3.576 -2.469 10.579 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -4.446 -2.929 9.079 0.00 0.00 P H +ATOM 324 NZ LYS 19 -5.486 -2.719 11.019 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -5.416 -3.339 11.849 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -5.666 -1.749 11.339 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -6.386 -2.999 10.579 0.00 0.00 P H +ATOM 328 C LYS 19 -3.326 -7.059 7.789 0.00 0.00 P C +ATOM 329 O LYS 19 -3.476 -6.189 6.849 0.00 0.00 P O +ATOM 330 N ASN 20 -4.316 -7.999 8.059 0.00 0.00 P N +ATOM 331 HN ASN 20 -4.036 -8.769 8.619 0.00 0.00 P H +ATOM 332 CA ASN 20 -5.646 -7.839 7.509 0.00 0.00 P C +ATOM 333 HA ASN 20 -5.786 -7.159 6.679 0.00 0.00 P H +ATOM 334 CB ASN 20 -6.096 -9.209 7.029 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -5.906 -10.049 7.729 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -7.146 -9.119 6.689 0.00 0.00 P H +ATOM 337 CG ASN 20 -5.316 -9.629 5.759 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -4.826 -10.729 5.719 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -5.286 -8.769 4.659 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -5.146 -9.219 3.779 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -5.736 -7.879 4.619 0.00 0.00 P H +ATOM 342 C ASN 20 -6.676 -7.409 8.479 0.00 0.00 P C +ATOM 343 O ASN 20 -7.776 -7.089 8.059 0.00 0.00 P O +ATOM 344 N VAL 21 -6.396 -7.519 9.819 0.00 0.00 P N +ATOM 345 HN VAL 21 -5.456 -7.749 10.079 0.00 0.00 P H +ATOM 346 CA VAL 21 -7.396 -7.179 10.879 0.00 0.00 P C +ATOM 347 HA VAL 21 -8.236 -7.709 10.449 0.00 0.00 P H +ATOM 348 CB VAL 21 -6.826 -7.749 12.239 0.00 0.00 P C +ATOM 349 HB VAL 21 -7.286 -7.259 13.129 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -7.046 -9.329 12.169 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -6.856 -9.759 13.169 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -8.106 -9.449 11.849 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.266 -9.659 11.459 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.396 -7.379 12.359 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -4.756 -8.079 11.779 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -5.166 -6.319 12.149 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.016 -7.439 13.399 0.00 0.00 P H +ATOM 358 C VAL 21 -7.846 -5.759 10.999 0.00 0.00 P C +ATOM 359 O VAL 21 -7.276 -4.869 10.339 0.00 0.00 P O +ATOM 360 N ALA 22 -8.906 -5.519 11.769 0.00 0.00 P N +ATOM 361 HN ALA 22 -9.416 -6.289 12.149 0.00 0.00 P H +ATOM 362 CA ALA 22 -9.436 -4.259 12.089 0.00 0.00 P C +ATOM 363 HA ALA 22 -9.466 -3.719 11.149 0.00 0.00 P H +ATOM 364 CB ALA 22 -10.846 -4.299 12.609 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -11.416 -5.199 12.319 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -10.926 -4.419 13.709 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -11.456 -3.459 12.209 0.00 0.00 P H +ATOM 368 C ALA 22 -8.466 -3.409 12.959 0.00 0.00 P C +ATOM 369 O ALA 22 -7.546 -3.889 13.539 0.00 0.00 P O +ATOM 370 N ASP 23 -8.686 -2.039 13.069 0.00 0.00 P N +ATOM 371 HN ASP 23 -9.316 -1.559 12.459 0.00 0.00 P H +ATOM 372 CA ASP 23 -7.826 -1.369 14.089 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.826 -1.749 14.249 0.00 0.00 P H +ATOM 374 CB ASP 23 -7.666 0.171 13.739 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -8.616 0.651 13.409 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.266 0.821 14.549 0.00 0.00 P H +ATOM 377 CG ASP 23 -6.646 0.421 12.579 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -5.826 -0.519 12.269 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -6.666 1.551 12.069 0.00 0.00 P O +ATOM 380 C ASP 23 -8.396 -1.479 15.489 0.00 0.00 P C +ATOM 381 O ASP 23 -7.666 -1.829 16.409 0.00 0.00 P O +ATOM 382 N GLY 24 -9.696 -1.199 15.609 0.00 0.00 P N +ATOM 383 HN GLY 24 -10.176 -0.789 14.839 0.00 0.00 P H +ATOM 384 CA GLY 24 -10.556 -1.289 16.809 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -10.096 -1.689 17.699 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -10.936 -0.309 17.049 0.00 0.00 P H +ATOM 387 C GLY 24 -11.786 -2.189 16.479 0.00 0.00 P C +ATOM 388 O GLY 24 -11.706 -3.229 15.859 0.00 0.00 P O +ATOM 389 N TYR 25 -12.876 -1.749 16.969 0.00 0.00 P N +ATOM 390 HN TYR 25 -12.906 -0.929 17.539 0.00 0.00 P H +ATOM 391 CA TYR 25 -14.016 -2.539 16.979 0.00 0.00 P C +ATOM 392 HA TYR 25 -13.776 -3.589 16.909 0.00 0.00 P H +ATOM 393 CB TYR 25 -14.736 -2.439 18.329 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -15.006 -1.359 18.359 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -15.656 -3.049 18.499 0.00 0.00 P H +ATOM 396 CG TYR 25 -13.796 -2.569 19.509 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -13.666 -3.879 20.169 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -13.996 -4.849 19.809 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -13.176 -4.079 21.419 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -13.346 -5.029 21.899 0.00 0.00 P H +ATOM 401 CZ TYR 25 -12.656 -2.939 22.049 0.00 0.00 P C +ATOM 402 OH TYR 25 -12.066 -3.249 23.349 0.00 0.00 P O +ATOM 403 HH TYR 25 -11.546 -2.489 23.609 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -13.306 -1.489 20.289 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -13.306 -0.499 19.869 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -12.496 -1.689 21.469 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -12.136 -0.859 22.069 0.00 0.00 P H +ATOM 408 C TYR 25 -14.956 -2.079 15.809 0.00 0.00 P C +ATOM 409 O TYR 25 -16.146 -1.959 15.629 0.00 0.00 P O +ATOM 410 N ALA 26 -14.206 -1.549 14.799 0.00 0.00 P N +ATOM 411 HN ALA 26 -13.216 -1.599 14.759 0.00 0.00 P H +ATOM 412 CA ALA 26 -14.716 -1.239 13.519 0.00 0.00 P C +ATOM 413 HA ALA 26 -15.076 -2.149 13.069 0.00 0.00 P H +ATOM 414 CB ALA 26 -15.756 -0.009 13.379 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -16.656 -0.369 12.839 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -16.016 0.321 14.409 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -15.226 0.871 12.949 0.00 0.00 P H +ATOM 418 C ALA 26 -13.396 -1.109 12.689 0.00 0.00 P C +ATOM 419 O ALA 26 -12.286 -1.219 13.149 0.00 0.00 P O +ATOM 420 N ASN 27 -13.406 -0.999 11.349 0.00 0.00 P N +ATOM 421 HN ASN 27 -14.246 -0.659 10.939 0.00 0.00 P H +ATOM 422 CA ASN 27 -12.176 -1.139 10.519 0.00 0.00 P C +ATOM 423 HA ASN 27 -11.566 -1.899 10.989 0.00 0.00 P H +ATOM 424 CB ASN 27 -12.576 -1.539 9.129 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -11.576 -1.749 8.679 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -13.156 -2.489 9.159 0.00 0.00 P H +ATOM 427 CG ASN 27 -13.416 -0.419 8.339 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -13.626 0.661 8.739 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -13.876 -0.759 7.099 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -13.366 -1.459 6.599 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -14.556 -0.219 6.609 0.00 0.00 P H +ATOM 432 C ASN 27 -11.306 0.251 10.539 0.00 0.00 P C +ATOM 433 O ASN 27 -10.166 0.161 10.149 0.00 0.00 P O +ATOM 434 N ASN 28 -11.866 1.501 10.979 0.00 0.00 P N +ATOM 435 HN ASN 28 -12.736 1.341 11.429 0.00 0.00 P H +ATOM 436 CA ASN 28 -11.186 2.731 11.309 0.00 0.00 P C +ATOM 437 HA ASN 28 -11.926 3.431 11.659 0.00 0.00 P H +ATOM 438 CB ASN 28 -10.136 2.471 12.349 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -10.686 1.871 13.109 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -9.406 1.891 11.739 0.00 0.00 P H +ATOM 441 CG ASN 28 -9.596 3.711 12.909 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -10.136 4.821 12.859 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -8.316 3.651 13.309 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -7.986 4.261 14.029 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -7.686 2.981 12.919 0.00 0.00 P H +ATOM 446 C ASN 28 -10.656 3.481 9.999 0.00 0.00 P C +ATOM 447 O ASN 28 -9.746 4.251 9.969 0.00 0.00 P O +ATOM 448 N PHE 29 -11.386 3.201 8.929 0.00 0.00 P N +ATOM 449 HN PHE 29 -12.256 2.721 9.029 0.00 0.00 P H +ATOM 450 CA PHE 29 -10.966 3.561 7.579 0.00 0.00 P C +ATOM 451 HA PHE 29 -10.036 4.111 7.589 0.00 0.00 P H +ATOM 452 CB PHE 29 -10.966 2.261 6.639 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -10.246 1.591 7.169 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -11.956 1.781 6.479 0.00 0.00 P H +ATOM 455 CG PHE 29 -10.366 2.291 5.289 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -9.376 3.331 5.169 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -9.076 4.091 5.869 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -8.696 3.241 3.929 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -7.826 3.851 3.759 0.00 0.00 P H +ATOM 460 CZ PHE 29 -8.936 2.421 2.859 0.00 0.00 P C +ATOM 461 HZ PHE 29 -8.396 2.751 1.989 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -10.676 1.451 4.249 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -11.366 0.661 4.499 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.026 1.531 2.999 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.176 0.831 2.189 0.00 0.00 P H +ATOM 466 C PHE 29 -12.046 4.521 7.089 0.00 0.00 P C +ATOM 467 O PHE 29 -13.036 4.171 6.419 0.00 0.00 P O +ATOM 468 N LEU 30 -11.886 5.791 7.509 0.00 0.00 P N +ATOM 469 HN LEU 30 -11.196 6.121 8.149 0.00 0.00 P H +ATOM 470 CA LEU 30 -12.656 6.861 6.909 0.00 0.00 P C +ATOM 471 HA LEU 30 -13.186 6.521 6.039 0.00 0.00 P H +ATOM 472 CB LEU 30 -13.686 7.371 7.959 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -13.546 6.791 8.899 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -13.536 8.451 8.189 0.00 0.00 P H +ATOM 475 CG LEU 30 -15.056 7.181 7.549 0.00 0.00 P C +ATOM 476 HG LEU 30 -15.086 6.071 7.499 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -16.056 7.641 8.619 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -15.906 8.741 8.589 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -17.066 7.271 8.339 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -15.766 7.221 9.599 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -15.486 7.771 6.209 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -16.346 7.171 5.859 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -15.816 8.821 6.389 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -14.626 7.671 5.509 0.00 0.00 P H +ATOM 485 C LEU 30 -11.566 7.981 6.469 0.00 0.00 P C +ATOM 486 O LEU 30 -10.416 8.071 6.949 0.00 0.00 P O +ATOM 487 N PHE 31 -12.086 8.881 5.519 0.00 0.00 P N +ATOM 488 HN PHE 31 -13.036 8.841 5.199 0.00 0.00 P H +ATOM 489 CA PHE 31 -11.436 10.081 4.949 0.00 0.00 P C +ATOM 490 HA PHE 31 -10.406 9.821 5.129 0.00 0.00 P H +ATOM 491 CB PHE 31 -11.746 10.201 3.389 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -11.316 11.101 2.889 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -11.436 9.201 3.009 0.00 0.00 P H +ATOM 494 CG PHE 31 -13.216 10.301 3.099 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -13.846 11.531 3.129 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -13.216 12.401 3.049 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -15.126 11.711 2.769 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -15.566 12.691 2.849 0.00 0.00 P H +ATOM 499 CZ PHE 31 -15.906 10.631 2.689 0.00 0.00 P C +ATOM 500 HZ PHE 31 -16.976 10.731 2.689 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -14.116 9.211 2.919 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -13.856 8.171 2.979 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -15.466 9.421 2.939 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -16.116 8.571 2.869 0.00 0.00 P H +ATOM 505 C PHE 31 -11.806 11.391 5.759 0.00 0.00 P C +ATOM 506 O PHE 31 -12.706 11.521 6.499 0.00 0.00 P O +ATOM 507 N LYS 32 -11.076 12.511 5.629 0.00 0.00 P N +ATOM 508 HN LYS 32 -10.316 12.601 4.989 0.00 0.00 P H +ATOM 509 CA LYS 32 -11.416 13.731 6.309 0.00 0.00 P C +ATOM 510 HA LYS 32 -11.946 13.581 7.239 0.00 0.00 P H +ATOM 511 CB LYS 32 -10.206 14.651 6.539 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -9.726 14.871 5.559 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -10.606 15.611 6.929 0.00 0.00 P H +ATOM 514 CG LYS 32 -9.256 14.281 7.659 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -9.896 14.201 8.569 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.776 13.281 7.619 0.00 0.00 P H +ATOM 517 CD LYS 32 -8.146 15.181 7.779 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -7.456 15.041 6.919 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -8.646 16.171 7.689 0.00 0.00 P H +ATOM 520 CE LYS 32 -7.276 15.211 9.069 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -6.976 14.151 9.209 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -6.366 15.851 9.069 0.00 0.00 P H +ATOM 523 NZ LYS 32 -7.926 15.721 10.239 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -8.596 16.431 9.869 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -8.266 14.971 10.859 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -7.246 16.401 10.649 0.00 0.00 P H +ATOM 527 C LYS 32 -12.436 14.481 5.449 0.00 0.00 P C +ATOM 528 O LYS 32 -12.326 14.501 4.219 0.00 0.00 P O +ATOM 529 N GLN 33 -13.336 15.171 6.159 0.00 0.00 P N +ATOM 530 HN GLN 33 -13.506 14.901 7.109 0.00 0.00 P H +ATOM 531 CA GLN 33 -14.386 15.991 5.629 0.00 0.00 P C +ATOM 532 HA GLN 33 -14.636 16.601 6.479 0.00 0.00 P H +ATOM 533 CB GLN 33 -13.826 17.211 4.699 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -12.986 16.791 4.119 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -14.656 17.441 3.999 0.00 0.00 P H +ATOM 536 CG GLN 33 -13.316 18.561 5.459 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -12.736 18.291 6.369 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -12.646 19.041 4.719 0.00 0.00 P H +ATOM 539 CD GLN 33 -14.576 19.481 5.759 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -15.666 19.051 6.149 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -14.406 20.851 5.839 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -14.926 21.581 6.289 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -13.526 21.121 5.429 0.00 0.00 P H +ATOM 544 C GLN 33 -15.636 15.401 5.029 0.00 0.00 P C +ATOM 545 O GLN 33 -15.636 14.221 4.609 0.00 0.00 P O +ATOM 546 N GLY 34 -16.776 16.171 5.229 0.00 0.00 P N +ATOM 547 HN GLY 34 -16.786 17.081 5.609 0.00 0.00 P H +ATOM 548 CA GLY 34 -18.076 15.981 4.679 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -18.326 15.041 5.149 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -18.646 16.861 4.909 0.00 0.00 P H +ATOM 551 C GLY 34 -18.096 15.911 3.149 0.00 0.00 P C +ATOM 552 O GLY 34 -17.076 16.121 2.379 0.00 0.00 P O +ATOM 553 N LEU 35 -19.306 15.911 2.529 0.00 0.00 P N +ATOM 554 HN LEU 35 -20.226 15.781 2.899 0.00 0.00 P H +ATOM 555 CA LEU 35 -19.396 15.831 0.989 0.00 0.00 P C +ATOM 556 HA LEU 35 -18.536 16.421 0.719 0.00 0.00 P H +ATOM 557 CB LEU 35 -19.296 14.371 0.489 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -19.046 14.281 -0.591 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -18.416 13.931 1.009 0.00 0.00 P H +ATOM 560 CG LEU 35 -20.536 13.411 0.699 0.00 0.00 P C +ATOM 561 HG LEU 35 -21.066 13.751 1.609 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -21.556 13.661 -0.531 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -22.546 13.281 -0.211 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -21.736 14.741 -0.721 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -21.266 13.181 -1.491 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -19.996 11.991 0.819 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -19.586 11.781 1.829 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -20.806 11.261 0.589 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -19.176 11.941 0.069 0.00 0.00 P H +ATOM 570 C LEU 35 -20.726 16.611 0.539 0.00 0.00 P C +ATOM 571 O LEU 35 -21.716 16.641 1.129 0.00 0.00 P O +ATOM 572 N ALA 36 -20.496 17.441 -0.491 0.00 0.00 P N +ATOM 573 HN ALA 36 -19.616 17.361 -0.941 0.00 0.00 P H +ATOM 574 CA ALA 36 -21.526 18.451 -1.061 0.00 0.00 P C +ATOM 575 HA ALA 36 -22.536 18.151 -0.801 0.00 0.00 P H +ATOM 576 CB ALA 36 -21.336 19.851 -0.501 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -20.366 20.351 -0.721 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -22.186 20.531 -0.691 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -21.306 19.651 0.599 0.00 0.00 P H +ATOM 580 C ALA 36 -21.316 18.511 -2.601 0.00 0.00 P C +ATOM 581 O ALA 36 -20.256 18.161 -3.151 0.00 0.00 P O +ATOM 582 N ILE 37 -22.226 19.221 -3.391 0.00 0.00 P N +ATOM 583 HN ILE 37 -22.996 19.671 -2.951 0.00 0.00 P H +ATOM 584 CA ILE 37 -22.196 19.111 -4.741 0.00 0.00 P C +ATOM 585 HA ILE 37 -21.816 18.171 -5.101 0.00 0.00 P H +ATOM 586 CB ILE 37 -23.526 19.071 -5.241 0.00 0.00 P C +ATOM 587 HB ILE 37 -24.126 18.231 -4.821 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -24.236 20.361 -4.761 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -25.256 20.281 -5.181 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -24.446 20.251 -3.671 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -23.636 21.251 -5.061 0.00 0.00 P H +ATOM 592 CG1 ILE 37 -23.536 18.731 -6.801 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -22.956 19.491 -7.361 0.00 0.00 P H +ATOM 594 HG12 ILE 37 -22.966 17.781 -6.711 0.00 0.00 P H +ATOM 595 CD ILE 37 -24.866 18.381 -7.511 0.00 0.00 P C +ATOM 596 HD1 ILE 37 -25.506 19.211 -7.141 0.00 0.00 P H +ATOM 597 HD2 ILE 37 -24.706 18.261 -8.601 0.00 0.00 P H +ATOM 598 HD3 ILE 37 -25.216 17.411 -7.091 0.00 0.00 P H +ATOM 599 C ILE 37 -21.256 20.151 -5.321 0.00 0.00 P C +ATOM 600 O ILE 37 -20.966 21.211 -4.671 0.00 0.00 P O +ATOM 601 N GLU 38 -20.716 19.951 -6.581 0.00 0.00 P N +ATOM 602 HN GLU 38 -20.726 19.071 -7.051 0.00 0.00 P H +ATOM 603 CA GLU 38 -19.856 20.991 -7.131 0.00 0.00 P C +ATOM 604 HA GLU 38 -19.166 21.381 -6.391 0.00 0.00 P H +ATOM 605 CB GLU 38 -18.846 20.121 -8.111 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -19.606 19.511 -8.651 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -18.266 20.761 -8.811 0.00 0.00 P H +ATOM 608 CG GLU 38 -17.876 19.291 -7.251 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -17.276 19.931 -6.571 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -18.476 18.501 -6.741 0.00 0.00 P H +ATOM 611 CD GLU 38 -16.916 18.591 -8.091 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -15.726 18.351 -7.681 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -17.256 18.231 -9.301 0.00 0.00 P O +ATOM 614 C GLU 38 -20.636 22.011 -8.111 0.00 0.00 P C +ATOM 615 O GLU 38 -19.906 22.651 -8.841 0.00 0.00 P O +ATOM 616 N ALA 39 -21.926 22.131 -8.061 0.00 0.00 P N +ATOM 617 HN ALA 39 -22.416 21.631 -7.361 0.00 0.00 P H +ATOM 618 CA ALA 39 -22.626 22.891 -9.111 0.00 0.00 P C +ATOM 619 HA ALA 39 -21.976 23.361 -9.831 0.00 0.00 P H +ATOM 620 CB ALA 39 -23.696 21.981 -9.581 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -23.216 21.351 -10.361 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -24.276 21.221 -9.011 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -24.376 22.621 -10.181 0.00 0.00 P H +ATOM 624 C ALA 39 -23.296 24.201 -8.451 0.00 0.00 P C +ATOM 625 O ALA 39 -23.476 24.271 -7.231 0.00 0.00 P O +ATOM 626 NT ALA 39 -23.606 25.231 -9.221 0.00 0.00 P N +ATOM 627 HNT ALA 39 -23.276 25.161 -10.151 0.00 0.00 P H +ATOM 628 CAT ALA 39 -24.526 26.241 -9.001 0.00 0.00 P C +ATOM 629 HT1 ALA 39 -24.426 26.621 -7.961 0.00 0.00 P H +ATOM 630 HT2 ALA 39 -24.316 27.181 -9.551 0.00 0.00 P H +ATOM 631 HT3 ALA 39 -25.606 26.031 -9.191 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 6.075 4.690 16.121 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 6.385 5.600 16.111 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 5.505 4.640 16.901 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 -5.934 -20.213 -20.475 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 -6.494 -20.543 -21.175 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 -5.734 -19.313 -20.725 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 11.016 2.140 3.422 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 11.056 3.050 3.132 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 11.786 1.720 3.032 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -7.507 20.810 -23.407 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -8.047 21.430 -22.907 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -7.747 20.990 -24.317 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 5.465 -21.133 -10.987 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 5.185 -21.083 -11.907 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.005 -21.923 -10.937 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 -17.215 5.975 -5.913 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 -16.665 5.195 -5.893 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 -16.735 6.595 -6.463 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 16.717 -3.467 13.377 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 16.027 -2.937 13.767 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 17.207 -2.847 12.837 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -18.636 -16.682 22.777 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -18.066 -17.392 23.077 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -18.036 -16.022 22.437 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 -8.772 22.888 8.408 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 -8.562 22.658 7.508 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 -8.822 23.848 8.408 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 -22.146 -19.185 -8.041 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 -22.156 -18.385 -7.511 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 -21.726 -19.845 -7.491 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 23.056 -6.814 -15.481 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 23.286 -6.204 -16.181 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 22.376 -6.364 -14.981 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 7.857 14.293 9.242 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 7.977 14.263 10.192 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 8.707 14.573 8.902 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 -20.904 4.416 21.622 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 -21.434 3.796 22.122 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 -20.544 3.896 20.902 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 -24.799 12.350 14.217 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 -24.609 11.650 13.597 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 -25.639 12.100 14.607 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 15.424 -9.144 5.331 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 15.984 -9.624 5.941 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 14.574 -9.114 5.771 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 23.590 11.313 -12.893 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 23.880 10.613 -12.303 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 24.300 11.953 -12.893 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 21.255 6.770 -6.802 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 20.445 6.940 -7.272 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 21.405 7.560 -6.282 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 9.147 -21.011 6.370 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 9.827 -20.731 5.760 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 8.927 -20.221 6.870 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -4.429 13.775 -3.564 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -4.489 13.935 -4.504 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -4.139 14.615 -3.194 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 -19.280 -8.676 23.925 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 -18.740 -8.566 23.145 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 -18.860 -8.126 24.585 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 3.807 10.577 23.797 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 3.827 11.157 23.037 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 4.287 9.797 23.517 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 13.726 -25.101 22.196 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 13.026 -24.531 22.516 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 14.146 -24.601 21.506 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -17.232 12.445 -16.859 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -17.052 11.605 -16.439 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -16.912 13.095 -16.229 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 -20.009 4.611 -10.669 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 -20.369 4.891 -11.509 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 -20.529 3.841 -10.429 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 14.507 -14.393 -5.809 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 13.827 -14.723 -6.399 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 14.037 -14.013 -5.069 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -6.242 22.158 23.527 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -5.592 21.588 23.117 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -6.912 21.558 23.847 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -25.016 -10.216 -0.753 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -24.606 -9.806 -1.513 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -25.026 -9.536 -0.083 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 24.621 -4.269 -0.279 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 25.521 -4.229 0.051 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 24.151 -3.609 0.231 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -20.629 -21.368 -7.221 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -20.209 -20.828 -6.541 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -20.249 -22.238 -7.101 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 23.694 17.043 -0.733 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 24.614 17.023 -0.983 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 23.424 17.953 -0.863 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 -17.821 -3.107 13.656 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 -18.081 -3.757 14.316 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 -17.031 -2.697 14.016 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 3.680 2.896 23.179 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 2.920 2.706 23.729 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 4.290 2.186 23.359 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 -21.251 11.531 22.843 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 -21.111 11.101 23.683 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 -20.381 11.851 22.583 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 10.676 -6.405 -12.657 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 11.496 -5.985 -12.407 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 10.186 -5.725 -13.117 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 -11.760 -12.548 5.509 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 -11.130 -13.208 5.239 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 -11.730 -12.568 6.469 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -23.046 -10.010 -23.676 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -23.316 -10.880 -23.356 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -22.156 -10.140 -23.996 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 -9.049 -12.987 0.906 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 -8.969 -13.227 1.826 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 -9.899 -13.337 0.646 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 4.364 21.707 24.509 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 4.164 22.157 25.329 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 5.284 21.907 24.349 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -10.944 -9.340 15.416 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -11.834 -8.990 15.356 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -10.694 -9.190 16.326 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 20.846 -11.991 15.909 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 20.546 -11.901 15.009 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 20.626 -12.891 16.149 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -13.849 24.981 4.625 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -13.399 25.731 4.225 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -13.499 24.941 5.515 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 2.373 -9.007 -3.800 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 2.603 -9.137 -2.880 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 3.073 -8.457 -4.140 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 22.620 13.696 3.202 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 22.080 14.126 2.542 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 22.490 12.756 3.052 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 15.319 16.352 -18.189 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 14.689 16.862 -18.699 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 14.819 16.032 -17.439 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 -3.234 -7.676 -21.111 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 -2.454 -7.266 -21.471 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 -3.614 -7.006 -20.541 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 9.529 -17.260 14.030 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 10.069 -17.610 14.740 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 8.709 -17.020 14.460 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 -23.941 -14.137 -10.765 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 -23.351 -13.777 -10.105 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 -23.641 -15.027 -10.905 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -21.584 -4.765 15.412 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -21.444 -4.265 14.612 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -22.414 -5.225 15.272 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 -23.753 19.752 -18.188 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 -23.723 19.252 -19.008 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 -23.423 20.612 -18.428 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 -1.046 9.684 -4.611 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 -0.856 10.624 -4.571 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 -0.206 9.264 -4.451 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 21.584 14.734 5.334 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 22.064 14.254 4.654 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 21.774 15.654 5.144 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 22.358 8.675 9.220 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 22.118 8.225 8.410 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 22.708 7.985 9.780 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 25.036 -8.358 17.665 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 24.316 -7.818 17.325 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 24.606 -9.058 18.155 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 19.174 10.909 -13.044 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 20.104 10.709 -12.904 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 19.174 11.569 -13.744 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 7.245 -7.622 3.210 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 7.445 -8.462 3.610 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 6.305 -7.652 3.020 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -4.389 13.086 -9.386 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -3.569 13.576 -9.396 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -4.479 12.756 -10.276 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 15.864 19.241 2.731 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.304 19.021 1.981 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 15.904 18.431 3.241 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 16.799 6.227 14.641 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 17.679 6.447 14.941 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 16.669 6.737 13.851 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 21.110 -13.907 -15.359 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 20.820 -14.527 -14.699 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 20.480 -13.197 -15.319 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -6.935 1.301 -6.043 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -6.245 1.961 -6.033 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -7.745 1.801 -6.133 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 -1.987 -11.347 24.303 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 -2.717 -10.747 24.203 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 -1.277 -10.947 23.813 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 24.645 19.493 -24.084 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 24.525 20.153 -23.394 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 24.145 18.743 -23.784 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -8.833 15.795 17.647 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -7.933 15.795 17.327 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -8.743 15.805 18.597 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -17.985 -2.731 24.727 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -17.785 -3.361 24.027 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -17.335 -2.911 25.407 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -8.524 6.164 -3.754 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -8.544 5.304 -4.184 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -8.874 6.774 -4.404 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 12.551 -4.774 -11.810 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 12.142 -5.084 -11.010 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 12.142 -3.924 -11.990 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -18.629 -2.819 21.325 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -19.519 -2.469 21.255 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -18.059 -2.059 21.295 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -10.933 20.351 16.983 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -11.253 21.241 17.083 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -9.973 20.431 16.963 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -22.354 -14.805 0.756 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -22.714 -14.765 -0.134 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -21.424 -14.965 0.626 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -2.729 -10.875 15.120 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -2.849 -10.785 14.170 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -1.779 -10.805 15.250 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -24.329 -11.902 10.922 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -24.049 -11.202 11.512 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -23.519 -12.222 10.532 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 -20.172 23.675 -4.993 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 -19.262 23.755 -5.253 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 -20.212 22.875 -4.473 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 8.623 15.254 -20.278 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 8.323 14.374 -20.068 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 9.543 15.154 -20.508 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 15.571 -16.606 17.366 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 14.911 -16.876 16.736 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 15.892 -15.766 17.036 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 15.637 20.360 8.886 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 16.517 20.470 9.236 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 15.777 20.080 7.976 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 8.787 -11.086 24.320 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 8.147 -10.406 24.490 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 8.587 -11.776 24.940 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 -8.852 -3.752 6.392 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 -8.602 -2.852 6.192 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 -8.022 -4.242 6.382 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -12.297 12.629 -9.090 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -12.327 11.719 -8.790 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -12.037 13.129 -8.320 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -16.789 -17.114 -2.732 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -16.769 -16.254 -2.312 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -15.869 -17.334 -2.892 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 -17.792 23.768 -9.071 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 -18.532 23.158 -9.141 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 -17.172 23.318 -8.501 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 -6.456 -23.931 21.376 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 -7.206 -23.941 20.786 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 -5.906 -23.221 21.056 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -16.570 -19.288 10.019 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -15.620 -19.248 9.929 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -16.870 -19.798 9.259 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 -17.446 16.712 -4.244 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 -17.706 16.362 -5.094 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 -18.256 17.052 -3.864 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -9.240 14.743 -13.703 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -10.150 14.883 -13.943 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -8.770 15.483 -14.073 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 14.179 1.901 -19.587 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 14.219 2.761 -20.007 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 13.659 1.361 -20.177 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -18.051 14.001 24.299 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -18.891 14.381 24.569 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -18.291 13.251 23.749 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 -24.209 -12.968 14.729 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 -23.259 -12.888 14.749 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 -24.429 -12.978 13.799 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -13.974 15.673 1.709 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -14.884 15.393 1.609 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -13.674 15.233 2.499 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 6.701 22.097 22.952 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 6.301 21.247 22.812 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 6.501 22.587 22.152 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -12.977 13.261 -16.941 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -12.787 13.291 -17.871 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -12.917 12.341 -16.711 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 -1.536 -10.496 -15.888 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 -2.456 -10.746 -15.778 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 -1.576 -9.606 -16.238 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 23.589 -3.020 -11.704 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 23.699 -2.070 -11.564 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 22.819 -3.240 -11.184 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 -24.795 -7.961 -14.418 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 -25.385 -8.101 -15.168 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 -23.935 -7.851 -14.818 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 18.827 -0.651 5.519 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 19.307 -0.771 6.339 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 18.077 -1.251 5.589 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 1.584 17.513 -8.679 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 1.554 17.243 -9.589 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 2.164 16.883 -8.249 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 11.421 24.684 4.131 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 10.971 23.834 4.141 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 10.921 25.234 4.731 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 -0.173 10.670 -2.069 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 0.627 10.600 -2.589 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 -0.353 9.770 -1.779 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 10.043 -4.237 -16.203 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 10.013 -3.287 -16.133 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 9.323 -4.547 -15.663 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 -9.419 -15.751 -2.329 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 -8.599 -15.281 -2.179 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 -9.499 -15.781 -3.279 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 24.909 1.391 -7.609 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 25.379 0.801 -7.019 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 24.989 2.251 -7.189 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 24.815 15.052 23.814 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 23.925 15.392 23.774 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 25.375 15.832 23.854 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -12.706 23.962 -15.388 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -11.766 23.932 -15.538 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -12.836 23.462 -14.588 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 7.473 7.137 -11.875 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 6.593 6.887 -11.585 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 8.013 6.357 -11.725 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 21.468 -23.240 17.587 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 22.038 -22.830 18.227 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 21.708 -24.170 17.617 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -0.871 -15.175 17.317 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -1.551 -15.775 17.017 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -0.851 -15.295 18.267 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -7.064 -19.845 4.457 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -7.804 -19.255 4.317 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -6.794 -19.685 5.357 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 23.317 -17.248 -16.147 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 22.897 -17.068 -15.307 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 23.067 -18.148 -16.347 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -14.262 20.515 -15.734 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -13.482 21.035 -15.954 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -14.262 19.805 -16.374 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 6.990 -16.973 5.483 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 7.090 -17.523 6.263 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 7.800 -17.123 4.983 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.194 -20.676 8.441 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 14.234 -20.566 7.491 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.964 -20.226 8.771 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -9.463 5.029 -11.931 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -10.273 4.699 -12.311 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -9.423 4.639 -11.061 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 6.438 13.400 -9.958 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 6.338 13.990 -10.698 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 6.628 12.550 -10.348 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 -6.726 16.681 -10.461 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 -6.436 16.451 -11.351 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 -6.146 17.401 -10.211 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 -15.237 4.383 11.811 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 -15.327 3.533 12.241 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 -15.827 4.323 11.051 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 8.685 -8.153 -13.820 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 9.245 -8.623 -14.430 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 9.215 -7.413 -13.520 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -8.415 3.253 -21.333 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -9.035 3.493 -22.023 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -7.595 3.083 -21.793 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -6.237 9.368 13.703 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -5.417 9.748 13.403 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -6.617 8.968 12.923 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -7.751 4.711 -9.158 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -7.921 5.591 -9.488 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -6.811 4.601 -9.248 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -8.105 21.666 17.385 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -7.525 21.806 18.135 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -8.545 22.516 17.265 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -14.415 -20.684 6.519 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -14.135 -20.034 7.169 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -15.015 -21.254 6.999 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 -17.282 16.472 13.825 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 -17.352 15.902 13.065 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 -17.722 17.282 13.555 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -14.301 -19.427 20.412 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -14.891 -19.257 21.152 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -13.521 -19.817 20.812 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 18.980 8.158 13.116 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 19.470 7.618 12.486 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 19.490 8.958 13.206 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 -0.261 -0.917 -2.202 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 -0.431 -0.007 -1.962 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 0.519 -1.157 -1.722 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 -19.579 6.659 -2.789 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 -19.539 5.749 -3.089 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 -19.229 7.169 -3.519 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 2.038 23.919 -4.659 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 2.938 24.159 -4.869 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 2.118 23.189 -4.049 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -4.684 -3.742 20.391 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -5.544 -3.692 20.811 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -4.584 -2.902 19.941 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 2.338 15.066 18.415 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 2.518 15.846 17.895 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 1.508 14.736 18.075 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -16.016 -13.569 -3.136 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -15.216 -13.929 -2.746 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -16.646 -13.539 -2.416 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 1.138 13.971 -8.648 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 1.968 14.151 -8.218 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 1.298 14.151 -9.568 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 -2.551 24.613 -22.198 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 -3.121 25.373 -22.108 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 -1.691 24.933 -21.938 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 -9.963 1.769 -11.878 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 -10.793 2.179 -11.628 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 -10.203 0.869 -12.108 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 3.379 18.464 -18.461 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 3.199 19.254 -18.971 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 3.539 17.784 -19.121 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 -22.623 11.229 -14.999 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 -22.413 10.319 -14.819 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 -21.813 11.609 -15.349 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 0.353 2.421 0.322 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -0.037 3.091 0.872 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -0.377 1.831 0.102 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 24.304 4.619 4.466 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 24.204 4.699 3.516 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 24.324 3.669 4.626 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 3.505 11.657 -9.439 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 2.565 11.617 -9.269 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 3.765 12.517 -9.109 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 15.511 14.963 14.432 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 15.821 14.683 13.572 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 14.571 15.043 14.332 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 12.084 -21.922 -3.585 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 12.854 -21.402 -3.355 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 12.294 -22.302 -4.435 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 -18.427 -8.245 -15.572 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 -19.207 -8.255 -15.022 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 -18.757 -8.115 -16.462 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -22.655 24.073 -16.151 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -22.055 24.463 -15.511 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -22.855 24.783 -16.751 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 14.048 8.201 -12.810 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 14.108 7.461 -12.210 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 14.868 8.171 -13.310 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 2.724 9.423 0.005 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 2.594 8.863 0.765 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 2.164 9.053 -0.675 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -2.714 1.880 21.921 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -2.844 2.260 22.781 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -3.594 1.780 21.561 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 0.565 -18.071 16.892 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 1.325 -18.661 16.882 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 0.375 -17.911 15.962 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 -16.790 -2.591 -10.683 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 -16.420 -3.471 -10.603 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 -16.030 -2.021 -10.743 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 19.390 18.494 -10.924 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 18.490 18.294 -11.194 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 19.920 17.874 -11.424 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 4.381 17.888 -9.261 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 3.651 17.688 -9.841 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 4.971 18.438 -9.781 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -14.084 19.459 23.549 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -14.644 20.229 23.419 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -13.594 19.389 22.729 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 -8.012 -17.181 14.117 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 -8.892 -16.821 14.197 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 -7.582 -16.971 14.947 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 10.217 -8.477 0.276 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 10.757 -7.727 0.506 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 10.837 -9.167 0.046 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 20.369 -0.136 10.897 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 20.629 0.624 10.387 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 20.959 -0.836 10.617 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 21.193 -23.947 -9.320 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 20.323 -23.737 -8.980 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 21.723 -23.177 -9.100 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -16.199 -7.520 -18.499 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -16.569 -8.210 -19.049 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -15.299 -7.810 -18.339 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -5.740 -20.112 22.142 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -4.940 -20.352 22.592 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -5.760 -19.152 22.172 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 23.280 8.636 -12.073 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 22.370 8.496 -12.363 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 23.790 8.026 -12.593 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 -14.339 -18.862 -9.180 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 -14.779 -18.192 -9.700 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 -13.859 -18.372 -8.510 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 22.861 21.750 11.249 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 22.991 21.050 10.599 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 23.131 21.360 12.079 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 -17.010 15.131 -21.672 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 -16.260 14.821 -21.152 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 -17.750 15.111 -21.062 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 -13.554 -19.845 10.096 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 -14.104 -20.635 10.126 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 -12.684 -20.175 9.906 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 25.340 -21.384 4.865 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 25.100 -20.684 5.465 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 24.710 -21.324 4.145 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 -3.550 -5.507 4.209 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 -3.460 -6.117 4.949 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 -3.560 -6.077 3.439 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 1.430 22.064 -21.512 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 2.110 22.434 -22.082 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 1.000 21.404 -22.052 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 -7.019 0.602 -1.147 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 -6.109 0.552 -1.437 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 -7.469 1.062 -1.857 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 5.065 11.076 -17.141 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 4.565 11.876 -17.341 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 5.385 11.216 -16.241 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 -9.526 9.195 22.522 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 -8.726 8.805 22.162 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 -9.456 10.125 22.302 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -15.446 -5.180 -21.655 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -15.126 -4.670 -20.915 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.476 -6.090 -21.335 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 22.110 11.056 1.096 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 23.000 10.766 0.876 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 21.640 11.056 0.266 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 8.231 14.993 -8.678 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 7.621 14.483 -9.218 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 9.041 14.483 -8.688 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -15.935 9.548 18.591 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -16.345 9.558 17.721 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -15.405 10.348 18.611 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 11.873 1.959 21.837 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 12.213 1.329 21.197 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 11.133 2.379 21.387 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 -1.391 12.971 12.187 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 -1.151 13.901 12.167 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 -1.371 12.701 11.267 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -1.406 -5.705 -21.998 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.046 -5.465 -22.858 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.016 -4.995 -21.788 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 11.480 14.872 -21.884 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 11.660 14.902 -20.944 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 12.100 15.492 -22.264 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 21.375 -17.029 3.539 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 21.335 -17.869 3.089 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 21.045 -17.209 4.419 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 -11.684 4.471 15.072 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 -11.614 5.011 15.862 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 -11.414 5.061 14.362 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 -2.105 5.268 -4.456 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 -2.205 6.178 -4.166 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 -1.405 5.308 -5.116 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 -17.222 11.436 11.574 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 -18.042 11.236 12.014 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 -17.182 12.386 11.544 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 16.267 -22.555 -23.318 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 15.797 -21.995 -23.928 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 15.907 -22.345 -22.458 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 -17.401 4.389 -10.215 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 -17.381 3.509 -9.835 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 -18.321 4.539 -10.435 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 19.669 -4.291 7.427 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 19.449 -4.651 6.567 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.129 -5.001 7.877 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 3.470 -4.572 15.407 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 3.430 -3.842 16.017 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 2.850 -4.342 14.717 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 -16.057 3.398 -13.133 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 -16.757 4.058 -13.053 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 -15.247 3.908 -13.123 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 -5.644 -16.782 22.576 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 -6.204 -17.132 23.276 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 -6.204 -16.792 21.796 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 -19.875 18.331 15.811 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 -20.495 17.971 16.451 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 -20.245 18.091 14.961 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 -5.407 9.440 24.014 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 -5.337 9.870 23.164 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 -6.167 8.870 23.924 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -11.913 13.697 -24.661 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -12.393 14.527 -24.641 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -12.363 13.177 -25.331 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 1.933 18.250 11.425 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 1.123 18.610 11.785 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 2.403 19.010 11.075 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -16.144 -5.264 24.056 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -15.374 -5.614 24.496 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -15.984 -5.454 23.126 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 -25.403 -7.809 23.309 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 -25.233 -6.959 22.889 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 -24.563 -8.079 23.669 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 -22.261 5.084 -1.315 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 -22.531 4.864 -2.205 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 -21.491 5.634 -1.415 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -0.395 -5.930 18.469 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -0.915 -6.590 18.019 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -0.625 -6.040 19.389 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 19.804 -14.528 22.595 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 20.224 -14.248 21.785 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 20.384 -15.218 22.925 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 -10.086 1.250 20.567 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 -10.126 1.920 21.257 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 -11.006 1.060 20.357 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 2.079 -5.538 -6.458 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 2.069 -5.028 -5.648 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 2.499 -4.978 -7.108 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -14.545 -18.097 -4.379 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -14.995 -17.997 -5.219 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -14.265 -19.017 -4.369 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 23.389 -17.077 -5.228 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 24.169 -16.807 -4.738 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 23.539 -17.997 -5.438 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 -13.025 -5.188 -11.071 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 -12.525 -5.918 -11.461 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 -13.545 -4.848 -11.791 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -1.649 13.580 -16.827 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -1.319 13.530 -15.927 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -2.389 12.980 -16.837 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 17.774 21.095 3.532 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 17.504 21.645 4.272 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 17.234 20.305 3.612 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -1.761 1.295 -1.428 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -1.791 0.445 -1.858 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -1.781 1.925 -2.158 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 10.609 -18.813 16.806 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 10.429 -18.773 17.746 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 10.679 -19.753 16.626 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -10.014 1.554 -6.108 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -9.644 1.464 -6.988 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -10.694 0.884 -6.078 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 10.109 11.582 -8.160 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 9.719 10.702 -8.140 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 10.269 11.792 -7.230 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 11.325 -19.942 -17.111 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 10.795 -20.202 -17.871 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 10.725 -19.412 -16.581 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -18.343 18.752 -11.993 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -18.323 18.552 -11.063 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -19.143 19.262 -12.113 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 25.204 -16.655 -9.541 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 24.984 -16.315 -10.401 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 24.444 -16.455 -9.001 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 -12.587 20.968 21.437 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 -13.017 21.628 21.967 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 -11.657 21.218 21.437 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 21.194 16.033 9.395 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 20.524 16.063 10.075 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 21.014 15.223 8.915 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 2.505 -25.104 -10.288 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.105 -24.814 -10.968 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 2.885 -24.784 -9.478 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 6.998 -13.938 -1.138 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 7.408 -13.378 -1.788 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 6.238 -14.308 -1.578 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 13.925 -24.855 -22.093 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 13.265 -24.605 -22.733 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 13.635 -25.705 -21.753 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 0.998 15.868 -18.947 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 1.518 16.278 -19.627 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 1.258 14.948 -18.947 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 8.807 23.313 -17.558 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 8.027 22.813 -17.808 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 8.677 24.173 -17.948 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 18.465 21.124 17.315 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 18.735 22.004 17.575 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 18.625 20.574 18.075 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -23.079 -1.039 -13.483 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -23.449 -1.779 -13.003 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -22.239 -0.869 -13.053 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 -0.992 16.745 -16.928 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 -0.422 15.975 -16.958 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 -1.012 16.995 -16.008 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 15.608 -4.993 -19.101 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 14.968 -5.043 -18.391 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 16.458 -5.023 -18.661 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 -24.674 -0.787 3.465 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 -24.544 -0.317 2.645 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 -24.584 -0.117 4.145 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 3.035 -23.706 0.595 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 3.075 -24.246 -0.205 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 3.655 -22.996 0.425 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 16.744 -10.340 13.049 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 16.514 -9.630 13.639 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 16.934 -9.920 12.209 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 5.744 24.610 9.676 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 6.584 25.060 9.556 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 5.894 24.010 10.406 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 12.959 -6.553 -16.320 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 13.559 -6.543 -15.570 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 12.649 -5.653 -16.390 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 16.131 5.928 -0.421 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 15.881 5.358 0.299 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 16.701 5.388 -0.971 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 -23.145 -4.388 0.816 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 -22.795 -4.278 1.706 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 -22.665 -3.738 0.296 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 1.936 -13.047 13.573 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 1.126 -13.497 13.323 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 2.486 -13.097 12.783 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 -7.725 6.866 2.613 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 -8.225 7.546 2.163 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 -7.345 7.306 3.363 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 5.493 -9.006 -6.820 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 6.163 -9.246 -6.180 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 5.673 -9.566 -7.570 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -18.565 9.141 -8.373 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -18.815 9.771 -9.043 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -19.155 8.401 -8.503 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 7.359 -6.949 -9.660 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 7.189 -6.969 -8.720 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 8.159 -6.429 -9.750 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 -9.845 15.354 22.251 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 -9.345 14.814 22.861 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 -9.855 14.854 21.441 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 1.016 24.624 20.555 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 1.526 24.054 19.975 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 1.166 25.504 20.205 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 -23.459 21.429 8.486 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 -23.079 21.229 7.636 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 -23.239 22.349 8.636 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 23.423 -1.650 7.817 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 23.523 -1.880 8.747 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 24.303 -1.750 7.457 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -4.342 -1.781 -3.924 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -4.892 -1.281 -4.534 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -3.512 -1.301 -3.904 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 5.561 -11.153 -13.622 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 4.721 -10.773 -13.872 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 5.761 -11.763 -14.332 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -12.112 -21.728 15.886 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -12.782 -21.178 15.496 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -11.542 -21.988 15.156 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 12.987 -5.183 -23.082 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 12.597 -6.033 -22.862 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 13.657 -5.053 -22.402 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -13.310 -5.748 -5.003 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -12.770 -5.818 -4.213 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.380 -6.648 -5.323 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 0.765 2.899 -3.576 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 1.175 3.249 -4.366 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 1.245 2.079 -3.406 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 13.034 -20.924 23.120 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 12.674 -21.314 23.920 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 13.714 -21.544 22.840 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 -2.037 21.217 -20.581 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 -2.177 21.387 -21.511 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 -1.407 20.507 -20.561 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 -6.412 4.812 20.190 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 -7.212 4.282 20.250 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 -6.682 5.602 19.730 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -17.030 22.706 -6.168 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -17.060 23.566 -5.748 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -16.120 22.596 -6.428 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 14.400 1.082 -10.440 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 13.720 0.572 -10.000 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 15.040 1.282 -9.750 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 -5.992 7.808 -5.354 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 -6.182 7.398 -4.514 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 -5.402 8.528 -5.144 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -17.075 25.071 -14.442 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -16.795 24.191 -14.712 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -17.165 25.551 -15.262 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 -21.431 12.099 10.801 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 -22.051 11.449 10.471 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 -20.571 11.789 10.501 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 -4.886 -25.087 -9.941 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 -5.606 -25.707 -9.861 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 -5.246 -24.387 -10.501 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 12.737 -24.705 1.352 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 12.447 -24.715 2.262 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 13.037 -25.605 1.192 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 13.719 23.251 -0.339 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 13.539 22.461 -0.849 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 14.329 22.971 0.341 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -21.116 3.443 24.273 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -21.356 2.863 24.993 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -20.426 2.973 23.803 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 -2.369 11.050 -8.301 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 -2.469 11.670 -9.021 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 -3.069 10.420 -8.441 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 -0.482 -12.551 -23.970 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 -0.592 -12.171 -24.840 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 -1.332 -12.431 -23.550 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 3.050 -17.057 13.984 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 2.940 -17.957 14.264 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 2.270 -16.607 14.304 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 16.594 2.336 23.656 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 17.464 2.716 23.506 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 15.984 3.046 23.446 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 -14.663 19.663 10.235 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 -15.613 19.613 10.135 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 -14.363 20.103 9.435 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -21.189 -2.798 8.765 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -20.679 -2.478 9.515 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -20.779 -3.638 8.545 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 9.604 6.431 23.875 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 8.754 6.071 23.615 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 9.814 7.071 23.195 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 24.234 -15.389 6.506 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 24.454 -16.289 6.276 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 24.524 -15.289 7.406 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 -17.429 -3.518 2.002 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 -17.399 -2.578 2.132 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 -18.149 -3.818 2.562 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 -22.102 16.522 15.372 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 -22.292 16.312 14.462 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 -22.852 16.172 15.862 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 -0.049 2.848 22.385 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 -0.839 2.448 22.015 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 0.141 2.328 23.165 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -21.873 7.170 -20.371 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -21.833 6.750 -19.521 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -21.783 6.460 -21.001 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -9.121 4.944 16.126 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -9.501 4.834 15.256 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -9.721 4.484 16.706 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 8.519 10.165 -2.180 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 8.509 10.875 -1.540 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 8.319 10.595 -3.010 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 11.226 17.785 -5.758 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 11.436 16.895 -6.048 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 10.506 18.055 -6.318 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 7.129 -1.990 -13.248 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 6.389 -2.170 -13.828 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 7.039 -1.060 -13.018 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 22.323 1.993 -8.403 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 21.753 1.223 -8.443 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 23.153 1.653 -8.083 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 -24.887 -11.437 -5.263 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 -25.787 -11.357 -5.563 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 -24.357 -11.317 -6.043 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 -0.289 13.847 17.960 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 0.281 13.127 18.230 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 -0.949 13.427 17.400 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 19.287 18.369 7.286 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 19.717 18.969 7.896 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 19.857 18.359 6.516 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 1.640 -4.110 12.496 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 1.900 -3.190 12.406 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 0.990 -4.100 13.196 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 17.445 18.618 -15.583 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 17.205 18.878 -14.693 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 16.725 18.058 -15.873 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 0.363 13.843 1.941 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -0.427 13.743 2.461 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 0.203 14.613 1.391 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 6.857 24.408 -12.074 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 6.327 24.048 -11.364 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 6.477 25.268 -12.244 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 -11.591 -3.042 -17.883 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 -11.011 -2.432 -18.343 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 -11.991 -2.512 -17.183 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -3.541 23.209 24.254 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -3.311 22.939 23.364 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -4.361 22.749 24.444 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 17.974 2.988 19.860 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 18.194 3.618 20.540 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 18.794 2.858 19.380 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.174 18.538 -3.291 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -9.364 19.298 -2.741 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -8.554 18.858 -3.941 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 19.669 -21.022 -19.997 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 20.479 -21.502 -20.177 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 19.779 -20.692 -19.107 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 4.563 10.008 -11.389 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 4.323 10.368 -10.539 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 4.653 10.768 -11.959 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 16.554 4.102 -6.897 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 16.814 3.522 -7.617 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 17.304 4.082 -6.297 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -2.879 -11.710 19.025 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -2.959 -12.580 19.405 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -3.779 -11.470 18.785 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 -22.044 -8.523 -11.136 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 -21.784 -9.403 -10.866 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 -22.874 -8.363 -10.686 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 13.933 2.680 -23.918 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 14.523 3.430 -23.858 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 14.423 2.030 -24.418 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -4.616 -0.338 8.399 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -4.486 -1.008 7.729 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -5.446 -0.568 8.809 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 2.939 -10.590 5.329 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 3.429 -10.830 6.119 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 2.229 -10.040 5.649 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -3.347 17.789 1.671 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -2.437 17.769 1.971 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -3.467 18.669 1.321 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 -6.183 -16.096 -20.029 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 -5.293 -16.056 -19.659 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 -6.563 -15.246 -19.829 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 24.527 -13.579 23.255 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 25.277 -13.139 23.655 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 24.227 -12.979 22.575 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -13.307 25.125 -19.040 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -13.607 24.255 -18.750 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -14.047 25.485 -19.530 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 -9.334 13.270 -9.252 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 -8.514 12.870 -8.962 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 -9.704 12.640 -9.872 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 10.461 -7.795 -21.319 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 10.911 -8.505 -21.779 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 10.881 -7.775 -20.459 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 -12.493 10.945 9.325 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 -13.353 10.545 9.425 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 -12.523 11.395 8.485 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 10.514 -15.239 22.587 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 10.194 -15.899 23.197 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 10.104 -15.459 21.757 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 -12.251 7.304 14.695 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 -12.511 8.214 14.555 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 -12.421 6.884 13.855 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 15.187 16.971 3.865 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 15.237 16.011 3.815 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 14.557 17.141 4.565 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 -6.552 10.251 21.598 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 -6.412 9.551 20.968 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 -6.042 10.991 21.248 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 22.930 -22.852 6.655 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 22.520 -22.942 7.515 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 23.380 -23.682 6.515 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 18.065 23.387 -3.064 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 18.685 22.737 -2.734 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 17.425 23.477 -2.354 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 18.906 13.221 -1.045 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 19.036 14.061 -1.495 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 19.456 13.281 -0.265 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 -6.570 25.158 5.777 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 -7.230 25.858 5.767 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 -6.800 24.608 5.037 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -0.842 -7.920 24.819 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -1.742 -8.090 25.069 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -0.762 -6.970 24.829 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -6.734 -20.138 -6.245 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -7.604 -20.538 -6.305 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -6.134 -20.828 -6.525 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 -7.869 -9.770 2.129 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 -7.729 -10.330 1.359 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 -8.649 -9.270 1.909 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -14.494 6.492 -5.405 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -14.144 7.382 -5.455 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -14.494 6.192 -6.315 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 20.356 -0.138 2.617 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 20.516 -0.618 1.807 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 20.746 -0.688 3.297 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -16.762 -11.295 18.725 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -16.162 -10.995 19.405 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -17.042 -12.165 19.015 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 -25.014 -2.921 9.838 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 -24.244 -3.191 10.328 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 -24.794 -3.091 8.918 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -20.652 9.677 -3.452 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -20.682 9.237 -2.602 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -21.252 9.177 -4.002 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 -9.430 21.498 5.952 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 -9.700 20.588 5.942 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 -8.620 21.518 5.442 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.570 -21.745 -23.306 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.650 -20.795 -23.316 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -20.130 -22.035 -24.026 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 6.575 -24.777 22.076 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 6.755 -25.077 22.966 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 7.375 -24.957 21.586 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -1.037 -16.639 24.661 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -1.677 -15.939 24.781 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -1.337 -17.099 23.871 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 13.165 -4.010 0.543 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 13.255 -4.600 1.283 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 13.795 -3.310 0.713 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -19.764 -0.321 9.306 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -19.834 -0.001 8.406 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -20.084 0.399 9.846 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -13.391 13.220 15.981 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -12.451 13.380 16.081 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -13.501 13.020 15.051 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 8.499 -24.154 -24.232 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 8.369 -24.884 -24.822 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 8.509 -23.374 -24.792 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 0.807 -11.241 -1.064 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 0.457 -10.611 -1.694 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 0.037 -11.761 -0.794 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 0.331 -10.145 -9.309 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -0.249 -9.415 -9.069 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 1.001 -10.145 -8.629 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -14.497 -17.490 -17.268 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -13.927 -16.840 -17.688 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -14.697 -18.110 -17.968 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 8.048 -24.337 0.023 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 8.288 -24.407 -0.907 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 7.668 -23.457 0.103 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 12.854 -0.649 -8.385 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 12.514 0.221 -8.155 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 12.104 -1.099 -8.795 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.025 19.644 8.801 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -16.785 19.544 7.881 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.635 18.934 8.971 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -8.535 -16.938 -11.913 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -9.375 -17.398 -11.813 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -8.635 -16.128 -11.423 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -9.514 -2.634 -21.521 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -8.974 -2.424 -22.281 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -9.104 -2.164 -20.801 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 13.421 1.666 8.429 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 14.151 2.256 8.589 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 13.451 1.476 7.499 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 8.085 23.526 -14.594 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 7.285 23.376 -15.084 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 7.795 23.846 -13.744 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 20.046 23.368 14.679 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 20.766 23.988 14.589 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 19.586 23.398 13.839 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 4.515 -16.911 -7.183 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 5.425 -17.041 -7.463 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 4.195 -16.191 -7.733 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -9.084 -4.771 -18.451 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -8.454 -4.401 -17.831 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -9.934 -4.541 -18.081 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 15.007 18.876 -20.200 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 15.697 19.486 -19.950 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 15.077 18.826 -21.160 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 11.183 -5.507 14.415 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 10.553 -5.367 15.115 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 11.283 -4.637 14.015 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 9.138 14.832 -16.920 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 8.398 15.222 -17.400 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 9.268 15.402 -16.170 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.908 -22.957 19.426 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 2.758 -23.137 19.836 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 2.048 -23.147 18.496 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -15.312 -20.095 -14.615 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -15.872 -20.635 -15.165 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -14.512 -19.975 -15.115 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -1.021 -4.588 5.427 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -1.881 -4.828 5.077 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -0.751 -3.818 4.917 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 6.306 -17.095 -12.581 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 6.766 -17.385 -11.791 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 6.956 -16.565 -13.051 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 -7.504 7.930 -25.269 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 -8.434 7.740 -25.159 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 -7.054 7.160 -24.919 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 1.050 20.480 -13.502 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 1.610 20.500 -14.282 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 0.160 20.570 -13.842 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 22.304 24.473 -18.398 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 21.684 23.763 -18.558 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 22.954 24.383 -19.088 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 2.834 23.520 12.986 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 2.064 22.970 13.116 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 2.684 23.940 12.146 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 4.925 0.698 -4.985 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 5.875 0.698 -4.855 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 4.815 0.438 -5.905 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -12.930 12.733 13.455 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -11.980 12.613 13.515 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -13.130 12.563 12.535 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 21.903 12.881 -22.449 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 21.693 12.481 -21.599 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 22.853 12.871 -22.489 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 19.126 -7.637 -3.415 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 19.176 -8.547 -3.685 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 19.526 -7.147 -4.135 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 -13.474 -8.202 18.354 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 -13.564 -9.012 18.864 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 -13.414 -8.492 17.444 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 -1.697 0.787 -17.015 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 -2.547 0.447 -17.295 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 -1.497 1.477 -17.655 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 15.133 -21.685 -7.378 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 15.603 -22.125 -8.088 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 15.733 -21.005 -7.078 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 -17.207 -18.847 -10.384 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 -17.247 -17.897 -10.464 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 -18.007 -19.157 -10.814 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 23.026 23.151 17.202 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 23.376 23.981 17.512 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 22.806 23.301 16.282 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.262 9.850 -21.193 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -21.602 10.220 -21.773 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -21.982 8.940 -21.063 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 19.820 7.939 -23.308 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 19.120 7.299 -23.228 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 19.740 8.479 -22.518 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 -23.789 -8.716 -2.878 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 -23.899 -7.966 -3.458 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 -23.529 -9.436 -3.458 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -24.042 1.249 19.152 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -23.492 0.479 19.052 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -24.182 1.329 20.102 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 -21.304 23.915 22.862 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 -21.914 23.425 22.302 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 -21.254 23.405 23.662 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 -15.170 1.843 -2.654 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 -14.660 2.583 -2.974 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 -16.050 1.983 -3.004 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 -3.539 3.498 3.845 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 -4.359 3.568 4.345 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 -2.909 3.988 4.365 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 6.071 -11.510 -20.471 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 5.281 -11.910 -20.821 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 6.251 -10.780 -21.061 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 16.920 4.525 10.471 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 17.180 3.705 10.051 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 16.800 4.285 11.391 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 0.214 10.645 1.092 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 0.134 11.585 1.272 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 0.614 10.605 0.222 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 1.517 11.131 -4.274 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 2.067 11.901 -4.114 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 1.297 11.191 -5.204 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 -22.983 23.601 19.942 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 -22.133 23.991 19.722 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 -22.813 22.651 19.952 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -2.414 23.019 -4.660 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -2.404 23.099 -5.620 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -1.744 23.629 -4.360 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -7.455 -1.938 4.555 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -7.205 -1.138 4.085 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -7.905 -2.468 3.905 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 1.430 -2.131 2.781 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 1.510 -3.081 2.891 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 0.880 -2.031 2.001 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 -14.911 -4.518 1.051 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 -15.021 -5.068 1.831 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 -15.541 -3.808 1.171 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 15.671 -0.032 -24.375 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.001 -0.622 -25.045 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 15.001 -0.532 -23.915 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 14.574 -0.741 -15.493 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 15.244 -0.341 -16.043 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 13.744 -0.401 -15.823 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 20.696 21.608 -6.568 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 20.986 20.858 -6.058 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 21.496 21.948 -6.978 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 -1.023 -1.271 -7.111 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 -0.293 -1.201 -6.501 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 -0.803 -2.011 -7.671 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -25.289 -12.048 -24.303 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -24.469 -12.188 -24.793 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -25.309 -12.758 -23.663 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 0.907 19.445 -0.168 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 1.817 19.565 -0.448 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 0.387 19.945 -0.798 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 -6.300 8.150 -0.359 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 -6.140 8.900 -0.939 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 -7.140 7.800 -0.629 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 -18.993 15.505 16.106 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 -18.143 15.345 16.506 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 -18.813 16.065 15.356 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 -18.449 -7.501 -22.055 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 -18.319 -6.771 -21.455 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 -18.399 -7.101 -22.925 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -13.912 19.788 16.919 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -14.362 19.198 16.309 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -13.432 19.198 17.509 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 -5.582 5.780 5.306 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 -5.582 5.410 6.186 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 -6.202 6.510 5.346 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 2.469 -9.587 13.595 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 2.489 -8.647 13.785 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 2.169 -9.647 12.685 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 -3.984 21.370 22.339 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 -4.204 20.500 22.009 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 -3.034 21.370 22.379 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 5.715 -1.340 6.549 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 5.955 -1.500 7.469 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 5.435 -2.190 6.219 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -14.313 25.259 20.101 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -14.483 24.349 19.861 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -15.023 25.759 19.671 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 0.069 17.192 -2.020 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 0.849 16.942 -2.520 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 0.399 17.812 -1.360 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -15.971 -0.240 24.747 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -15.161 -0.720 24.897 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -16.441 -0.750 24.087 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 -21.203 22.301 6.270 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 -21.383 23.051 5.700 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 -21.643 21.571 5.840 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 10.688 2.888 9.051 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 10.768 3.828 9.201 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 11.588 2.568 9.061 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -21.469 -18.608 -11.337 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -22.379 -18.388 -11.187 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -21.459 -19.558 -11.427 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 -17.383 -9.533 -5.061 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 -17.123 -8.813 -5.641 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 -17.783 -10.173 -5.651 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 18.011 6.268 -22.005 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 18.681 5.668 -22.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 17.181 5.888 -22.305 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -1.584 -23.871 19.750 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -2.224 -23.621 19.080 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -1.604 -24.821 19.760 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 -10.575 17.541 14.229 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 -10.155 17.321 15.059 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 -10.815 18.471 14.319 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 -12.600 6.524 -0.916 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 -11.870 5.914 -0.866 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 -12.450 7.134 -0.186 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -8.511 -6.793 -20.393 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -8.121 -5.993 -20.053 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -8.991 -7.163 -19.653 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 10.131 7.155 1.913 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 9.521 6.425 2.063 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 9.571 7.915 1.753 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 5.845 16.144 23.525 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 6.265 15.624 24.215 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 5.095 15.624 23.265 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 -22.870 -4.272 24.321 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 -22.930 -3.322 24.431 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 -22.430 -4.572 25.111 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 4.418 8.530 -15.738 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 5.158 8.670 -15.138 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 4.178 9.410 -16.028 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 25.335 -0.811 11.565 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 24.655 -0.851 12.245 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 24.935 -1.231 10.805 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 7.498 -12.090 9.562 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 8.218 -12.000 8.942 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.298 -13.030 9.552 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 4.655 -15.413 6.009 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 4.665 -16.303 5.659 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 4.455 -14.863 5.249 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 7.359 0.011 21.943 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 7.809 0.041 21.093 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 7.419 -0.899 22.213 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 -19.629 -22.985 -14.104 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 -20.299 -23.445 -13.594 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 -20.099 -22.635 -14.854 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 -12.430 18.690 -21.052 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 -11.470 18.660 -20.992 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 -12.640 19.610 -21.162 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 -5.507 -17.873 14.641 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 -5.257 -17.603 15.521 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 -6.377 -17.503 14.501 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 7.966 5.528 1.852 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 7.646 4.758 2.312 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 7.216 6.128 1.852 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -2.846 -0.621 -10.458 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -2.626 -1.501 -10.138 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -3.646 -0.741 -10.978 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.534 -4.576 8.522 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 15.044 -4.646 9.322 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 14.814 -3.736 8.132 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 15.055 6.371 -6.041 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 15.295 5.511 -6.381 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 15.065 6.941 -6.811 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 4.561 -16.927 -20.903 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 3.711 -16.627 -21.203 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 4.761 -17.687 -21.453 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 6.387 -8.744 7.802 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 7.087 -8.584 7.162 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 5.847 -7.954 7.772 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -22.402 -4.719 -20.801 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -22.792 -4.839 -19.931 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -21.562 -5.179 -20.741 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 18.078 -24.286 -15.398 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 17.918 -24.646 -14.528 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 18.108 -25.046 -15.978 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 16.245 10.115 20.442 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 17.165 10.035 20.202 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 15.785 10.225 19.602 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 -12.002 23.465 -8.988 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 -11.452 23.375 -8.208 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 -11.442 23.935 -9.618 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 3.899 -22.465 -4.200 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 3.199 -22.585 -3.560 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 3.859 -21.535 -4.430 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 6.520 -16.218 -4.140 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 7.310 -15.918 -3.700 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 6.550 -15.798 -5.000 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -15.906 -24.888 2.281 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -15.386 -25.208 3.021 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -15.516 -24.038 2.061 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -8.977 -7.970 -12.395 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -8.657 -8.290 -11.545 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -9.817 -7.560 -12.185 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 12.741 2.015 -15.227 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 12.251 2.785 -15.527 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 13.301 1.785 -15.957 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 16.030 15.027 -11.891 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 15.130 15.317 -12.061 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 15.930 14.197 -11.421 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 12.378 -15.900 -16.854 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 12.688 -16.530 -16.204 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 11.638 -15.460 -16.424 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 18.689 2.960 -8.685 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 19.039 3.710 -9.155 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 19.349 2.280 -8.785 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 0.515 21.950 7.010 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 0.365 22.570 7.720 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 0.465 22.480 6.210 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -14.712 -13.349 -22.782 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -14.142 -12.879 -22.182 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -15.142 -14.019 -22.242 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 7.944 17.765 3.052 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 7.114 17.295 2.962 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 7.814 18.325 3.812 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 22.383 -22.827 11.772 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 22.033 -22.537 12.612 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 22.413 -23.777 11.842 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 13.313 -6.157 23.337 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 13.543 -6.847 23.967 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 13.673 -5.357 23.717 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 24.181 10.728 11.092 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 25.061 10.978 10.802 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 23.691 10.618 10.272 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 -21.157 -13.617 -2.178 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 -20.527 -12.937 -1.938 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 -21.037 -13.727 -3.118 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -14.573 -22.122 -16.973 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -13.883 -22.672 -16.593 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -14.953 -22.652 -17.673 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 15.188 -12.635 13.135 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 15.948 -12.065 13.095 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 14.438 -12.045 13.165 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 -5.989 23.005 -8.406 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 -6.409 22.275 -8.856 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 -5.049 22.885 -8.586 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -21.487 24.798 -22.837 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -21.637 25.008 -21.917 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -22.277 24.338 -23.117 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 15.533 1.265 15.715 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 16.123 0.835 15.095 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 15.933 2.115 15.875 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 13.811 23.138 7.099 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 13.561 23.958 7.519 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 13.521 22.458 7.699 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -8.452 -5.611 24.052 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -8.932 -6.341 23.642 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -8.862 -5.511 24.912 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -7.416 19.723 24.169 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -6.786 19.113 24.569 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -7.816 19.223 23.459 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 10.640 17.770 -17.650 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 10.920 17.690 -18.560 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 10.920 18.650 -17.380 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 1.936 16.539 -11.378 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 2.196 17.459 -11.328 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 2.236 16.259 -12.248 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -24.592 -3.155 -13.255 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -24.012 -3.615 -13.865 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -25.462 -3.515 -13.425 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 -23.746 17.943 -16.105 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 -24.016 18.743 -16.555 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 -22.826 18.093 -15.885 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 13.945 19.918 -7.380 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 14.495 19.128 -7.350 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 13.685 20.068 -6.470 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 14.148 6.588 -24.321 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 13.608 6.458 -23.541 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 13.678 6.128 -25.021 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 -17.561 25.043 -4.942 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 -18.431 25.433 -4.902 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 -17.481 24.543 -4.122 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 -19.060 2.025 -6.017 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 -19.540 1.355 -6.497 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 -19.290 2.845 -6.457 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -10.579 -22.528 0.887 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -11.289 -21.908 1.037 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -9.919 -22.298 1.537 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 14.165 -20.645 -22.030 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 13.575 -19.895 -22.110 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 13.665 -21.385 -22.370 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 5.659 15.691 -22.995 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 5.289 16.521 -22.685 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 6.599 15.801 -22.895 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 -12.960 -5.091 9.716 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 -12.900 -5.951 9.296 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 -12.190 -4.621 9.396 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 4.753 -2.438 12.135 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 3.973 -1.968 11.845 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 5.413 -1.748 12.255 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 12.229 23.372 12.609 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 12.489 22.662 12.019 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 12.909 23.402 13.279 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -4.537 14.500 24.233 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -3.887 15.200 24.303 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -5.127 14.640 24.963 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 5.549 0.259 9.303 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 4.869 0.859 9.623 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 5.479 0.309 8.353 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 7.383 13.268 17.761 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 7.723 14.158 17.771 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 8.133 12.718 17.541 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 24.560 -21.783 -17.673 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 24.850 -21.063 -18.233 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 24.920 -22.563 -18.093 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -17.553 -6.393 -8.510 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -18.153 -5.683 -8.720 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -17.943 -6.823 -7.750 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -18.761 10.180 -22.255 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -19.091 11.000 -21.875 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -17.941 10.430 -22.685 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 -18.075 0.421 -8.899 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 -17.485 0.291 -8.149 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 -18.605 -0.379 -8.919 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 14.950 5.585 -13.054 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 14.300 5.005 -12.664 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 15.460 5.015 -13.634 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -8.801 -13.430 6.729 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -8.861 -13.080 7.619 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -8.741 -12.660 6.169 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -2.511 -17.110 16.243 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -1.701 -17.420 15.823 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -2.871 -17.900 16.663 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 -24.665 -22.911 7.695 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 -24.745 -22.791 6.745 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 -24.615 -23.861 7.815 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 23.354 18.645 -19.315 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 22.884 18.785 -18.485 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 23.964 17.935 -19.115 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 -8.804 19.581 12.522 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 -9.504 18.991 12.232 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 -9.234 20.421 12.662 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 -2.014 2.060 15.295 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 -2.144 1.150 15.055 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 -1.224 2.060 15.835 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 22.638 21.143 19.142 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 23.588 21.113 18.992 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 22.418 22.073 19.062 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 -15.379 -1.177 -15.839 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 -15.809 -1.967 -16.169 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 -14.519 -1.187 -16.259 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -5.936 -3.377 24.429 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -5.096 -3.827 24.269 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -6.586 -3.937 23.989 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 -18.954 -1.448 -21.066 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 -18.734 -2.208 -20.516 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 -18.184 -1.308 -21.616 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 -11.377 -7.350 9.995 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 -11.187 -6.860 10.795 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 -10.777 -8.100 10.025 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -23.877 6.023 0.754 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -23.047 5.653 0.444 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -23.657 6.913 1.024 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -19.189 -14.744 1.162 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -19.769 -15.444 0.852 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -19.469 -14.574 2.062 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -2.117 19.398 -3.524 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -2.587 19.008 -2.784 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -1.437 19.948 -3.114 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 19.186 -15.201 7.549 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 19.906 -14.591 7.409 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 19.596 -16.061 7.529 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 0.385 24.852 -22.214 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 0.465 23.952 -21.874 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 1.045 25.342 -21.734 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 2.334 -15.286 2.011 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 1.974 -16.116 1.681 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 1.934 -15.186 2.871 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -2.974 -2.153 5.809 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -2.224 -2.753 5.799 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -3.274 -2.133 4.909 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -24.955 -19.568 22.218 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -25.565 -20.218 22.568 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -24.195 -19.608 22.798 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 18.704 25.145 22.661 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 18.794 24.225 22.391 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 17.964 25.135 23.281 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 23.608 19.633 -12.245 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 24.558 19.593 -12.185 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 23.418 20.573 -12.315 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 9.665 18.030 22.304 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 8.705 18.080 22.234 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 9.935 17.580 21.504 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 8.908 -7.517 -23.638 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 9.398 -7.497 -24.458 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 9.538 -7.217 -22.978 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 23.056 19.972 15.362 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 23.956 20.022 15.062 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 23.076 19.342 16.082 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 12.345 20.340 -4.567 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 12.375 19.610 -5.187 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 13.035 20.150 -3.927 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 -18.195 14.804 11.769 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 -17.955 14.104 12.379 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 -19.155 14.834 11.809 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 10.108 20.075 -23.594 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 10.608 20.865 -23.804 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 9.328 20.125 -24.134 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -24.093 -20.782 -19.290 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -23.613 -20.502 -18.520 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -23.983 -21.732 -19.320 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 19.498 -11.527 22.387 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 19.658 -12.397 22.757 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 19.198 -10.997 23.117 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 8.063 -23.946 18.451 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 8.083 -23.106 18.911 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 8.893 -24.366 18.681 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 -6.660 -13.592 15.689 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 -6.020 -13.292 15.049 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 -7.400 -13.002 15.599 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 -16.009 21.151 -10.235 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 -16.889 20.821 -10.035 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 -15.649 21.391 -9.375 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 -10.291 13.197 12.961 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 -9.531 13.467 13.461 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 -10.661 14.017 12.621 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 -12.141 20.220 14.331 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 -12.121 20.220 15.291 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 -13.071 20.270 14.111 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 -17.665 20.355 -3.126 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 -17.625 20.235 -4.076 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 -16.825 20.765 -2.906 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -6.543 -4.560 -20.546 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -5.603 -4.350 -20.496 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -6.933 -4.040 -19.846 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 24.895 1.508 -22.063 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 25.405 2.298 -21.883 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 24.095 1.628 -21.563 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -12.094 -20.138 1.559 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -13.024 -20.058 1.389 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -11.974 -19.768 2.439 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 2.723 24.148 -7.595 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 2.743 25.068 -7.325 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 1.803 23.968 -7.765 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -2.706 4.373 -17.078 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -2.846 3.423 -17.088 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -1.976 4.513 -17.678 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 21.398 11.857 -19.763 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 21.018 12.267 -18.983 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 21.048 10.967 -19.773 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -23.921 15.449 -10.027 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -24.671 15.549 -9.437 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -23.191 15.849 -9.547 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 -15.961 14.435 -18.878 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 -15.021 14.285 -18.948 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 -16.311 13.605 -18.548 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 -0.957 -5.425 -12.790 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 -0.687 -4.605 -13.200 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 -0.287 -6.065 -13.050 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -6.169 -14.933 -24.353 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -6.649 -14.193 -24.723 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -5.529 -15.163 -25.023 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -23.725 -11.110 3.135 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -23.525 -11.610 2.345 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -24.095 -11.740 3.745 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -0.496 15.564 -11.919 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -1.346 15.544 -11.479 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 0.054 16.114 -11.359 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 4.589 7.107 -20.613 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 3.989 7.787 -20.303 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 5.329 7.597 -20.973 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 6.446 -1.928 -19.948 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 7.166 -1.318 -20.088 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 6.616 -2.318 -19.078 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 8.754 -8.544 17.112 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 8.044 -8.394 16.482 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 8.924 -9.484 17.072 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 -15.716 5.135 19.031 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 -15.416 5.535 18.221 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 -15.846 5.875 19.631 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 5.330 -24.875 13.139 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 5.790 -25.095 13.949 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 5.130 -25.725 12.749 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 4.566 5.377 -7.720 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 4.346 4.497 -7.400 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.826 5.617 -8.270 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -7.721 -4.209 20.689 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -8.671 -4.149 20.599 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -7.571 -4.179 21.639 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 19.799 -18.077 5.892 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 19.599 -18.967 6.182 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 19.039 -17.827 5.372 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 23.875 4.000 -12.908 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 23.785 4.880 -12.558 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 23.995 3.440 -12.138 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 17.485 -3.256 3.788 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 16.885 -2.536 3.598 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 17.035 -3.766 4.458 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 15.634 5.609 17.103 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 14.794 5.349 16.733 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 16.174 5.839 16.343 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 25.035 9.228 -21.937 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 24.155 8.928 -22.147 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 24.905 9.888 -21.257 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 -14.989 -14.042 -6.641 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 -14.469 -13.312 -6.971 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 -15.869 -13.682 -6.551 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 -3.506 -15.757 -15.065 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 -2.716 -16.297 -15.115 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 -4.166 -16.337 -14.675 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 17.067 -7.384 10.861 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 17.287 -8.264 10.561 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 17.717 -7.194 11.541 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -5.120 -7.081 -4.963 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -4.610 -6.481 -5.493 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -4.740 -7.941 -5.143 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -22.910 19.231 16.385 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -22.250 19.231 15.695 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -22.440 18.911 17.155 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 8.458 -11.062 -5.219 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 7.758 -10.552 -5.629 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 8.358 -10.912 -4.279 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 21.851 -22.341 -19.371 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 22.781 -22.371 -19.161 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 21.441 -22.921 -18.721 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 -17.980 3.190 18.399 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 -18.760 3.740 18.479 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 -17.250 3.770 18.649 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 12.274 5.680 23.826 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 12.214 5.090 23.076 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 11.374 5.960 23.986 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -10.004 -21.798 -22.834 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -10.934 -21.798 -23.024 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -9.954 -21.758 -21.874 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -14.375 15.509 -8.162 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -13.485 15.409 -7.832 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -14.865 14.789 -7.752 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 0.051 4.463 -14.384 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 0.601 3.693 -14.224 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -0.039 4.503 -15.334 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 1.019 0.663 19.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 0.919 1.553 19.771 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 0.309 0.573 18.791 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 17.561 14.442 -18.741 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 16.751 14.942 -18.841 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 18.131 15.012 -18.231 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 9.591 -1.851 -1.488 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 9.531 -2.631 -0.938 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 10.461 -1.481 -1.308 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 19.703 -0.765 -3.943 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 19.313 -1.175 -3.173 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 20.133 0.015 -3.613 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -23.879 7.922 23.809 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -23.479 7.052 23.849 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -23.989 8.182 24.719 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -10.745 17.885 -5.572 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -11.465 17.475 -5.082 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -9.955 17.625 -5.092 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -8.054 4.400 -14.243 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -8.684 4.680 -13.583 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -7.384 5.080 -14.243 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 -11.627 -13.231 8.112 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 -12.317 -13.661 8.612 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 -10.847 -13.761 8.252 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -8.677 -18.850 -0.819 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -7.997 -19.270 -0.289 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -9.497 -19.270 -0.539 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -3.734 -12.971 -4.178 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -3.524 -12.331 -3.498 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -2.884 -13.271 -4.488 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 -18.175 19.668 1.592 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 -17.285 19.348 1.732 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 -18.235 19.818 0.652 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 13.734 2.174 13.993 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 14.514 1.924 14.493 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 13.174 2.604 14.633 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -5.266 19.307 4.472 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -4.766 19.417 3.662 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -5.376 18.367 4.552 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -15.949 1.498 -23.478 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -16.579 1.308 -22.778 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -16.269 0.998 -24.228 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 14.618 -8.067 20.419 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 15.408 -7.787 20.879 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 14.028 -7.317 20.489 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -16.417 -1.249 -21.910 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -16.297 -1.679 -22.760 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -15.747 -1.629 -21.350 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 2.957 -15.915 19.223 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 3.877 -15.875 19.493 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 2.637 -16.745 19.573 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 -10.462 16.824 -11.641 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 -10.282 17.374 -12.401 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 -9.732 16.214 -11.611 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 23.231 16.440 2.015 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 23.871 15.900 2.485 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 23.531 16.450 1.105 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 18.471 1.277 -5.286 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 17.591 1.157 -5.656 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 18.731 0.397 -5.006 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 9.647 -7.590 -17.361 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 10.017 -6.970 -16.721 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 9.707 -8.440 -16.931 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 17.226 3.342 17.036 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 16.966 4.262 16.976 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 17.666 3.272 17.886 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -6.063 -5.014 5.623 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -5.123 -5.184 5.693 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -6.353 -5.544 4.883 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 -22.496 -20.247 -16.844 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 -21.956 -20.737 -17.464 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 -22.576 -20.827 -16.084 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 11.087 -20.020 3.784 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 11.157 -19.560 2.944 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 11.517 -20.860 3.634 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -14.153 10.584 -16.638 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -14.463 10.794 -15.758 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -14.943 10.334 -17.118 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 2.050 -1.600 11.916 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 1.770 -1.820 11.026 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 2.060 -0.650 11.936 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 10.824 -22.150 16.723 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 10.324 -21.950 17.513 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 11.524 -22.730 17.023 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 17.616 24.581 15.991 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 18.426 24.071 15.891 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 16.926 23.921 16.091 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 -8.854 -12.520 9.546 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 -8.674 -13.180 10.226 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 -9.424 -11.890 9.986 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 0.565 -20.057 -22.979 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 0.085 -19.917 -22.159 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 1.485 -20.067 -22.719 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 11.971 -6.075 10.810 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 12.921 -5.955 10.770 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 11.861 -7.005 10.990 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 -18.419 15.932 -7.989 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 -18.249 15.262 -8.649 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 -17.869 16.672 -8.229 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 17.057 -20.005 -2.991 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 16.267 -19.475 -3.091 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 16.727 -20.885 -2.781 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 -19.606 14.669 -5.937 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 -18.986 14.999 -6.587 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 -19.686 13.739 -6.137 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 -19.897 -19.625 15.722 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 -19.237 -20.175 16.152 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 -20.317 -19.155 16.442 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 9.984 -20.363 -19.980 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 9.734 -19.663 -20.590 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 9.254 -20.973 -20.000 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -3.755 19.738 14.243 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -4.015 19.348 15.073 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -4.565 19.808 13.743 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 16.036 13.595 -3.155 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 15.356 13.635 -3.825 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 16.306 14.505 -3.035 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -17.696 -12.971 -0.859 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -17.636 -12.271 -0.209 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -18.436 -13.501 -0.569 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 13.250 3.869 -17.598 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 13.430 4.809 -17.648 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 12.530 3.729 -18.208 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 7.295 -4.635 -2.002 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 7.115 -3.705 -2.082 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 6.445 -5.025 -1.792 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 9.545 -10.596 -18.611 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 9.945 -11.086 -19.321 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 8.725 -11.056 -18.431 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -13.424 -5.364 -7.701 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -14.014 -5.954 -8.171 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -13.664 -5.454 -6.781 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 1.467 -13.168 -2.947 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 1.407 -13.688 -2.137 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 1.647 -12.278 -2.647 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 -19.207 21.694 3.096 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 -18.877 20.964 2.576 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 -18.497 22.334 3.086 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 11.494 -12.926 17.442 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 12.064 -13.576 17.042 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 12.034 -12.146 17.522 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 11.051 24.105 -15.900 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 10.121 24.065 -16.130 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 11.081 24.625 -15.100 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -2.905 -13.477 -17.898 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.245 -14.207 -17.388 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -2.225 -13.087 -17.348 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -18.993 -19.675 20.781 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -18.843 -20.505 21.211 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -18.913 -19.025 21.481 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 -14.549 -4.739 14.620 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 -15.359 -4.719 14.120 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 -13.869 -4.479 14.000 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 12.995 9.313 -0.831 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 12.125 9.593 -1.111 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 12.915 8.363 -0.721 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 2.298 -8.720 -11.591 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 3.168 -8.470 -11.291 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 1.808 -8.920 -10.791 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 0.117 -8.759 -2.205 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 -0.613 -8.409 -2.715 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 0.737 -9.069 -2.855 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 2.364 -8.800 10.821 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 2.444 -9.710 10.551 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 1.624 -8.470 10.311 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 14.623 -10.515 9.539 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 15.473 -10.465 9.089 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 14.083 -11.065 8.979 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -12.685 16.449 24.512 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -12.405 16.919 23.722 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -13.355 15.829 24.192 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 11.935 -22.123 2.708 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 11.625 -22.663 1.978 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 12.005 -22.733 3.438 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 6.978 -21.606 -23.818 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 6.688 -20.976 -24.478 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 7.358 -21.066 -23.128 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 18.846 3.997 12.450 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 19.796 4.047 12.490 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 18.556 4.887 12.260 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -8.074 17.118 -13.534 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -8.594 17.178 -14.344 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -7.304 16.608 -13.784 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 2.075 10.708 14.956 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 2.955 10.728 15.326 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 2.175 10.298 14.096 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 24.193 -15.965 -23.572 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 23.913 -15.815 -24.472 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 23.423 -16.325 -23.142 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -2.313 4.640 18.650 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -2.693 4.990 17.850 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -2.343 3.690 18.550 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 4.758 12.688 18.950 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 4.428 13.578 19.110 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 5.648 12.828 18.620 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -10.607 24.051 -1.556 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -10.457 23.521 -0.776 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -10.927 24.891 -1.216 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 6.145 -17.796 22.926 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 5.245 -17.826 22.616 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 6.085 -17.426 23.806 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 6.821 -24.514 16.159 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 7.131 -24.244 17.019 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 7.171 -23.854 15.559 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 18.375 22.613 22.225 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 17.985 22.413 23.075 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 19.185 22.093 22.205 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 20.478 17.414 -13.268 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 21.368 17.304 -13.608 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 19.968 17.694 -14.028 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 -23.963 0.592 -10.268 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 -24.263 0.042 -9.548 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 -24.603 0.432 -10.968 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -5.915 4.275 2.482 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -4.975 4.405 2.612 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -6.315 5.085 2.802 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 -24.473 -20.209 0.891 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 -23.763 -20.029 0.271 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 -24.213 -21.019 1.321 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 -0.753 15.575 0.316 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 -1.553 15.065 0.396 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 -0.543 15.555 -0.624 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 23.193 -15.437 -1.924 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 23.373 -15.977 -1.164 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 23.703 -15.837 -2.634 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 5.954 -17.546 14.512 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 5.064 -17.206 14.492 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 6.504 -16.796 14.742 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 -5.206 22.569 18.311 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 -4.536 21.959 18.621 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 -5.846 22.609 19.021 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -20.389 17.844 -20.738 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -19.759 18.334 -21.268 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -20.039 17.914 -19.838 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 -7.870 -17.263 -21.782 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 -7.370 -16.493 -22.042 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -7.270 -17.753 -21.222 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 11.318 12.215 2.502 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 10.848 11.865 1.742 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 11.328 13.155 2.352 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -19.245 5.735 12.051 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -19.715 6.455 11.621 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -18.575 6.165 12.581 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -15.664 -23.271 -9.147 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -14.804 -23.651 -8.957 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -16.204 -23.551 -8.417 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 4.273 -3.518 -12.229 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 4.223 -4.368 -11.819 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 5.083 -3.128 -11.899 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 7.705 -20.871 20.777 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 7.025 -20.381 21.237 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 8.215 -20.201 20.317 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 5.146 24.608 17.511 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 4.806 24.018 16.831 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 5.936 24.988 17.121 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 -9.076 -8.098 -17.073 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 -9.536 -8.678 -16.463 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 -8.826 -7.338 -16.533 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 -9.957 17.250 -15.502 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 -10.397 18.050 -15.762 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 -9.877 16.740 -16.322 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -15.404 -12.337 4.776 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -15.064 -13.087 4.276 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -16.314 -12.267 4.506 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 15.891 -15.792 -7.405 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 15.381 -15.692 -8.205 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 15.381 -15.322 -6.745 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -11.723 -17.494 3.051 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -12.163 -17.704 2.221 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -12.403 -17.604 3.711 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 2.036 -5.092 22.149 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 2.386 -4.282 22.529 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 2.746 -5.732 22.259 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 -6.360 -13.728 -13.399 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 -5.770 -13.558 -12.659 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 -6.340 -14.678 -13.509 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 -0.417 19.131 7.865 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 0.003 18.431 7.355 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 0.143 19.891 7.725 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 -20.654 22.220 -22.944 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 -20.644 22.320 -23.894 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 -21.044 23.040 -22.624 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 23.640 5.702 -15.949 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 22.700 5.752 -15.769 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 23.760 6.212 -16.749 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 14.346 -13.449 17.859 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 13.806 -13.309 18.629 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 15.046 -12.799 17.929 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 7.097 19.104 -17.948 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 6.917 18.604 -18.738 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 6.447 19.804 -17.948 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -0.666 -14.858 -9.069 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -1.546 -14.628 -9.379 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -0.726 -15.788 -8.859 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 14.091 -21.175 0.732 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 14.991 -21.005 0.992 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 13.641 -21.405 1.542 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -11.174 -19.335 -7.721 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -10.804 -20.015 -7.161 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -11.814 -19.795 -8.271 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -24.265 17.779 1.660 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -23.395 17.379 1.710 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -24.865 17.049 1.760 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -12.113 -13.138 16.871 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -12.543 -12.278 16.871 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -12.833 -13.768 16.781 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 13.321 -10.399 18.256 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 13.091 -11.059 18.906 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 12.731 -9.659 18.436 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 1.813 9.146 -11.901 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.453 8.726 -11.311 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 2.293 9.876 -12.281 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 -24.687 -18.226 -23.075 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 -25.267 -17.566 -23.455 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 -24.167 -17.736 -22.435 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 -7.873 7.510 5.412 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 -8.793 7.490 5.682 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 -7.693 8.430 5.212 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 15.963 -24.560 20.479 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 15.633 -24.040 19.739 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 16.893 -24.680 20.289 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -17.653 -11.235 -13.414 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -18.463 -10.855 -13.054 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -17.133 -11.465 -12.644 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -20.429 24.671 -11.150 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -19.649 24.281 -11.540 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -20.109 25.101 -10.350 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 6.658 -9.821 20.222 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 6.868 -10.761 20.152 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 7.318 -9.471 20.812 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -13.617 -19.352 -22.527 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -14.417 -19.602 -22.067 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -12.907 -19.642 -21.957 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 1.955 1.543 11.921 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 2.065 1.993 12.761 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 1.125 1.873 11.581 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -12.102 -24.871 0.221 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -12.552 -24.151 -0.219 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -11.472 -24.431 0.811 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -1.859 23.620 -7.071 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -1.149 24.210 -7.331 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -2.159 23.230 -7.891 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 7.537 0.343 -17.780 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 7.627 0.953 -18.520 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 8.317 0.493 -17.250 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -14.848 15.993 -23.658 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -14.257 16.013 -22.908 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -15.598 15.483 -23.348 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 -2.507 10.510 -13.064 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 -1.977 9.960 -12.494 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 -1.927 11.240 -13.294 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 -10.692 -20.145 3.779 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 -10.612 -19.355 4.309 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 -9.952 -20.095 3.169 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 1.891 -6.830 14.117 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 0.981 -6.740 13.827 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 1.911 -6.410 14.977 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -12.872 -23.711 -11.710 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -12.672 -23.111 -11.000 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -12.092 -24.271 -11.790 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.647 5.682 -0.285 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 20.727 5.522 -0.485 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.747 6.632 -0.355 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 18.189 -20.935 3.123 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 17.269 -20.915 3.393 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 18.169 -20.815 2.183 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -10.172 20.495 21.175 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -9.812 19.755 21.665 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -9.822 20.385 20.295 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 8.839 5.547 -1.157 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 8.469 4.877 -1.737 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 8.689 6.377 -1.617 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 3.904 -18.335 -18.051 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 3.974 -17.455 -18.411 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 3.034 -18.635 -18.301 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 18.748 -14.514 13.487 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 18.488 -15.284 13.987 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 18.018 -14.364 12.887 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 -18.445 -11.441 -23.805 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 -17.585 -11.531 -24.205 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 -18.495 -10.511 -23.555 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 10.194 -11.662 -15.476 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 9.704 -11.132 -16.106 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 9.524 -11.972 -14.866 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 -12.199 7.924 10.735 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 -12.999 8.394 10.965 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 -12.359 7.024 10.995 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -17.517 -0.643 -18.538 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -17.947 -0.623 -19.398 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -18.177 -1.023 -17.948 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.587 19.996 11.541 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.437 20.396 10.681 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.337 20.466 11.891 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 2.166 -1.502 23.994 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 2.736 -2.042 23.454 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 1.926 -0.762 23.434 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 -8.714 24.118 3.297 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 -8.514 23.208 3.537 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 -9.544 24.298 3.727 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 13.815 17.731 -9.266 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 13.875 18.511 -9.826 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 12.885 17.651 -9.066 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -0.907 -11.737 8.309 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -1.317 -10.907 8.049 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 0.003 -11.507 8.489 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -6.810 19.892 -7.155 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -6.710 20.512 -7.885 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -7.720 20.002 -6.865 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 -2.454 -22.580 1.969 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 -2.564 -22.130 2.799 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 -2.044 -21.930 1.399 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 -23.817 8.709 11.666 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 -23.417 9.249 10.976 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 -23.107 8.159 11.986 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 -18.554 16.955 -23.788 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 -18.464 16.355 -23.048 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 -17.814 16.755 -24.358 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 0.413 17.701 21.398 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 0.823 17.191 20.698 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 0.593 18.611 21.158 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 16.367 -18.175 6.120 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 16.627 -17.415 6.640 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 16.747 -18.925 6.580 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 -9.997 -21.929 -8.169 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 -9.787 -21.459 -7.359 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 -9.277 -22.559 -8.269 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 10.520 -3.719 21.846 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 10.240 -3.299 22.666 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 10.490 -3.029 21.196 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -6.881 -16.303 16.698 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -6.481 -15.433 16.628 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -7.781 -16.123 16.948 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 16.064 -24.217 -11.370 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 16.984 -24.067 -11.170 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 15.944 -23.887 -12.260 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 -2.330 -0.266 -4.708 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 -2.990 0.114 -5.288 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 -1.590 -0.466 -5.278 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -19.450 15.876 -13.214 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -19.080 16.726 -12.974 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -19.760 15.996 -14.114 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -11.693 -1.797 3.151 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -11.763 -2.417 2.431 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -10.783 -1.497 3.121 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -10.582 -3.395 -12.458 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -11.122 -3.445 -11.668 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -9.772 -2.975 -12.168 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 23.475 2.367 8.177 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 23.925 1.787 7.557 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 24.125 2.507 8.867 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 18.403 4.872 22.189 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 17.913 5.422 22.809 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 19.323 5.082 22.359 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -3.922 -16.101 -10.141 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -4.762 -16.551 -10.211 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -3.312 -16.781 -9.871 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 -24.531 2.123 22.616 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 -25.171 2.823 22.476 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 -23.911 2.483 23.246 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 12.248 -3.516 12.649 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 11.948 -4.256 12.129 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 11.928 -2.746 12.169 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 6.376 -20.776 5.065 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 7.266 -21.036 5.295 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 5.866 -20.926 5.865 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 -14.243 8.061 23.295 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 -13.463 7.751 23.745 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 -13.933 8.341 22.425 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 12.474 0.251 -18.446 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 12.734 -0.559 -18.866 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 13.064 0.921 -18.786 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 1.951 6.535 1.283 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 2.261 6.305 0.403 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 2.591 6.125 1.873 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 -18.173 -4.394 -6.528 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 -17.753 -4.334 -5.668 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 -18.863 -5.044 -6.418 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 17.326 23.490 -15.211 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 16.616 23.380 -14.571 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 17.746 22.630 -15.241 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -10.504 -16.895 -22.395 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -9.564 -16.855 -22.205 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -10.744 -15.995 -22.625 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 1.185 -14.451 -0.499 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 1.385 -14.641 0.421 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 0.325 -14.041 -0.469 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 -3.114 -9.764 -19.271 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 -3.204 -9.224 -20.061 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 -2.414 -10.384 -19.491 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -9.486 16.660 3.307 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -10.246 16.200 2.947 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -9.086 17.080 2.547 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 11.949 17.575 16.076 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 11.019 17.405 16.206 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 12.039 18.525 16.166 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 11.975 -6.463 -2.328 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 12.085 -7.413 -2.318 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 11.405 -6.283 -1.578 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 -2.745 -0.222 -24.771 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 -2.825 0.528 -25.371 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 -3.645 -0.522 -24.651 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 -8.952 -19.609 16.549 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 -9.662 -20.239 16.679 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 -9.332 -18.769 16.799 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -24.032 -21.747 -6.363 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -23.932 -22.657 -6.673 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -23.502 -21.237 -6.973 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 -1.703 5.761 11.702 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 -1.643 6.301 12.492 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 -1.563 4.861 12.012 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 8.123 0.857 -20.622 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 7.693 0.797 -21.482 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 8.913 0.337 -20.722 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 7.121 -10.075 0.289 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 7.721 -10.825 0.239 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 6.831 -10.055 1.199 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 -1.135 -15.319 -22.863 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 -2.005 -15.719 -22.883 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 -1.135 -14.709 -23.603 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -6.786 4.970 23.829 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -5.836 4.930 23.719 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -7.106 5.310 22.999 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 -3.476 10.101 13.929 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 -3.046 10.721 13.339 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 -2.886 10.041 14.679 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 -1.943 23.875 19.068 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 -1.273 23.455 19.608 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 -2.773 23.605 19.468 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -4.145 -21.758 -13.034 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -3.705 -22.558 -12.734 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -3.575 -21.428 -13.734 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 20.310 13.540 -8.431 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 19.940 13.070 -7.681 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 20.330 14.450 -8.151 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 20.384 5.198 -9.811 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 21.304 5.178 -10.081 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 20.184 6.118 -9.691 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.285 -21.077 11.655 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.845 -20.917 12.415 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 5.775 -21.677 11.105 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 24.860 -10.216 -18.821 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 24.100 -9.696 -19.121 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 24.980 -10.876 -19.511 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 13.045 22.142 -16.201 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 12.205 22.572 -16.361 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 13.345 22.502 -15.361 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 15.195 10.206 15.634 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 14.405 9.676 15.594 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 15.585 10.126 14.764 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -20.525 13.491 13.462 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -20.285 12.581 13.632 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -21.395 13.591 13.862 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -23.466 -3.940 -10.850 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -23.666 -3.340 -11.570 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -23.176 -4.740 -11.290 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -20.005 -2.635 -14.925 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -19.585 -2.005 -14.345 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -20.575 -3.155 -14.355 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 16.804 17.369 8.592 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 17.364 17.779 7.942 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 17.184 17.629 9.432 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -13.955 -22.377 -0.538 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -14.685 -22.467 0.072 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -14.225 -21.697 -1.148 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 7.333 23.933 -21.333 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 7.133 23.603 -20.463 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 7.203 24.873 -21.273 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 -11.972 -17.022 -2.101 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 -12.472 -17.432 -2.801 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 -11.132 -16.802 -2.501 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 5.909 13.487 15.000 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 5.639 12.907 15.720 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 6.809 13.737 15.230 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -9.061 13.329 3.475 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -9.781 13.789 3.045 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -8.331 13.959 3.455 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 -2.757 -19.585 17.672 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 -1.877 -19.845 17.402 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 -2.657 -19.285 18.572 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -18.212 -17.368 -15.885 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -18.492 -18.078 -15.305 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -17.782 -16.738 -15.295 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 2.034 5.670 20.037 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.234 5.870 19.567 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 1.764 5.560 20.947 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 -8.369 -22.007 2.631 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 -8.319 -22.317 3.531 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 -7.679 -21.347 2.561 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 16.296 -13.345 -16.660 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 16.846 -12.685 -16.240 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 16.906 -13.985 -17.030 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 -7.506 16.207 -1.836 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 -8.076 16.947 -2.046 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 -6.776 16.297 -2.446 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -22.325 -5.610 11.361 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -22.865 -5.970 10.661 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -22.945 -5.280 12.001 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -13.553 1.441 -6.816 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -13.393 0.871 -6.056 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -13.183 2.281 -6.566 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 -8.512 6.551 18.331 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 -9.272 6.821 17.821 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 -8.362 5.651 18.081 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 -9.219 6.298 -20.214 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 -8.289 6.528 -20.184 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 -9.299 5.588 -19.584 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 -22.160 -15.213 -13.693 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 -22.000 -14.323 -13.393 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 -22.020 -15.173 -14.643 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -19.629 8.112 7.302 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -19.279 8.722 6.642 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -20.519 8.422 7.462 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -6.615 -13.932 -9.141 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -5.795 -14.292 -9.481 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -6.405 -13.032 -8.881 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -1.709 -19.768 -13.584 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -0.989 -19.378 -13.094 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -1.399 -19.798 -14.484 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 21.838 25.387 -21.728 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 21.128 25.767 -21.228 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 21.498 24.557 -22.048 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 -17.471 23.449 19.086 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 -16.651 23.149 18.696 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 -17.851 24.029 18.416 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 13.983 12.898 -5.317 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 13.243 12.418 -5.687 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 14.303 12.338 -4.607 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -8.269 -15.081 10.704 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -7.519 -15.501 11.124 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -8.939 -15.061 11.394 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 -4.285 -24.819 1.997 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 -5.105 -24.349 1.907 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 -3.625 -24.209 1.667 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 1.191 -20.387 -13.975 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 1.301 -19.507 -14.355 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 1.621 -20.327 -13.115 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -24.267 15.090 2.372 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -23.457 15.230 2.852 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -24.307 14.140 2.242 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -14.497 23.947 -3.414 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -15.017 24.497 -4.004 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -14.497 24.427 -2.584 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 -2.442 -23.890 -17.020 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 -1.712 -23.530 -16.510 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 -3.012 -24.290 -16.360 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 15.124 -24.026 0.011 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 14.274 -24.346 0.311 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 15.674 -24.036 0.791 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 -21.899 16.780 4.560 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 -21.769 17.620 4.110 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 -21.809 16.990 5.490 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 2.816 11.492 -24.241 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 2.176 12.172 -24.451 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 2.946 11.022 -25.061 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 -20.105 19.805 -14.873 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 -19.365 20.335 -14.583 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 -19.715 19.165 -15.483 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 -11.736 -4.672 -21.811 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 -12.186 -3.822 -21.821 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 -10.906 -4.492 -21.361 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 -4.627 17.899 -6.623 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 -5.197 18.609 -6.923 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 -3.757 18.159 -6.913 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 24.748 4.802 13.101 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 24.208 5.382 13.651 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 24.128 4.172 12.731 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 -8.409 -15.020 20.621 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 -8.289 -14.930 19.671 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 -7.549 -14.840 21.001 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 5.157 -20.624 22.272 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 4.557 -19.914 22.492 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 4.587 -21.384 22.142 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 13.671 -8.233 10.811 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 14.601 -8.083 10.691 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 13.461 -8.943 10.201 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 -24.522 -6.913 8.321 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 -24.732 -6.583 7.451 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 -23.632 -6.603 8.491 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 1.161 -9.900 -24.695 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 0.511 -9.230 -24.915 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 1.591 -9.560 -23.905 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 19.096 19.830 -0.578 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 19.516 19.210 0.022 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 18.866 20.580 -0.028 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 -1.113 -21.735 -21.354 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 -1.023 -21.655 -22.304 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 -1.183 -22.685 -21.204 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 18.005 1.775 10.076 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 18.605 1.285 9.516 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 18.565 2.205 10.726 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -16.299 -13.826 23.696 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -15.889 -14.676 23.496 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -15.999 -13.636 24.586 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 16.828 -5.360 6.221 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 16.598 -5.850 7.011 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 17.068 -6.030 5.581 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 1.324 13.380 -11.369 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 1.024 14.210 -11.729 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 2.264 13.510 -11.229 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -22.449 16.022 -17.971 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -21.589 16.422 -18.081 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -22.929 16.622 -17.401 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -22.466 -0.613 7.647 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -21.886 -0.313 6.937 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -21.956 -1.303 8.087 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 -6.635 -20.005 -12.988 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 -5.945 -20.605 -13.278 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 -6.705 -19.355 -13.688 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 -7.434 -20.070 -22.735 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 -7.704 -19.200 -23.015 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 -6.944 -20.430 -23.475 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 -2.055 -10.941 12.384 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 -1.305 -10.371 12.554 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 -1.785 -11.801 12.704 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -12.259 -21.395 -19.478 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -12.289 -20.475 -19.228 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -12.529 -21.865 -18.678 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -14.274 13.038 -23.005 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -13.824 12.228 -23.225 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -14.094 13.628 -23.735 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -20.655 18.098 -24.950 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -20.965 18.558 -24.170 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -19.965 17.518 -24.640 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 -0.375 -21.465 4.566 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 -0.915 -22.215 4.836 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 0.415 -21.865 4.216 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 13.997 3.422 3.599 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 14.357 3.522 2.719 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 14.757 3.322 4.159 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 11.120 -17.221 -9.455 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 10.640 -18.041 -9.495 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 12.040 -17.481 -9.385 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 4.303 -17.102 -10.637 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 5.043 -17.102 -11.247 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 4.443 -16.312 -10.107 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 -1.096 9.381 -10.948 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 -0.336 9.121 -11.468 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 -0.876 9.141 -10.048 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -1.529 -2.790 -24.295 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -1.649 -1.860 -24.485 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -0.609 -2.960 -24.495 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 -22.314 -10.696 17.811 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 -22.814 -10.226 17.141 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 -21.834 -10.006 18.271 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 -11.965 -0.910 -12.491 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 -12.545 -1.160 -11.771 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 -11.515 -1.730 -12.721 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 11.427 6.427 -7.609 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 10.517 6.507 -7.309 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 11.827 7.257 -7.369 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 9.230 15.765 17.262 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 8.790 16.405 16.702 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 9.870 15.345 16.692 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -23.662 7.983 18.415 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -22.872 8.063 18.945 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -23.362 7.513 17.625 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 14.545 -11.927 -23.023 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 14.175 -12.807 -22.933 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 14.655 -11.807 -23.963 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -19.069 -4.671 -1.417 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -19.669 -4.151 -0.887 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -18.959 -5.491 -0.917 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 -14.194 22.705 22.742 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 -14.794 23.445 22.752 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 -13.884 22.625 23.642 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 -9.433 -20.550 8.375 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 -9.673 -19.850 7.765 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 -9.033 -20.100 9.115 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 -4.066 -9.270 18.620 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 -3.266 -9.660 18.260 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 -3.776 -8.790 19.400 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 23.013 -6.499 -0.878 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 23.663 -5.819 -0.698 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 23.053 -7.079 -0.118 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 21.661 0.186 6.097 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 21.661 -0.324 6.907 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 20.821 0.656 6.107 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 9.823 6.482 13.455 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 9.403 5.872 14.065 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 9.303 7.292 13.545 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 7.823 -3.272 14.162 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 7.143 -2.972 14.752 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 8.353 -3.872 14.692 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 -16.907 -16.605 7.151 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 -16.567 -15.915 6.581 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 -16.697 -16.305 8.031 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 23.697 8.062 20.009 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 23.697 9.012 20.099 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 24.027 7.902 19.129 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 -16.784 12.044 -5.295 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -16.564 11.894 -4.375 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 -17.584 11.534 -5.435 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -22.755 13.772 7.933 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -23.345 14.492 7.703 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -22.645 13.842 8.873 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 12.493 -19.485 -2.854 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 12.403 -18.775 -2.224 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 12.143 -20.255 -2.394 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -5.033 -3.922 13.443 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -4.433 -3.402 13.983 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -5.793 -4.072 13.993 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 -6.252 15.159 -14.827 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 -5.312 15.119 -14.617 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 -6.492 14.259 -15.037 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 8.019 -22.400 -12.894 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 8.939 -22.270 -13.134 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 7.709 -23.080 -13.494 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 3.599 -25.025 -22.027 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 4.479 -24.645 -22.067 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 3.089 -24.525 -22.657 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 -17.980 3.589 7.720 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 -17.480 3.309 8.490 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 -17.310 3.819 7.080 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 3.016 23.202 -15.421 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 3.806 23.672 -15.141 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 3.296 22.712 -16.201 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 16.880 16.081 -21.814 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 16.330 16.321 -21.064 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 17.380 16.871 -22.004 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 20.587 -18.935 -10.635 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 21.087 -19.485 -10.025 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 21.267 -18.475 -11.145 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 18.907 -18.749 23.613 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 17.957 -18.879 23.633 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 19.277 -19.629 23.723 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 7.984 -24.472 12.240 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 8.654 -24.062 12.790 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 7.564 -25.122 12.810 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 -12.123 4.021 -12.416 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 -12.873 3.491 -12.146 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 -12.453 4.911 -12.426 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 -23.237 -4.364 -8.203 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 -24.077 -3.914 -8.113 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 -22.907 -4.074 -9.053 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 14.078 8.430 11.075 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 13.338 7.900 11.365 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 14.848 7.970 11.405 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 23.056 10.609 25.102 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 23.486 10.109 24.412 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 22.796 9.949 25.752 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 -14.536 9.678 -6.083 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 -14.066 9.558 -5.253 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 -15.316 10.178 -5.843 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -15.203 17.523 15.195 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -14.413 16.983 15.295 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -15.893 16.903 14.975 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -11.381 5.810 20.859 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -11.331 6.660 21.299 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -12.271 5.520 21.009 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 1.446 -14.744 -10.788 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 0.786 -14.904 -10.118 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 1.016 -14.144 -11.408 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 -20.676 -1.361 20.096 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 -21.096 -0.631 20.556 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 -21.026 -1.311 19.206 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 3.974 23.135 -10.105 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 3.644 23.165 -9.205 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 4.024 24.055 -10.375 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 -22.026 7.387 -12.338 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 -21.096 7.517 -12.108 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 -22.286 8.217 -12.738 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -14.266 -2.645 -24.785 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -14.476 -2.625 -25.725 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -14.096 -3.565 -24.605 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 -11.415 18.995 -1.538 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 -11.355 18.455 -2.318 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 -11.475 18.375 -0.818 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -20.134 -22.982 1.067 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -20.524 -22.712 1.897 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -19.964 -22.162 0.597 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 4.599 -14.529 -11.950 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 3.989 -14.749 -11.250 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 4.209 -14.899 -12.740 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 2.447 0.901 -0.884 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 3.117 1.501 -1.214 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 1.727 1.471 -0.624 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 16.176 -5.249 19.629 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 16.526 -5.029 18.769 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 15.496 -4.589 19.789 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -7.766 21.155 -14.599 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -7.146 21.885 -14.569 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -7.226 20.385 -14.739 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 -2.657 8.033 -6.532 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 -2.217 8.643 -5.932 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 -3.567 8.343 -6.562 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 22.261 24.091 -10.838 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 21.662 24.771 -10.518 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 21.691 23.361 -11.078 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 11.369 2.378 -1.349 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 10.869 2.728 -0.609 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 12.139 2.938 -1.419 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 24.916 24.118 -11.658 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 24.046 24.488 -11.508 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 24.896 23.808 -12.558 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 12.527 -24.585 17.265 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 12.107 -24.995 18.025 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 12.167 -25.065 16.515 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 10.749 8.513 15.652 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 10.719 8.963 16.502 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 9.939 8.783 15.212 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 8.414 -23.996 -18.828 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 8.574 -23.376 -19.538 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 7.464 -24.096 -18.798 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 -18.402 -4.097 4.657 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 -19.232 -4.377 5.037 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 -18.092 -3.407 5.237 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 12.683 6.490 14.568 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 12.013 7.030 14.148 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 13.513 6.900 14.308 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 -13.471 24.067 -22.011 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 -12.911 24.427 -21.321 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 -13.601 23.157 -21.761 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 21.524 2.601 24.067 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 21.084 2.131 23.357 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 21.154 2.231 24.867 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 -17.777 14.872 20.971 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 -16.957 15.112 20.541 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 -17.747 15.302 21.821 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 8.415 16.888 -11.711 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 7.885 16.198 -12.121 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 7.835 17.648 -11.671 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 7.086 4.958 8.010 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 6.586 4.328 7.470 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 6.886 4.708 8.910 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -8.116 1.783 25.261 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -7.666 2.453 24.741 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -8.996 1.733 24.891 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 19.505 -7.758 18.473 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 19.025 -7.788 19.303 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 20.145 -8.458 18.533 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -11.910 14.665 -14.721 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -12.440 15.345 -14.301 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -12.540 14.085 -15.141 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 23.091 -6.486 19.163 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 22.821 -7.356 19.433 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 23.371 -6.066 19.983 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -22.529 6.830 21.289 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -22.649 7.520 21.939 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -21.889 6.230 21.689 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 -10.544 13.781 -22.142 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 -10.934 13.491 -22.962 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 -9.904 14.441 -22.392 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 11.193 18.147 -21.591 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 10.963 19.007 -21.951 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 12.013 17.917 -22.031 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 -7.391 7.249 -10.453 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 -7.011 7.379 -9.583 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 -7.821 8.079 -10.653 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 1.726 -7.731 -17.641 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 0.896 -7.291 -17.831 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 1.746 -7.801 -16.681 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 -5.802 12.361 -15.191 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 -6.392 11.811 -14.671 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 -5.422 11.761 -15.831 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 19.313 6.341 1.653 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 19.793 5.601 2.023 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 19.373 7.031 2.313 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 24.430 -25.243 -19.752 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 25.210 -24.733 -19.522 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 23.720 -24.603 -19.772 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 -1.707 2.110 -10.353 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 -2.267 1.340 -10.443 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 -1.717 2.520 -11.223 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 -23.521 -23.740 10.975 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 -22.821 -23.110 11.125 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 -23.561 -23.840 10.025 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 -18.741 20.945 -21.131 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 -19.011 20.705 -20.251 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -19.541 21.245 -21.561 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 18.320 -5.389 -1.499 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 18.420 -6.119 -2.119 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 17.570 -4.899 -1.829 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 -8.556 -24.502 -19.146 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 -8.236 -23.682 -18.786 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 -8.226 -24.522 -20.046 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -11.137 -18.939 -20.453 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -10.517 -18.469 -21.003 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -11.507 -18.269 -19.883 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 24.670 11.332 4.371 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 24.450 10.412 4.221 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 24.250 11.802 3.661 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -18.172 19.143 13.001 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -18.592 20.003 13.001 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -17.302 19.303 13.351 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 9.597 21.290 22.015 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 9.977 20.480 22.365 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 8.657 21.180 22.165 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -8.394 -23.070 5.061 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -9.274 -23.420 5.171 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -8.234 -22.570 5.861 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 11.277 -21.699 -8.209 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 12.047 -21.259 -7.849 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 11.587 -22.089 -9.029 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -16.997 -6.165 8.869 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -16.557 -5.875 8.059 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -16.287 -6.515 9.399 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -23.331 8.660 0.656 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -22.981 8.320 -0.174 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -22.791 9.430 0.836 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -5.286 22.483 15.504 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -5.616 21.583 15.564 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -5.186 22.763 16.414 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 22.478 -24.349 19.933 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 21.598 -24.639 20.153 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 22.898 -25.129 19.553 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 11.266 12.163 9.652 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 11.876 11.743 10.262 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 10.576 11.513 9.502 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 3.388 13.755 -5.359 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 3.648 13.045 -5.939 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 4.208 14.185 -5.109 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 17.006 -15.991 -24.254 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 17.576 -16.401 -23.604 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 16.646 -16.721 -24.754 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 4.335 24.898 -1.026 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 4.405 24.398 -1.836 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 4.615 24.288 -0.346 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 14.730 7.814 22.313 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 15.270 7.634 23.083 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 14.000 7.194 22.393 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 14.065 14.929 -15.911 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 13.745 14.159 -15.431 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 13.975 15.649 -15.291 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -2.872 24.668 14.612 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -3.822 24.758 14.642 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -2.692 24.358 13.722 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -2.377 21.374 17.409 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -1.907 21.964 17.999 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -2.757 21.954 16.749 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 18.661 -1.757 12.159 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 19.271 -1.057 11.959 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 19.091 -2.547 11.839 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -2.127 16.143 19.736 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -1.627 16.953 19.666 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -2.447 15.973 18.856 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 0.067 8.036 -0.336 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -0.123 8.546 0.454 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -0.743 7.566 -0.526 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 10.616 12.929 -0.496 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 10.966 13.799 -0.696 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 10.576 12.479 -1.346 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 11.913 16.572 -14.823 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 11.643 17.002 -15.633 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 11.113 16.482 -14.313 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 11.771 -1.730 -10.947 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 11.681 -0.780 -10.967 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 12.061 -1.970 -11.827 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 -13.944 19.231 -5.965 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 -14.084 18.761 -5.145 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 -14.544 18.831 -6.595 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 -3.763 -7.053 25.041 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 -3.813 -6.113 25.221 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 -3.563 -7.113 24.111 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 21.813 -5.187 2.156 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 21.743 -4.577 2.886 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 22.003 -4.627 1.396 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 5.258 -6.122 -1.334 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 4.428 -6.142 -0.854 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 5.798 -6.782 -0.904 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 12.676 0.871 -21.712 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 13.066 1.561 -22.252 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 12.766 0.071 -22.242 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 16.728 -19.022 -7.204 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 17.458 -19.272 -7.764 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 16.438 -18.182 -7.564 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 21.098 -18.118 -19.741 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 21.308 -18.278 -18.821 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 20.638 -18.908 -20.031 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 13.731 -12.911 -10.644 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 13.541 -12.001 -10.404 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 14.621 -13.061 -10.324 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 24.261 -7.762 -5.210 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 25.091 -8.222 -5.380 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 23.741 -8.382 -4.700 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 13.630 -14.111 3.399 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 13.040 -14.871 3.399 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 14.370 -14.401 2.869 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -11.566 -12.547 19.700 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -12.086 -12.847 18.950 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.126 -11.757 19.390 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -14.261 -21.321 18.258 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -13.781 -21.831 18.908 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -14.611 -20.571 18.738 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 20.593 -5.322 21.557 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 21.103 -4.582 21.887 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 19.763 -5.272 22.017 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 -18.885 10.059 -18.161 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 -19.105 9.129 -18.231 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 -19.405 10.369 -17.421 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -6.166 -13.245 -20.140 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -5.346 -13.115 -19.660 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -6.046 -12.755 -20.960 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 18.750 -15.851 -11.010 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 18.620 -15.321 -10.230 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 19.560 -16.341 -10.840 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 19.580 -10.584 12.677 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 19.640 -10.944 11.787 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 18.640 -10.514 12.837 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -0.804 -15.003 2.369 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -1.094 -15.123 3.279 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -1.514 -14.513 1.949 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 4.815 15.628 -19.935 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 4.725 14.698 -20.135 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 5.725 15.828 -20.155 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 20.071 8.977 20.653 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 20.171 9.587 21.373 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 20.601 9.347 19.943 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 4.014 -3.895 19.205 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 4.234 -3.475 20.035 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 3.884 -4.815 19.435 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -3.621 -9.465 23.356 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -4.531 -9.455 23.056 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -3.111 -9.655 22.566 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 18.663 -18.253 12.862 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 18.753 -17.483 12.292 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 18.453 -17.893 13.722 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 4.870 -19.430 -22.314 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 4.440 -19.830 -23.054 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 4.160 -19.210 -21.704 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 22.793 -1.673 1.270 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 21.963 -1.643 0.800 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 22.553 -1.903 2.160 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -13.214 -15.305 -4.560 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -13.614 -14.695 -5.190 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -13.774 -16.085 -4.600 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 15.207 -16.184 11.921 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 15.057 -16.054 12.861 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 14.537 -15.634 11.491 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 -0.265 -22.371 -16.137 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 -0.455 -21.491 -15.807 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 0.445 -22.691 -15.577 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 3.138 19.065 18.041 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 2.868 18.865 17.151 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 2.998 18.245 18.521 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 20.691 16.321 13.475 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 20.481 16.691 14.325 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 21.461 15.781 13.635 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 18.364 0.540 -0.525 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 19.224 0.710 -0.925 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 18.244 -0.400 -0.605 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 7.244 -0.127 16.570 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 7.724 -0.867 16.940 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 7.904 0.363 16.080 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.576 -15.865 -2.610 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.146 -16.385 -3.290 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 10.766 -16.485 -1.910 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 21.078 22.520 -2.162 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 20.838 23.330 -1.712 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 22.028 22.450 -2.032 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -14.005 -21.728 -24.336 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -13.585 -20.968 -23.936 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -14.325 -21.408 -25.186 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 5.803 -14.699 -18.160 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 5.703 -15.319 -18.890 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 4.913 -14.429 -17.950 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 23.394 11.103 8.278 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 22.964 11.923 8.528 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 22.764 10.423 8.508 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 11.554 -6.037 8.186 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 11.534 -5.097 7.986 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 11.894 -6.087 9.076 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 -22.499 -19.342 -21.270 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 -23.309 -19.842 -21.160 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 -21.939 -19.622 -20.540 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 6.153 5.890 -25.355 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 6.413 6.770 -25.645 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 6.743 5.690 -24.635 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 3.365 3.948 -16.804 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 4.315 3.828 -16.884 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 3.105 4.378 -17.614 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 3.305 -14.917 -8.644 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 2.655 -14.707 -9.324 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 3.275 -14.157 -8.054 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 19.535 -15.838 17.482 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 19.985 -16.688 17.502 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 19.365 -15.638 18.402 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -23.247 3.024 -17.701 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -24.007 2.654 -18.151 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -23.457 2.924 -16.771 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -17.946 -24.248 -10.557 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -17.686 -23.418 -10.167 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -17.466 -24.908 -10.057 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 20.796 2.052 -21.835 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 21.526 2.022 -22.455 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 20.096 1.552 -22.265 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 13.016 10.755 20.406 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 13.936 10.635 20.646 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 12.806 11.635 20.706 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 -19.546 10.568 9.597 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 -18.636 10.348 9.797 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 -20.046 9.848 9.987 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 -17.245 -3.771 -23.414 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 -16.795 -4.251 -22.724 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 -17.075 -4.271 -24.214 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 11.441 9.723 -10.227 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 11.411 10.613 -10.587 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 10.971 9.193 -10.857 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 4.298 8.445 -2.348 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 4.718 9.215 -1.968 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 3.398 8.475 -1.998 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 -20.272 -13.377 -12.559 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 -19.802 -12.747 -13.109 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 -19.832 -14.207 -12.729 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 9.058 -15.045 -5.175 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 9.708 -14.385 -5.435 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 8.578 -14.635 -4.455 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 -19.140 7.793 -13.845 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 -20.020 8.143 -13.985 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 -19.070 7.713 -12.895 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -17.504 -24.837 -16.924 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -16.814 -24.277 -17.264 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -18.014 -25.077 -17.704 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -20.531 -16.187 8.318 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -20.061 -15.527 8.818 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -19.851 -16.737 7.938 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 -14.912 -10.321 -18.112 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 -15.032 -10.311 -19.062 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 -15.592 -10.911 -17.792 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -2.272 0.277 5.356 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -3.082 0.587 4.956 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -2.512 -0.553 5.776 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 -0.549 -14.471 -4.471 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 -0.299 -15.081 -5.171 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 0.271 -14.261 -4.031 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 -1.113 -23.768 13.152 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 -0.283 -23.378 12.862 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 -1.243 -24.508 12.562 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 5.228 1.712 15.905 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 5.368 0.772 15.865 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 6.038 2.092 15.555 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 10.454 23.690 -8.378 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 11.304 23.910 -8.018 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 9.864 23.670 -7.618 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 16.771 -6.592 21.878 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 17.661 -6.482 21.538 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 16.291 -5.852 21.508 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 4.704 -4.824 -8.781 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 3.904 -5.354 -8.801 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 5.404 -5.434 -9.031 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -20.927 -1.802 14.141 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -21.427 -1.012 13.921 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -20.787 -2.242 13.301 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 15.981 19.503 -22.801 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 16.861 19.503 -22.431 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 15.821 20.423 -23.031 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -22.712 21.312 -15.331 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -22.012 21.942 -15.541 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -22.382 20.472 -15.661 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 5.946 -14.635 12.556 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 6.356 -14.655 13.426 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 6.336 -15.385 12.096 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 -22.337 5.971 -18.111 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 -21.707 6.271 -17.461 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 -22.647 5.131 -17.781 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -20.946 -9.270 11.125 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -20.256 -9.940 11.065 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -21.616 -9.670 11.675 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 9.683 -19.551 -1.561 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 9.833 -20.491 -1.531 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 9.523 -19.351 -2.481 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 -10.162 10.412 10.729 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 -10.812 9.982 10.189 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 -10.172 9.922 11.559 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 7.124 -13.366 -4.098 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 7.134 -12.906 -4.938 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 6.204 -13.586 -3.958 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -24.672 -19.619 -25.404 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -24.192 -19.429 -24.594 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -25.512 -19.179 -25.294 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 11.744 -9.420 -11.775 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 11.264 -10.250 -11.715 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 11.074 -8.750 -11.705 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -4.686 -11.595 16.774 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -4.596 -12.515 17.024 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -3.896 -11.405 16.274 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 24.754 -1.246 22.497 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 25.434 -1.456 21.857 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 23.934 -1.286 21.987 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -6.097 -25.428 11.081 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -5.327 -25.338 10.531 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -6.187 -24.588 11.521 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 8.635 1.715 4.829 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 8.815 1.495 5.739 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 9.505 1.745 4.419 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -14.743 -13.691 17.849 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -14.803 -14.441 18.439 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -15.563 -13.691 17.369 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 -15.600 22.470 2.637 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 -16.050 21.860 2.057 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 -15.290 23.170 2.057 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -24.187 -3.327 7.519 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -24.197 -2.387 7.359 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -24.017 -3.717 6.659 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -25.264 18.710 22.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -25.374 18.540 21.499 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -24.374 18.410 22.619 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -21.414 -11.442 -7.027 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -22.194 -11.982 -6.907 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -20.824 -11.992 -7.537 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -18.716 24.725 -22.224 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -19.586 24.745 -22.634 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -18.896 24.695 -21.284 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 1.504 -13.660 18.746 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 1.984 -14.400 18.376 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 2.184 -13.070 19.066 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 3.179 9.213 18.545 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 2.979 8.393 18.995 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 2.479 9.303 17.895 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 19.139 20.628 9.245 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 19.649 19.958 9.705 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 19.229 21.418 9.765 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 -11.526 22.916 16.672 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 -10.786 22.876 16.062 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 -11.636 23.846 16.862 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -20.046 -8.171 -17.641 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -20.786 -7.971 -18.201 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -19.976 -9.131 -17.661 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 5.963 -23.142 24.579 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 6.563 -22.622 25.119 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 5.893 -22.642 23.759 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 -6.554 6.892 -20.154 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 -5.804 6.352 -20.384 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 -6.324 7.772 -20.444 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 -9.327 18.381 22.471 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 -8.667 17.931 23.001 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 -10.117 17.861 22.591 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 -1.973 24.662 6.732 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 -2.623 24.022 6.452 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 -2.103 25.412 6.152 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 22.995 3.526 19.449 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 23.555 3.396 18.679 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 23.495 4.126 20.009 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 5.293 -11.627 -1.575 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 4.693 -10.917 -1.795 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 6.033 -11.207 -1.155 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 10.665 -6.762 22.687 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 10.435 -6.052 22.087 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 11.585 -6.612 22.887 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 23.921 -11.395 9.591 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 23.561 -10.845 10.281 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 24.761 -11.685 9.921 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 19.133 -20.925 6.112 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 19.963 -20.575 5.792 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 19.023 -21.755 5.642 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 -6.077 17.787 10.732 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 -6.267 18.227 11.562 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 -5.457 18.367 10.282 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 9.848 9.729 -24.304 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 9.838 10.309 -25.074 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 8.948 9.429 -24.214 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 16.209 -18.789 20.425 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 16.589 -18.009 20.025 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 16.629 -19.519 19.975 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 21.816 -1.021 -6.101 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 20.926 -0.821 -5.831 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 22.126 -1.651 -5.461 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -18.701 21.564 20.395 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -17.871 21.084 20.465 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -18.461 22.394 19.995 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 21.020 5.505 5.193 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 21.840 5.435 4.713 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 20.350 5.625 4.513 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 24.597 -12.677 -12.241 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 24.957 -12.607 -13.121 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 24.987 -13.477 -11.881 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 -7.260 2.315 -15.940 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 -8.180 2.415 -16.160 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 -7.060 3.065 -15.390 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 7.895 8.892 13.609 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 7.455 9.662 13.959 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 7.425 8.152 13.999 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 6.359 0.116 -11.431 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 6.389 1.036 -11.171 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 7.009 -0.304 -10.861 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 11.087 1.081 -10.804 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 11.287 2.021 -10.794 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 10.137 1.041 -10.744 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 24.337 6.349 -4.778 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 23.387 6.309 -4.888 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 24.577 7.229 -5.068 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 -9.702 -16.249 5.695 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 -9.332 -16.109 4.825 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 -9.472 -15.459 6.185 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 -18.296 -9.780 -0.699 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 -18.016 -8.940 -0.339 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 -18.166 -10.410 0.001 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 2.503 -24.357 -19.609 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 1.703 -24.867 -19.489 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 3.023 -24.887 -20.209 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -0.127 3.543 -17.838 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 0.373 3.103 -17.148 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 0.453 3.503 -18.598 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 0.134 -1.069 -18.276 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -0.326 -0.299 -17.926 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -0.566 -1.709 -18.426 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.736 11.185 -16.808 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 22.346 10.835 -16.168 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 21.316 11.925 -16.378 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 21.311 -16.570 -8.586 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 20.601 -16.100 -8.126 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 20.881 -17.340 -8.966 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -1.899 -0.730 19.122 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -2.739 -0.910 18.702 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -1.549 -1.590 19.352 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 9.370 -14.608 2.887 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 9.770 -15.478 2.897 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 8.450 -14.778 2.677 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 16.304 22.801 6.211 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 15.564 23.101 6.741 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 17.074 23.061 6.711 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 -8.069 -18.703 -18.304 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 -8.099 -19.503 -18.824 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 -8.849 -18.753 -17.744 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 5.465 -24.631 -8.412 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 6.325 -25.051 -8.452 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 5.665 -23.701 -8.332 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 0.634 -5.978 -9.411 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 0.854 -5.898 -8.481 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 0.464 -5.088 -9.691 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -1.660 9.152 6.748 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -0.940 8.912 7.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -2.130 8.332 6.608 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 20.460 -8.627 -0.946 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 20.160 -8.437 -1.836 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 20.000 -7.987 -0.406 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 10.348 -0.427 -5.913 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 10.158 0.153 -6.643 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 10.438 0.163 -5.163 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -24.754 -10.089 20.327 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -24.684 -11.029 20.197 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -25.674 -9.939 20.507 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 -8.205 13.260 19.760 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 -7.635 13.190 20.530 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 -7.615 13.520 19.050 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 1.499 -20.291 19.733 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 1.559 -20.711 20.593 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 1.359 -21.011 19.123 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 3.684 15.009 -1.731 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 3.734 15.819 -2.251 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 2.824 14.649 -1.951 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 22.306 21.039 -18.633 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 22.826 20.359 -19.063 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 22.896 21.379 -17.953 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 4.016 7.484 21.007 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 3.166 7.234 21.367 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 4.066 7.024 20.167 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 17.300 -22.790 -5.377 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 17.530 -23.170 -4.527 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 17.910 -22.050 -5.477 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -0.751 -16.808 -0.820 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -0.401 -16.568 -1.680 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -0.161 -16.388 -0.200 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 10.355 -15.376 -22.818 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 11.135 -15.326 -23.358 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 9.795 -16.016 -23.248 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 10.877 -20.911 14.218 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 10.527 -21.121 15.088 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 11.727 -21.351 14.198 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 10.999 22.817 -4.631 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 11.269 21.897 -4.631 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 11.499 23.207 -5.351 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 20.928 13.390 -12.205 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 21.288 14.260 -12.385 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 20.918 13.320 -11.255 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.249 -5.469 -24.751 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 3.039 -5.639 -24.221 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.049 -6.319 -25.161 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 24.755 18.940 19.711 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 23.925 19.400 19.601 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 25.145 18.940 18.831 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 12.534 -9.847 -22.177 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 13.434 -10.167 -22.077 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 12.124 -10.457 -22.797 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 -2.112 23.000 -15.062 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 -1.532 23.670 -15.412 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 -1.602 22.200 -15.082 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -24.537 19.782 -0.933 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -25.437 20.102 -0.983 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -24.367 19.672 -0.003 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 14.176 -23.238 -19.903 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 13.996 -23.798 -20.653 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 13.736 -23.668 -19.163 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 -22.074 -3.881 18.847 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 -21.464 -3.851 18.107 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 -22.504 -4.741 18.767 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 21.331 22.806 6.562 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 20.821 23.586 6.372 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 21.371 22.336 5.722 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 2.861 -18.071 -1.104 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 3.791 -18.081 -1.334 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 2.571 -17.181 -1.284 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 -1.779 7.361 22.449 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 -1.669 7.971 21.729 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 -2.709 7.141 22.449 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 15.069 -16.764 3.872 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 14.789 -17.504 4.402 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 15.209 -16.054 4.502 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 8.474 17.463 -7.878 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 9.304 17.603 -8.338 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 7.964 16.923 -8.478 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -7.702 -8.255 -23.428 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -7.962 -7.385 -23.138 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -6.822 -8.375 -23.068 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 12.204 -15.087 -6.979 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 12.014 -14.157 -6.849 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 11.674 -15.347 -7.739 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -2.630 18.353 17.092 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -3.520 18.393 17.432 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -2.290 19.243 17.222 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -17.936 -8.534 19.342 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -18.466 -7.954 18.792 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -17.336 -8.964 18.722 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 10.397 -12.804 -6.409 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 9.927 -12.004 -6.159 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 10.237 -12.894 -7.349 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -13.004 23.854 -24.688 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -12.924 24.754 -25.008 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -13.154 23.944 -23.748 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 5.415 -9.105 -1.703 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 4.535 -9.295 -1.363 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 5.885 -8.735 -0.953 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 24.521 0.590 24.709 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 24.681 1.470 24.359 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 24.791 0.010 23.999 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 3.806 -0.483 -11.478 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 3.536 -1.033 -12.218 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 4.766 -0.523 -11.478 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 15.450 -5.426 -1.594 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 15.200 -6.106 -2.214 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 14.740 -5.396 -0.954 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 11.634 -4.856 -4.587 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 12.484 -5.066 -4.977 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 11.504 -5.536 -3.927 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 14.408 23.318 14.320 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.068 23.498 13.660 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 14.678 22.488 14.710 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 -23.382 -12.705 23.740 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 -22.882 -11.895 23.620 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 -23.202 -13.215 22.940 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -15.484 9.648 -0.327 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -15.074 9.068 -0.957 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 -15.214 9.308 0.523 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 5.930 -23.853 7.523 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 5.760 -24.773 7.713 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 6.150 -23.473 8.373 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 -9.740 22.295 23.309 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 -9.620 22.055 22.389 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 -10.060 23.195 23.279 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 -13.054 -23.888 12.763 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 -13.244 -24.328 13.593 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 -12.114 -23.708 12.793 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 0.691 -7.057 -14.871 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 1.511 -6.587 -15.031 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 0.011 -6.387 -14.961 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 5.648 -11.464 11.669 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 6.128 -11.074 10.939 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 4.958 -11.984 11.259 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -5.552 -2.252 -15.557 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -5.182 -2.292 -16.437 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -4.922 -1.742 -15.047 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 0.145 21.720 -5.352 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 0.095 22.600 -5.722 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 0.495 21.170 -6.062 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 11.400 -15.041 13.909 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 10.870 -15.701 13.459 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 10.770 -14.381 14.189 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 -8.536 8.024 -1.707 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 -8.756 7.374 -2.367 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 -8.556 8.854 -2.177 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 18.704 12.926 4.089 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 19.474 12.966 4.659 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 18.064 13.516 4.499 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 -3.487 0.245 -7.401 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 -3.837 0.705 -8.161 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 -2.757 -0.275 -7.741 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 2.408 8.598 9.980 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 2.698 9.478 9.740 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 2.578 8.068 9.210 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 1.195 -16.101 -5.793 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 2.015 -16.281 -5.333 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 1.265 -16.581 -6.613 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 -13.375 -7.103 13.040 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 -14.215 -6.733 13.320 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 -13.545 -8.033 12.930 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 18.467 7.496 24.048 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 17.947 8.286 24.208 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 19.117 7.496 24.748 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 -8.609 15.735 -4.760 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 -8.029 16.295 -4.230 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 -8.239 15.775 -5.640 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 22.646 11.371 22.041 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 23.436 10.851 22.191 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 22.256 11.461 22.911 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 23.194 11.098 17.952 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 22.794 11.818 17.462 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 22.794 11.148 18.822 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -9.132 1.127 -8.691 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -9.202 0.237 -8.351 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -9.862 1.207 -9.301 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 10.064 3.586 -16.840 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 10.544 2.766 -16.970 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 9.744 3.816 -17.710 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.524 -6.998 13.839 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.684 -6.568 14.029 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 5.054 -6.828 14.619 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 -21.987 -5.045 -23.365 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 -22.507 -5.075 -22.565 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 -21.707 -4.135 -23.445 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 19.927 25.289 -19.933 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 20.697 25.099 -19.403 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 19.187 25.019 -19.393 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -5.063 16.679 3.399 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -4.643 16.839 2.549 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -4.383 16.269 3.929 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 -16.099 -15.351 2.507 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 -15.199 -15.581 2.287 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 -16.539 -15.251 1.667 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 6.275 -23.301 10.423 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 5.415 -23.501 10.803 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 6.905 -23.671 11.053 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 12.926 2.893 11.270 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 13.236 2.593 12.120 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 11.976 3.003 11.390 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 10.483 15.294 -12.802 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 9.743 15.864 -12.572 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 11.063 15.344 -12.042 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 -21.467 -7.670 -21.887 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 -22.187 -7.430 -22.477 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 -20.777 -7.040 -22.077 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -4.124 -20.842 -16.454 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -4.494 -19.952 -16.444 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -3.314 -20.762 -16.964 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 -22.753 -17.738 -3.659 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 -22.193 -18.268 -4.239 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 -22.133 -17.258 -3.109 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -1.322 -13.697 -0.567 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.132 -14.177 -0.727 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.512 -13.137 0.183 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -10.792 0.331 -20.274 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -11.012 -0.369 -20.894 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -9.902 0.591 -20.524 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 7.676 3.998 18.369 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 7.946 4.648 19.019 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 6.896 4.378 17.959 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 22.736 -20.994 0.388 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 22.886 -20.114 0.038 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 22.346 -20.854 1.248 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 -11.369 19.302 10.888 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 -12.289 19.072 10.998 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 -11.379 20.202 10.568 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 -17.665 10.092 -15.484 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 -17.725 9.672 -14.624 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 -18.245 9.572 -16.044 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -8.882 9.048 16.462 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -8.412 8.638 15.732 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -9.612 8.448 16.632 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 -3.301 2.820 -21.038 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 -3.771 2.070 -21.388 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 -2.871 3.210 -21.798 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -15.837 -21.738 1.855 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -16.417 -20.988 1.995 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -16.257 -22.238 1.155 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 -17.222 11.845 -24.459 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 -16.312 12.135 -24.429 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 -17.702 12.615 -24.779 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -16.862 -19.092 1.854 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -17.702 -18.652 1.994 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -16.422 -19.022 2.704 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 24.045 -24.360 17.051 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 24.965 -24.560 16.881 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 24.045 -23.500 17.461 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -21.566 -3.787 5.861 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -21.976 -3.837 6.721 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -20.776 -3.277 6.001 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 15.095 11.600 -8.351 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 14.495 11.100 -7.801 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 15.965 11.360 -8.041 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 8.369 -8.791 22.131 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 8.889 -9.481 22.551 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 8.959 -8.031 22.101 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 6.540 -12.320 14.196 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 6.800 -11.660 13.556 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 5.680 -12.610 13.896 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 5.601 11.709 8.314 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 5.321 12.439 7.774 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 6.191 12.099 8.954 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -16.881 -22.023 -4.896 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -17.141 -21.133 -4.636 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -17.061 -22.053 -5.836 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 16.260 8.022 6.870 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 16.090 8.672 7.560 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 15.490 7.462 6.880 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 -25.047 20.590 -14.331 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 -24.147 20.680 -14.641 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 -25.557 20.470 -15.131 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -4.206 23.155 5.618 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -4.486 23.945 5.158 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -4.876 23.005 6.278 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 -22.227 -20.809 18.072 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 -22.657 -20.439 18.842 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 -22.857 -20.689 17.362 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 -4.999 -11.737 -11.308 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 -5.179 -11.967 -10.398 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 -4.879 -10.787 -11.298 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 24.454 -16.022 19.728 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 25.364 -15.832 19.938 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 24.434 -16.962 19.558 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 13.264 -22.531 -13.105 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 13.564 -21.741 -13.555 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 13.124 -22.251 -12.205 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 14.460 -24.369 -3.284 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 13.710 -24.929 -3.064 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 14.120 -23.479 -3.234 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 3.663 5.151 8.980 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 4.093 4.401 8.570 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 2.733 4.931 8.970 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 -3.114 -14.766 6.335 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 -3.004 -15.366 5.605 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 -2.334 -14.206 6.325 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 6.575 10.815 14.799 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 5.775 10.615 15.279 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 6.505 11.745 14.579 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 7.548 -15.437 1.095 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 7.598 -15.157 0.175 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 6.788 -14.967 1.445 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 8.245 -19.056 18.086 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 7.745 -19.656 17.526 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 7.605 -18.746 18.726 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 -4.649 -0.769 -21.803 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 -5.089 0.021 -22.133 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 -4.659 -1.379 -22.543 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 -19.765 17.171 23.094 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 -19.835 17.441 24.004 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 -18.835 17.231 22.894 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -3.215 -4.389 24.569 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -2.715 -3.709 25.029 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -2.635 -4.679 23.869 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 15.290 8.816 -22.649 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 15.390 8.266 -23.429 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 16.120 9.306 -22.599 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 -0.395 24.990 -11.574 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 -1.025 24.550 -11.014 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 0.225 24.310 -11.834 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 22.594 22.588 0.659 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 23.404 22.868 1.079 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 21.924 23.178 1.019 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 4.073 21.424 -5.501 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 3.123 21.404 -5.661 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 4.363 22.254 -5.871 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.783 -25.172 9.106 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.003 -24.742 9.446 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.633 -25.202 8.156 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 2.960 0.264 -8.508 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 3.250 1.064 -8.078 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 3.240 0.364 -9.418 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 -9.250 10.087 1.651 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 -9.550 9.427 1.021 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 -8.650 10.637 1.151 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 -5.066 -14.861 10.902 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 -5.136 -14.461 10.032 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 -4.136 -14.811 11.112 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.747 -14.029 -13.745 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 1.207 -13.359 -13.225 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.297 -13.519 -14.415 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 14.291 11.381 -23.639 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 14.481 10.621 -23.079 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 13.391 11.241 -23.929 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 -7.410 -0.352 22.507 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 -6.670 -0.732 22.037 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 -7.720 0.348 21.927 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -22.397 22.357 -19.105 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -21.567 22.087 -18.715 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -22.337 23.307 -19.185 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 7.686 2.217 12.245 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 6.736 2.117 12.325 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 8.006 1.317 12.165 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -19.869 -11.135 -2.331 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -19.679 -10.785 -1.471 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -19.019 -11.165 -2.781 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 5.934 8.722 -8.714 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 6.024 9.142 -9.564 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 5.264 8.042 -8.844 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -20.406 20.216 22.565 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -20.536 19.306 22.315 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -19.896 20.596 21.855 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -21.946 19.497 -22.721 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -22.596 19.537 -22.021 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -21.826 20.397 -23.001 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -5.939 -14.135 5.309 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -5.549 -14.085 6.179 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -5.199 -14.255 4.719 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 5.321 24.097 5.516 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 6.061 24.157 4.916 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 4.761 24.847 5.276 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 7.698 14.082 -12.366 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 8.628 13.902 -12.216 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 7.658 14.372 -13.276 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -5.975 -9.250 -8.205 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -6.705 -9.770 -7.875 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -5.795 -8.620 -7.495 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.707 -18.797 14.370 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.997 -18.517 14.950 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.277 -18.937 13.520 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -24.947 12.728 -1.911 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -25.017 12.968 -0.981 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -25.687 13.158 -2.321 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 0.105 5.820 17.866 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -0.365 6.340 17.206 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -0.585 5.320 18.306 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 4.485 -2.149 -8.139 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 3.855 -1.479 -8.399 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 4.325 -2.869 -8.749 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 7.480 4.064 22.990 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 6.650 4.174 22.540 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 7.250 3.664 23.830 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 11.030 22.172 -10.690 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 10.800 22.762 -9.970 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 11.270 21.352 -10.270 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -21.397 -20.640 3.402 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -20.847 -20.050 2.892 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -21.957 -20.060 3.922 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 -24.999 -16.365 23.622 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 -25.329 -15.485 23.802 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 -24.149 -16.395 24.062 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -15.650 -15.159 -15.830 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 -15.420 -16.089 -15.950 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 -15.500 -14.999 -14.890 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -23.236 -19.357 13.826 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -22.416 -19.317 13.326 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -23.916 -19.197 13.176 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 6.111 14.403 -5.769 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 6.721 13.733 -6.079 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 6.471 15.223 -6.099 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -12.143 -6.771 -17.636 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -12.603 -6.811 -18.476 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -11.233 -6.961 -17.866 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -12.652 -22.096 -7.605 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -13.202 -22.636 -8.165 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -11.772 -22.166 -7.985 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 3.568 -12.881 -17.632 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 3.448 -12.581 -18.532 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 4.008 -12.151 -17.192 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -11.950 3.512 -22.542 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -11.510 4.262 -22.932 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -12.040 3.742 -21.612 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 -0.196 17.944 2.216 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 0.204 18.444 1.516 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 0.544 17.574 2.696 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 3.461 5.251 -0.945 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 4.141 4.581 -0.945 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 3.911 6.051 -1.205 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 8.121 12.509 -19.361 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 8.441 12.129 -18.541 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 8.671 12.119 -20.041 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 17.249 -14.403 16.476 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 18.069 -14.723 16.846 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 17.279 -13.453 16.616 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 -2.624 -4.123 -0.173 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 -2.794 -3.403 0.447 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 -2.384 -3.673 -0.983 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 25.419 -0.751 -23.298 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 25.279 -0.031 -23.908 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 25.029 -0.451 -22.478 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -20.163 -5.430 -16.131 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -19.933 -5.690 -15.231 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -19.933 -4.510 -16.181 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 -6.507 13.799 -23.706 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 -7.327 14.149 -24.056 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 -6.787 13.209 -22.996 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.374 -21.291 -6.336 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.524 -22.221 -6.146 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 21.794 -21.001 -5.626 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 -4.233 -12.089 8.358 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 -3.863 -11.789 7.528 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 -4.963 -12.659 8.108 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 24.771 18.344 16.809 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 25.721 18.494 16.789 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 24.662 17.494 16.379 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 1.625 -22.133 -18.511 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 1.545 -21.993 -17.561 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 2.125 -22.953 -18.581 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -6.277 0.251 -17.605 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -6.367 0.671 -16.745 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -6.777 0.821 -18.195 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -24.444 10.526 -17.004 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -24.364 11.396 -17.374 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -23.684 10.416 -16.444 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 21.777 2.399 -5.473 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 22.367 3.159 -5.493 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 21.727 2.119 -6.383 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -24.715 17.781 8.061 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -24.825 17.701 9.011 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -23.795 18.031 7.961 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -14.003 -4.209 -19.051 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -14.463 -4.719 -18.391 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -13.093 -4.199 -18.751 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 1.269 -22.193 12.151 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 1.199 -21.583 11.431 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 1.899 -22.853 11.851 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -8.999 14.463 -24.978 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.329 15.353 -25.038 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -9.779 13.913 -24.928 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 4.366 21.014 19.633 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 3.866 20.294 19.253 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 5.146 21.084 19.083 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 11.937 -2.552 8.129 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 11.457 -1.822 8.519 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 12.237 -3.072 8.879 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -1.682 5.635 -12.445 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -2.172 5.955 -13.205 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -1.622 4.695 -12.585 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 6.554 -22.466 -3.194 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 5.854 -23.106 -3.304 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 6.804 -22.226 -4.084 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -5.137 -5.606 -7.920 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -6.067 -5.806 -8.030 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -5.047 -4.696 -8.230 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 9.808 4.634 7.152 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 8.858 4.774 7.072 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 9.888 3.884 7.742 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 -2.054 17.257 11.372 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 -2.414 18.127 11.172 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 -2.614 16.647 10.902 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 11.995 -20.185 -13.978 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 12.885 -20.235 -14.308 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 11.465 -20.685 -14.608 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 -7.355 -20.530 14.152 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 -7.135 -19.750 13.642 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 -7.905 -20.200 14.862 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -21.943 -17.645 16.237 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -22.053 -18.545 15.947 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -22.643 -17.515 16.887 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 4.026 -8.885 18.037 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 4.826 -9.255 17.667 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 3.326 -9.315 17.547 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -9.157 -1.659 -7.651 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -9.027 -2.199 -8.431 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -10.057 -1.839 -7.381 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 -12.399 -23.917 -24.505 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 -13.229 -23.427 -24.455 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 -12.169 -24.087 -23.595 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -14.409 7.282 -16.121 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -15.289 6.952 -15.961 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -14.459 7.752 -16.951 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 -20.954 -1.651 -2.303 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 -20.564 -1.381 -3.133 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 -21.644 -1.011 -2.143 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 -1.587 4.815 5.240 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 -0.947 4.305 5.750 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 -1.767 5.575 5.780 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 20.907 -12.760 -6.198 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 21.097 -13.650 -5.898 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 21.507 -12.620 -6.928 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 -7.306 -22.161 -18.501 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 -6.536 -21.641 -18.291 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 -7.736 -21.691 -19.211 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 17.736 -16.439 0.765 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 18.216 -16.829 0.025 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 16.906 -16.909 0.785 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 16.366 4.965 2.060 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 17.296 5.135 1.930 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 16.176 5.305 2.940 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 16.358 17.433 -10.564 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 15.448 17.513 -10.274 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 16.368 16.653 -11.114 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.915 16.769 19.620 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 3.615 16.089 19.020 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 4.845 16.569 19.760 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -23.453 3.786 -21.988 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -23.483 3.696 -21.028 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -24.263 4.246 -22.208 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 7.109 -18.149 11.137 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 7.099 -19.109 11.217 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 6.549 -17.969 10.377 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 5.224 24.216 -24.644 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 5.354 24.726 -25.434 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 4.624 24.736 -24.114 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 18.154 23.862 -23.581 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 18.504 22.982 -23.451 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 17.724 23.832 -24.431 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.610 -0.852 1.379 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -16.960 -0.252 0.729 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -15.690 -0.942 1.149 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 20.321 10.558 -10.650 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.841 10.748 -11.460 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 21.121 11.078 -10.720 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 11.348 14.593 -8.869 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 12.158 14.613 -9.369 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 11.628 14.553 -7.959 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 24.857 -20.193 -4.709 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 24.557 -21.003 -4.299 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 25.087 -20.453 -5.599 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 16.285 -6.850 -6.611 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 17.115 -6.440 -6.341 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 16.395 -7.780 -6.381 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -1.114 -22.649 -4.760 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -0.644 -21.839 -4.960 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -0.744 -23.299 -5.360 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 -1.185 -2.986 -10.670 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 -0.285 -3.176 -10.920 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 -1.645 -3.816 -10.750 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 10.800 6.437 17.842 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 11.530 6.757 18.362 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 11.000 6.707 16.952 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 21.465 13.803 7.882 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 20.595 13.493 8.112 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 21.345 14.253 7.052 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -24.670 -5.450 -2.830 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -24.930 -4.790 -2.180 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -25.300 -6.170 -2.700 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 10.459 12.353 -10.688 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 10.089 12.043 -9.858 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 11.289 12.763 -10.438 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 23.838 24.784 9.924 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 23.598 24.074 9.334 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 24.738 25.004 9.694 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.016 -21.617 -20.699 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.656 -20.987 -20.369 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 17.406 -21.967 -21.499 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 3.142 -13.669 -6.164 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 2.973 -14.239 -5.414 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 3.063 -12.779 -5.814 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 2.973 17.602 -2.367 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 3.003 17.912 -3.267 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 3.843 17.802 -2.017 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -1.070 9.482 11.019 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -1.330 10.202 11.589 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -0.800 9.892 10.209 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -8.634 -1.732 -11.305 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -7.904 -2.262 -10.985 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -8.224 -0.912 -11.595 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -24.793 -21.604 -22.828 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -25.363 -21.274 -23.528 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -24.973 -21.034 -22.078 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 21.403 24.352 23.913 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 20.663 23.812 24.193 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 21.003 25.052 23.403 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 -15.369 -10.095 2.262 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 -14.819 -9.375 1.962 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 -14.769 -10.835 2.372 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 -17.305 22.568 8.712 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 -16.665 22.538 8.012 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 -17.515 21.658 8.892 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 -21.781 -14.505 22.091 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 -20.851 -14.735 22.191 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 -22.161 -14.675 22.951 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 -2.351 -17.828 -17.592 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 -2.171 -18.028 -18.512 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -3.301 -17.688 -17.562 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -13.315 -14.593 -12.226 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -13.285 -14.473 -13.176 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -12.835 -13.833 -11.886 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -9.807 3.114 18.537 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -9.857 2.214 18.857 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -9.537 3.634 19.297 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 5.795 -9.959 16.165 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 5.185 -10.319 15.525 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 6.645 -9.969 15.725 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 18.524 13.341 -21.465 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 19.174 13.991 -21.715 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 18.364 13.511 -20.535 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 -17.956 2.111 -17.743 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 -17.566 1.311 -18.103 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 -17.516 2.821 -18.213 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 -5.906 17.206 23.313 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 -6.346 16.526 22.803 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 -5.146 17.446 22.783 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -7.497 21.477 -9.862 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -8.357 21.877 -9.792 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -7.288 21.487 -10.792 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -8.715 24.392 16.996 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.085 25.082 17.156 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 24.822 17.056 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 10.346 25.132 19.462 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 10.876 25.872 19.772 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 10.336 24.522 20.202 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 18.810 0.762 -11.250 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 19.570 1.162 -11.660 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 18.260 0.482 -11.980 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 -11.446 -21.528 24.821 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 -10.556 -21.378 25.121 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 -11.556 -22.478 24.821 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -19.690 -2.156 -17.445 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -20.120 -2.996 -17.615 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -19.830 -2.006 -16.515 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 7.256 -8.610 -16.505 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 7.416 -8.860 -15.595 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 8.096 -8.770 -16.945 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 -0.070 21.583 10.319 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 -0.800 21.493 10.929 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 -0.450 21.373 9.459 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 23.773 -23.462 0.182 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 23.173 -23.742 -0.508 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 23.343 -22.712 0.592 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -0.629 17.295 -14.232 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -0.989 16.885 -13.452 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -1.009 18.175 -14.242 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -0.295 -7.430 -6.305 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -0.175 -7.940 -7.105 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 0.575 -7.060 -6.125 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 23.386 10.751 -4.365 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 22.516 10.351 -4.285 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 23.896 10.331 -3.675 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 -24.796 9.863 -10.139 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 -25.616 9.923 -9.649 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 -24.676 8.923 -10.289 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 -24.479 -16.721 -5.590 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 -23.559 -16.481 -5.460 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 -24.449 -17.581 -6.010 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -25.151 6.789 -18.359 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -24.251 6.519 -18.509 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -25.251 7.599 -18.859 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 4.308 2.403 10.134 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 4.128 1.803 10.854 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 4.188 3.273 10.504 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 15.903 -24.289 10.815 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 15.033 -24.669 10.975 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 15.723 -23.389 10.535 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -18.443 -21.749 22.592 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -18.203 -22.669 22.682 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -17.973 -21.309 23.302 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 -0.993 25.257 16.635 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 -1.233 24.777 17.435 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 -1.683 25.027 16.015 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 8.680 23.381 -0.738 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 9.500 23.621 -1.158 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 8.490 24.101 -0.138 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -12.407 1.550 -9.499 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -12.987 2.120 -10.009 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -12.927 1.280 -8.749 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -14.026 25.455 8.442 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -13.176 25.215 8.802 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -14.196 24.805 7.762 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 -15.562 5.947 3.346 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 -16.002 5.837 2.496 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 -15.442 5.047 3.656 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 -7.095 2.610 -18.951 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 -7.615 2.970 -19.681 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 -7.455 3.030 -18.171 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -0.885 -1.515 13.921 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -0.175 -1.005 14.301 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -1.515 -0.855 13.621 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 16.510 -15.816 7.729 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 16.020 -15.266 8.349 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 17.420 -15.556 7.849 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 -18.842 12.685 19.556 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 -19.592 12.945 19.006 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 -18.652 13.465 20.076 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 5.630 11.195 4.716 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 5.560 10.295 4.396 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 6.180 11.135 5.496 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 -12.855 -24.160 -16.055 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 -13.005 -25.090 -15.925 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 -12.235 -24.110 -16.775 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 13.393 11.675 4.315 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 12.603 12.055 3.925 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 13.173 11.545 5.235 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 25.204 1.124 -15.530 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 24.424 0.744 -15.950 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 25.394 0.534 -14.800 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 16.197 13.892 -8.670 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 17.147 13.892 -8.840 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 15.987 12.982 -8.490 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 0.596 1.233 4.499 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 0.486 1.993 3.939 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -0.204 1.203 5.029 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 9.114 12.050 -4.424 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 9.224 12.870 -3.944 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.854 12.320 -5.304 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -18.084 17.450 -16.026 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -17.724 17.710 -15.186 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -17.364 17.010 -16.466 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 -12.545 20.504 8.751 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 -12.415 21.424 8.991 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 -11.965 20.354 8.011 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 23.563 17.206 9.762 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 23.383 18.036 9.332 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 22.733 16.736 9.752 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -6.740 20.701 1.205 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -7.300 21.121 0.545 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -6.640 21.371 1.885 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 23.346 1.962 -11.049 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 23.166 1.832 -10.119 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 22.576 1.602 -11.499 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 -10.222 -14.917 12.743 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 -11.172 -14.857 12.573 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 -10.062 -14.277 13.433 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 -23.899 4.299 -3.361 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 -23.829 5.129 -3.831 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 -24.399 3.729 -3.941 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 23.571 14.639 -8.304 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 22.751 14.569 -7.824 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 23.531 15.499 -8.724 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 -1.957 12.312 -4.941 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 -1.317 13.002 -5.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 -2.617 12.392 -5.631 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 23.291 -7.800 2.025 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 23.121 -6.890 2.265 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 24.241 -7.890 2.085 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 -15.003 -16.174 -10.105 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 -15.693 -15.524 -10.195 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 -14.493 -16.094 -10.915 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 -9.134 -12.212 -22.295 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 -9.174 -12.972 -21.715 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 -8.574 -11.582 -21.845 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 2.750 -10.335 -13.961 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 2.140 -9.985 -14.621 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 2.400 -10.015 -13.131 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 6.277 -6.792 -24.335 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 7.077 -7.182 -23.975 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 6.537 -5.912 -24.605 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 20.539 2.652 -15.221 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 21.439 2.992 -15.151 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 20.559 2.082 -15.981 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 14.505 17.702 6.993 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 14.485 18.642 6.833 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 14.905 17.612 7.863 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 -1.723 -3.998 13.392 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 -0.783 -4.168 13.492 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 -1.793 -3.048 13.292 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 20.927 -1.972 -0.953 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 19.987 -1.982 -1.083 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 21.237 -1.252 -1.513 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -7.080 23.581 -0.381 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -7.230 24.061 -1.191 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -7.720 23.951 0.229 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 3.737 10.961 20.921 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 4.147 11.651 20.391 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 3.457 10.301 20.291 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 13.677 -1.518 -23.291 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 13.357 -1.928 -24.101 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 13.257 -2.008 -22.591 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 9.838 9.163 -15.963 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 9.988 10.093 -15.773 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 10.688 8.753 -15.813 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.529 -9.423 25.152 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 23.989 -10.193 25.492 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 24.139 -9.043 24.522 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 23.777 -5.865 -7.132 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 23.477 -6.455 -7.822 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 24.027 -6.445 -6.412 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 16.524 7.002 20.600 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 15.764 6.672 20.130 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 16.194 7.752 21.100 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 17.687 -12.351 2.125 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 18.457 -12.901 1.965 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 17.887 -11.531 1.685 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 16.574 7.129 10.550 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 16.734 7.709 9.800 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 17.284 6.489 10.520 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -9.846 -11.852 -17.564 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -9.496 -11.312 -18.274 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -9.326 -11.602 -16.804 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 -4.011 5.178 21.589 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 -4.891 5.058 21.239 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 -3.451 5.258 20.819 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 13.247 0.759 5.666 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 13.877 0.409 5.026 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 12.647 1.299 5.146 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 14.318 -4.685 -13.911 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 14.838 -5.475 -14.041 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 13.838 -4.845 -13.091 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -1.295 -0.903 -13.213 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -1.425 -1.843 -13.123 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -0.715 -0.813 -13.973 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 2.556 14.864 10.219 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 2.496 14.484 11.099 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 3.496 14.854 10.019 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -24.956 -19.792 -12.841 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -25.146 -18.972 -13.281 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -24.916 -19.562 -11.911 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 5.007 -14.504 21.832 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 4.707 -13.744 21.352 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 5.577 -14.974 21.222 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 -5.914 -7.627 -19.718 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 -6.724 -7.277 -20.068 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 -5.344 -7.717 -20.488 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 -7.661 11.762 14.645 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 -7.001 12.382 14.335 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 -7.211 10.922 14.635 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 18.607 15.444 -24.131 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 18.187 15.394 -23.281 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 19.397 14.904 -24.041 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 -0.312 19.136 -20.820 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 0.458 19.186 -21.380 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 -0.382 18.216 -20.580 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 21.959 -13.976 8.329 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 21.449 -13.336 8.829 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 22.639 -13.446 7.899 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 24.374 24.207 19.689 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 24.834 24.097 20.529 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 24.974 23.837 19.039 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 -4.422 5.100 13.472 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 -4.572 4.700 12.622 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 -3.652 5.650 13.352 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -10.179 -22.632 14.161 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -10.229 -23.152 13.361 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -9.669 -21.852 13.911 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 15.040 25.024 -16.118 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 15.020 24.534 -16.938 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 15.880 24.784 -15.718 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 0.828 -1.552 -5.268 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 0.448 -1.432 -4.398 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 1.748 -1.772 -5.098 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -21.634 6.531 24.136 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -21.634 6.721 25.076 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -21.584 5.581 24.086 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 9.998 -4.657 -8.011 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 9.528 -5.477 -7.911 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 10.348 -4.467 -7.141 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -13.173 6.753 -11.408 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -13.983 6.273 -11.248 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -13.073 7.323 -10.648 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -24.500 15.201 5.213 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -23.580 15.361 5.433 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -24.550 15.331 4.273 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 20.783 -11.923 9.966 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 20.543 -12.403 10.756 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 21.613 -11.503 10.176 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 -10.261 -10.436 -14.345 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 -11.111 -10.086 -14.615 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 -9.941 -9.806 -13.705 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 3.379 -10.537 2.392 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 3.149 -10.827 3.282 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.939 -11.177 1.822 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 21.865 6.634 7.541 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 21.505 6.454 6.671 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 22.805 6.484 7.441 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 -21.875 -7.613 9.277 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 -20.995 -7.973 9.217 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 -22.405 -8.343 9.617 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -0.813 1.469 -20.460 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -1.363 2.129 -20.880 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -0.733 0.769 -21.100 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 21.013 -24.078 -3.049 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 20.233 -24.498 -2.689 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 20.993 -24.268 -3.979 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 3.229 -23.489 10.479 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 2.539 -23.079 9.959 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 3.539 -24.209 9.939 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -20.482 17.009 -16.101 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -19.622 16.629 -15.921 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -20.352 17.549 -16.881 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 -5.033 -7.370 17.080 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 -4.453 -7.940 17.580 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 -4.613 -7.310 16.220 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 -23.665 10.851 -3.470 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 -23.765 11.301 -2.630 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 -24.355 11.221 -4.020 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -16.931 -2.245 -13.801 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -16.801 -1.785 -14.631 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -16.581 -1.655 -13.141 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 16.497 3.551 4.893 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 17.327 4.021 4.943 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 16.587 2.841 5.533 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 -23.145 4.636 11.446 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 -23.765 4.766 12.156 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 -23.655 4.226 10.746 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 24.313 13.871 -23.221 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 25.183 14.011 -22.851 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 24.393 14.121 -24.141 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 13.593 -7.552 14.954 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 12.813 -7.422 15.494 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 13.493 -6.942 14.224 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -18.983 -18.649 5.826 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -18.523 -19.219 5.206 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -18.293 -18.309 6.386 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 2.244 19.753 15.217 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 1.354 19.833 14.867 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 2.484 20.643 15.467 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -19.383 -18.150 -19.255 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -20.093 -18.130 -18.615 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -18.953 -18.990 -19.105 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 24.646 9.383 23.005 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 25.116 9.723 22.245 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 25.116 8.573 23.235 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 14.824 -17.279 -0.752 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 15.414 -17.709 -1.362 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 14.314 -16.679 -1.292 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 22.306 -9.771 17.256 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 22.076 -8.951 16.836 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 22.136 -10.441 16.596 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 -3.043 -11.435 -22.765 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 -3.253 -10.645 -23.275 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 -3.853 -11.615 -22.275 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -6.404 -23.363 -23.349 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -7.034 -22.703 -23.609 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -6.714 -23.693 -22.509 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 1.721 18.742 -22.525 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 1.701 17.852 -22.885 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 2.001 19.292 -23.255 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 3.263 5.362 -19.118 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 2.563 5.912 -18.778 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 3.853 5.982 -19.568 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 1.733 -10.574 8.175 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 1.423 -9.694 7.965 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 2.683 -10.524 8.065 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 23.413 -12.216 -3.463 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 24.203 -11.956 -3.943 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 23.423 -11.676 -2.673 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -6.284 -7.623 -16.832 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -6.884 -7.863 -17.532 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -5.594 -8.283 -16.862 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 19.593 15.894 -2.227 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 18.813 16.364 -2.537 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 19.713 16.204 -1.327 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -14.686 -22.520 9.627 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -15.136 -22.710 10.447 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -14.656 -23.360 9.167 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 23.537 -19.751 -10.560 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 24.487 -19.611 -10.540 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 23.267 -19.421 -11.420 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 16.816 8.335 0.180 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 17.346 8.815 -0.460 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 16.776 7.435 -0.160 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -7.695 -6.421 -8.298 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -8.095 -7.201 -7.918 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -8.425 -5.911 -8.638 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 -20.693 24.725 19.882 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 -20.313 24.075 20.472 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 -21.203 25.295 20.452 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 1.057 14.127 -15.407 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 1.887 13.697 -15.187 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 1.207 15.047 -15.177 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 1.666 -16.388 -22.656 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 0.796 -16.228 -23.026 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 2.236 -15.788 -23.136 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.736 17.929 23.122 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.156 17.509 22.492 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -22.196 18.059 23.902 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 13.703 -25.290 -13.549 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 13.913 -25.650 -14.409 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 14.013 -24.390 -13.569 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 21.173 4.425 1.931 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 20.823 3.615 1.551 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 21.323 5.005 1.191 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -22.057 -5.526 22.191 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -22.667 -6.226 21.981 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -22.467 -5.046 22.901 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 24.495 14.855 11.756 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 24.275 15.545 11.126 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 23.645 14.555 12.076 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 5.503 -21.940 -7.429 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 5.043 -21.100 -7.379 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 6.233 -21.780 -8.029 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 -19.404 -10.517 20.731 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 -19.994 -10.127 20.091 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 -18.544 -10.177 20.491 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -4.035 -4.476 -15.675 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -4.355 -4.096 -14.855 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -3.085 -4.486 -15.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -11.724 -22.818 18.530 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -11.804 -22.458 17.640 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -11.704 -23.768 18.400 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 15.441 -7.335 -13.304 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 16.311 -7.115 -12.964 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 15.371 -8.285 -13.184 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 -15.123 3.197 3.917 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 -15.833 2.607 4.187 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 -14.653 2.717 3.227 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -0.040 8.202 13.659 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -0.080 8.622 12.799 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 0.200 8.902 14.269 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -19.285 -9.548 16.075 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.225 -8.728 16.575 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -18.575 -10.088 16.425 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 -9.793 20.363 0.433 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 -9.823 20.223 -0.517 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 -10.273 19.613 0.803 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 -1.432 6.885 -16.741 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 -2.082 7.565 -16.901 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 -1.952 6.125 -16.451 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -19.896 11.981 -15.815 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -19.386 12.651 -16.275 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -19.246 11.401 -15.425 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 -15.802 18.149 1.112 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 -15.632 17.969 0.192 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 -16.112 17.319 1.462 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 -13.473 2.353 1.202 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 -12.853 2.773 1.802 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 -12.973 2.203 0.402 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -18.081 6.321 -24.951 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -18.541 5.501 -24.751 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -17.921 6.281 -25.901 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 6.350 19.571 -9.880 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 6.780 19.811 -9.060 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 6.720 20.171 -10.530 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 -17.110 17.586 22.842 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 -16.280 17.836 22.432 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 -17.130 18.056 23.672 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 -15.939 8.685 15.797 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 -15.829 9.245 15.027 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 -16.289 7.865 15.447 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 7.845 -15.395 22.189 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 8.235 -16.155 22.609 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 6.905 -15.495 22.339 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 8.280 -24.026 -14.970 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 8.680 -24.886 -14.950 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 8.790 -23.536 -15.610 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 -21.299 13.095 -12.730 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 -21.269 14.035 -12.920 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 -20.519 12.735 -13.150 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -9.585 -20.449 -5.756 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -9.435 -21.239 -5.236 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -9.575 -19.739 -5.116 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 4.607 -17.881 3.962 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 4.787 -18.691 3.492 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 5.397 -17.721 4.482 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -13.930 12.100 -14.039 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -13.110 12.590 -14.059 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -14.280 12.260 -13.159 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -22.116 16.859 12.589 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -21.446 16.999 11.919 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -22.916 16.679 12.089 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 5.007 15.046 4.229 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 4.827 14.486 4.989 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 4.227 15.586 4.149 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 11.126 -8.668 -15.029 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 11.496 -8.058 -14.399 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 11.586 -9.488 -14.859 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -16.406 24.474 15.826 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -15.796 23.874 16.266 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -17.236 24.364 16.296 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 23.191 -14.340 3.957 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 22.471 -14.550 4.537 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 23.901 -14.930 4.217 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 14.747 -3.785 -21.378 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 15.287 -3.575 -22.138 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 15.377 -4.075 -20.718 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 1.908 9.665 -15.051 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 1.408 8.845 -15.081 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 2.818 9.395 -15.091 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 10.014 -16.542 19.651 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 9.674 -17.002 18.881 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 10.654 -15.922 19.301 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 12.790 21.506 -19.024 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 12.990 21.576 -18.094 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 13.020 20.606 -19.254 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 15.254 -3.239 -2.909 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 14.364 -3.089 -3.219 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 15.244 -4.129 -2.569 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 17.958 15.480 6.533 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 18.848 15.820 6.553 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 17.778 15.210 7.443 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -14.811 17.849 21.444 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -13.881 17.779 21.674 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -14.921 17.229 20.724 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 23.730 17.154 5.849 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 23.150 16.854 6.549 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 24.590 16.804 6.079 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 9.644 12.843 14.857 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 10.034 12.283 15.527 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 10.394 13.133 14.327 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 8.228 -5.088 -14.405 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 7.748 -4.268 -14.505 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 7.578 -5.768 -14.545 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.527 -0.340 -24.998 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 20.157 -0.020 -24.168 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.367 0.120 -25.068 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 9.764 -17.984 -23.994 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 10.624 -17.834 -24.384 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 9.894 -18.734 -23.414 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 11.701 -13.189 -21.068 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 12.541 -13.259 -20.628 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 11.461 -12.269 -20.988 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 -9.732 5.535 -23.042 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 -9.972 6.375 -23.412 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 -9.782 5.665 -22.092 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 -10.247 -15.738 -4.909 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -11.137 -15.538 -5.219 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 -9.877 -16.318 -5.579 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 18.995 22.535 0.060 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 19.415 23.385 0.190 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 19.205 22.295 -0.850 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 -25.032 -12.975 4.640 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 -25.102 -12.705 5.560 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 -24.982 -13.925 4.670 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 9.355 19.817 -3.931 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 9.215 20.047 -3.011 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 10.195 20.227 -4.151 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 -10.002 -5.048 -9.565 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 -10.892 -5.008 -9.205 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 -10.122 -5.298 -10.475 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 13.969 -20.497 20.325 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 13.599 -20.397 21.205 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 14.689 -19.857 20.295 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 6.044 -12.873 17.076 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 6.684 -12.913 16.366 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 5.644 -12.013 16.996 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 20.094 -1.452 8.230 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 19.944 -2.392 8.120 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 20.854 -1.402 8.820 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 18.567 12.794 -15.718 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 17.787 12.264 -15.598 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 18.237 13.624 -16.058 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 2.880 -19.473 16.034 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 2.740 -19.813 16.914 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 2.300 -20.003 15.474 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 -20.191 -12.774 -4.691 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 -20.121 -11.824 -4.571 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 -19.501 -12.984 -5.321 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 19.083 -5.051 2.659 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 18.503 -4.401 3.059 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 19.303 -5.651 3.369 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 7.665 24.507 2.591 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 7.805 24.937 3.431 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 8.235 24.967 1.981 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 17.841 0.428 14.016 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 17.961 -0.332 13.446 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 18.701 0.858 14.026 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -4.020 -17.261 -2.226 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -3.190 -17.071 -1.796 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -4.060 -16.651 -2.956 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 -21.604 6.004 -23.430 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 -22.034 5.194 -23.150 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -20.754 5.994 -22.990 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 -12.056 -3.902 6.635 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 -11.206 -4.142 7.005 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 -12.306 -4.652 6.085 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 2.308 3.483 4.913 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 1.858 3.993 4.243 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 2.398 2.613 4.533 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -16.944 -21.426 8.189 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -17.084 -22.136 7.549 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -16.604 -21.876 8.969 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -19.732 12.054 7.172 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -19.422 12.364 8.022 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -20.322 11.334 7.372 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -8.212 -1.353 19.623 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -9.062 -1.293 20.063 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -7.892 -2.233 19.823 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 6.174 21.320 16.999 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 5.504 20.670 17.209 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 5.774 21.860 16.319 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 -0.173 1.849 -8.109 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 -0.683 1.769 -8.919 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 0.277 1.009 -8.029 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 7.934 -16.545 16.442 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 8.634 -15.995 16.792 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 8.264 -17.435 16.552 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 15.306 11.414 18.005 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 15.236 12.314 17.705 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 15.296 10.894 17.205 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 1.010 14.546 20.546 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 1.500 14.886 19.796 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 0.220 14.166 20.166 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 -8.694 -5.822 -14.035 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 -8.394 -6.402 -13.345 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 -7.894 -5.602 -14.525 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 6.026 -3.631 16.265 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 5.186 -3.771 15.825 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 5.786 -3.171 17.075 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -23.383 24.826 16.572 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -22.943 25.546 17.012 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -23.273 24.076 17.162 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 0.627 21.018 -10.724 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 0.127 20.218 -10.534 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 1.017 20.858 -11.584 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 -2.507 7.980 -2.974 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 -2.847 8.720 -2.464 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 -2.077 8.380 -3.724 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 1.011 -11.660 -11.685 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 0.581 -11.390 -10.875 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 1.921 -11.410 -11.575 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 6.294 8.482 18.552 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 5.424 8.412 18.952 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 6.814 7.802 18.982 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 19.084 6.201 16.346 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 19.384 5.311 16.516 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 18.804 6.521 17.206 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 19.689 -22.751 -23.210 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 20.489 -23.201 -23.470 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 18.989 -23.241 -23.640 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 -15.165 -10.161 6.236 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 -14.405 -10.381 6.776 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 -15.155 -10.801 5.526 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 24.025 0.537 -4.606 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 23.495 -0.183 -4.956 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 23.395 1.227 -4.416 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -11.444 18.589 2.305 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.254 19.109 2.305 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.284 18.399 3.235 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 17.236 -20.009 -0.155 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 17.286 -20.279 -1.065 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 17.886 -19.319 -0.065 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 9.303 -1.115 -9.033 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 9.773 -1.805 -9.493 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 9.823 -0.965 -8.233 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 -22.754 -23.697 18.636 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 -22.924 -22.837 18.236 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 -21.844 -23.657 18.906 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 -12.835 4.284 18.179 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 -11.995 4.654 17.899 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 -12.695 4.024 19.089 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 23.029 -19.495 16.533 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 23.069 -20.405 16.223 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 23.549 -19.495 17.333 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 -17.197 -3.937 11.072 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 -17.577 -3.857 11.952 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 -17.877 -4.387 10.562 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -10.662 9.902 13.320 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -10.142 9.192 13.700 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -10.312 10.702 13.730 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -9.695 -16.486 0.470 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -9.185 -17.286 0.280 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -9.795 -16.066 -0.380 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 23.724 17.238 -9.733 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 23.944 17.698 -10.533 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 22.984 17.738 -9.373 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 3.047 8.959 7.139 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 3.807 9.399 6.759 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 2.457 9.659 7.399 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 -1.626 10.900 4.700 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 -2.126 10.590 3.940 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 -1.706 10.190 5.330 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 3.419 -0.219 2.159 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 2.899 0.371 1.629 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 2.799 -0.609 2.769 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 1.404 -17.479 24.752 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 1.764 -16.619 24.522 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 0.454 -17.359 24.682 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -19.163 0.828 17.622 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -18.373 0.298 17.652 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -18.873 1.708 17.862 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 17.944 1.354 -16.695 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 17.874 1.934 -17.455 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 17.164 1.554 -16.175 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 -0.061 -15.021 5.710 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 0.039 -14.421 4.970 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 0.769 -15.511 5.730 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 -1.514 -7.976 -8.931 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 -2.454 -7.896 -9.101 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 -1.144 -7.146 -9.211 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 23.374 14.460 -1.685 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 23.104 14.770 -0.815 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 23.194 15.200 -2.265 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 0.867 23.156 15.337 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 0.647 24.086 15.267 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 0.037 22.736 15.547 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -12.309 -22.671 3.886 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.479 -23.111 4.056 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.089 -21.741 3.856 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 -16.964 0.655 -13.315 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 -16.144 1.105 -13.105 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 -17.404 1.235 -13.935 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 -8.131 15.616 -21.719 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 -8.311 16.446 -21.269 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 -7.281 15.736 -22.119 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 10.248 -23.980 5.835 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 9.408 -23.590 5.565 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 10.118 -24.230 6.745 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 -4.722 -0.086 3.118 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 -4.662 -0.796 2.478 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 -5.402 0.484 2.778 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 18.120 -9.201 16.155 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 18.360 -9.891 16.775 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 17.380 -8.761 16.575 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 14.198 -2.081 -6.749 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 13.998 -1.681 -7.589 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 13.398 -1.971 -6.229 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 -7.013 22.271 4.611 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 -6.083 22.331 4.821 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 -7.123 21.381 4.281 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 -5.587 1.623 0.900 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 -6.007 2.323 1.400 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 -6.107 1.573 0.090 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 7.021 -1.317 24.537 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 6.801 -0.577 25.107 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 7.411 -1.967 25.117 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 0.129 10.932 17.419 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 0.649 10.332 16.879 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 -0.641 11.122 16.889 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 19.988 12.705 23.225 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 19.388 12.065 23.605 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 20.538 12.995 23.955 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 -21.843 -23.033 13.256 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 -22.593 -22.473 13.446 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 -21.323 -22.533 12.626 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 -7.140 2.206 -11.194 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 -6.800 2.956 -10.714 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 -8.030 2.456 -11.434 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 7.724 7.644 -2.472 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 8.444 8.234 -2.252 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 7.364 7.984 -3.292 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 6.406 -10.809 -24.566 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 5.606 -10.869 -24.046 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 6.236 -10.099 -25.176 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 -0.171 -19.497 -16.673 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 -0.711 -18.737 -16.883 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 -0.491 -20.197 -17.243 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 9.987 0.810 7.276 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 10.487 0.030 7.506 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 10.137 1.410 8.006 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 -7.650 23.666 -24.829 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 -7.020 23.266 -25.429 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 -8.400 23.896 -25.379 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 -7.060 -0.820 1.779 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 -7.470 -1.640 1.499 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 -6.770 -0.410 0.959 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 2.347 -14.379 24.857 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 2.307 -14.349 23.897 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 2.257 -13.469 25.127 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 4.651 13.987 12.686 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 5.171 13.817 13.466 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 3.941 13.347 12.726 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 -0.297 4.273 -6.698 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 -0.177 3.513 -7.258 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 0.593 4.503 -6.408 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 -15.059 -24.464 -6.697 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 -14.299 -24.194 -6.177 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 -15.809 -24.044 -6.267 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 18.576 21.490 24.707 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 19.336 21.250 24.177 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 18.356 20.680 25.187 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 1.145 -20.875 14.885 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 1.185 -21.155 13.965 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 0.265 -21.125 15.165 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 4.593 -16.632 -15.906 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 4.033 -16.772 -16.676 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 4.403 -15.742 -15.636 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 -7.179 24.155 -11.339 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 -7.209 25.105 -11.439 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 -8.049 23.915 -11.019 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 8.510 9.904 -11.135 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 7.810 10.304 -11.645 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 8.360 8.964 -11.225 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 7.086 19.814 -1.087 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 6.306 20.324 -1.337 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 7.186 19.984 -0.147 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 9.481 3.276 0.632 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 9.031 4.076 0.352 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 10.101 3.576 1.302 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 -9.177 -4.516 -6.545 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 -8.767 -3.796 -6.055 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 -8.447 -5.056 -6.835 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -3.115 17.574 -1.287 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -2.195 17.324 -1.207 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -3.505 17.354 -0.437 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -0.134 -17.194 -13.373 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -0.464 -16.844 -12.553 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 0.416 -16.494 -13.733 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 9.625 -17.869 5.051 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 10.395 -17.869 5.621 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 9.755 -18.629 4.481 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 -15.407 6.385 -10.119 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 -15.837 6.885 -9.419 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 -15.937 5.585 -10.189 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -14.565 0.190 -0.178 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -13.625 0.240 -0.318 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -14.915 0.970 -0.608 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 -0.254 11.901 14.492 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 -0.234 12.481 13.732 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 0.666 11.831 14.762 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 3.611 -16.358 -4.361 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 4.401 -15.948 -4.011 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 3.881 -16.748 -5.191 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 2.370 -19.535 11.640 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 2.490 -19.235 12.540 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.220 -19.905 11.390 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -14.963 16.657 -14.725 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -14.493 16.797 -13.905 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -14.503 15.917 -15.135 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -21.139 -21.626 10.733 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -21.159 -20.686 10.883 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -21.479 -21.736 9.843 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 24.310 -5.235 21.559 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 24.770 -4.425 21.749 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 23.450 -5.125 21.959 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -6.426 13.945 12.879 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -5.956 14.595 13.409 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -5.786 13.255 12.709 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 1.821 -22.928 -2.439 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 1.331 -22.108 -2.289 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 1.481 -23.538 -1.789 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -7.375 -17.800 24.481 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -7.945 -18.310 25.061 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -7.365 -16.930 24.861 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 23.424 2.800 -3.261 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 22.694 2.340 -2.861 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 23.954 3.100 -2.521 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 -13.881 11.461 24.057 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 -13.891 10.541 24.327 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 -14.621 11.541 23.447 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -13.356 -11.887 23.986 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -14.296 -11.967 23.816 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -12.966 -12.607 23.496 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 13.784 3.885 -6.578 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 14.064 3.075 -7.008 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 13.954 4.575 -7.228 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -17.932 -11.337 1.612 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -18.392 -11.237 2.442 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -17.112 -10.877 1.732 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 2.636 16.561 13.902 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 2.636 17.011 13.062 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 3.466 16.801 14.312 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 11.177 -13.900 24.769 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 10.807 -14.160 23.919 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 11.667 -13.100 24.579 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 2.473 -5.819 -20.521 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.683 -6.419 -21.231 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 2.073 -5.069 -20.951 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 0.984 2.509 -24.891 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 1.284 1.759 -24.381 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 1.474 3.249 -24.531 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 4.534 -10.902 7.801 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 4.324 -11.752 8.181 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 5.334 -10.632 8.231 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -19.954 -22.959 17.446 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -20.524 -22.189 17.516 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -19.124 -22.679 17.826 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -24.422 5.371 15.326 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -24.852 6.041 14.796 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -24.402 4.601 14.766 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -25.376 6.585 9.576 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -25.176 5.715 9.236 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -24.526 6.935 9.856 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 4.198 3.599 -24.331 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 4.238 3.569 -25.291 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 4.558 4.459 -24.101 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 3.554 -20.838 -24.219 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 3.684 -21.778 -24.299 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 2.704 -20.678 -24.629 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 17.805 16.542 12.853 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 18.005 15.622 12.703 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 18.655 16.972 12.893 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 18.638 -8.741 23.162 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 19.238 -8.921 22.432 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 17.998 -8.121 22.802 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 17.585 -23.416 17.422 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 17.515 -24.216 16.902 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 16.695 -23.076 17.472 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -12.696 1.390 17.259 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -12.166 1.690 16.519 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -13.346 2.090 17.389 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 19.888 -12.730 -11.895 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 19.698 -12.750 -10.955 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 20.128 -13.630 -12.105 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 17.353 18.749 -2.975 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 17.543 19.369 -3.685 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 17.593 19.209 -2.175 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 -8.950 21.222 -2.098 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 -9.140 22.082 -2.468 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 -7.990 21.172 -2.058 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 17.976 -23.759 8.405 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 18.406 -23.809 9.255 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 17.976 -22.829 8.195 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 19.645 -21.898 15.865 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 18.915 -22.058 15.275 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 19.745 -22.718 16.355 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 -11.680 -17.162 23.307 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 -11.850 -17.822 22.637 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 -11.330 -17.662 24.047 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 -23.462 15.133 -24.128 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 -24.282 15.583 -23.918 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 -23.052 15.663 -24.808 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 6.197 15.458 20.082 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 6.997 15.328 19.582 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 6.327 14.958 20.882 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -6.043 -14.458 8.146 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -5.303 -14.938 7.756 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -6.783 -14.668 7.586 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -12.009 -24.667 10.302 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -12.679 -24.557 10.972 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -11.299 -24.097 10.572 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -15.751 11.471 22.136 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -16.381 11.681 21.446 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -15.051 12.121 22.036 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -20.731 -5.656 -9.368 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -21.581 -5.606 -9.808 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -20.931 -5.486 -8.438 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 -18.726 -9.005 13.521 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 -18.906 -9.875 13.141 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 -18.676 -9.165 14.461 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -7.223 -0.845 9.314 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -7.563 -1.195 8.484 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -7.943 -0.345 9.674 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -17.471 23.438 4.294 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -16.661 23.188 3.864 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -17.281 24.288 4.684 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -19.913 -13.080 -8.514 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -19.523 -13.720 -7.904 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -20.803 -13.410 -8.654 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 -10.045 4.542 24.363 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 -10.465 3.702 24.543 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 -9.665 4.812 25.203 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 1.198 13.484 5.151 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 0.298 13.494 5.471 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 1.148 13.874 4.281 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 15.960 -0.389 -18.558 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 15.610 0.401 -18.968 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 16.750 -0.099 -18.098 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.725 21.286 -16.851 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 16.975 20.426 -16.541 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.765 21.846 -16.071 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -22.887 -23.805 -2.061 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -23.807 -23.865 -2.331 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -22.557 -23.025 -2.491 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 23.805 7.511 -9.410 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 23.915 6.571 -9.580 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 23.705 7.901 -10.280 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -11.709 -9.493 -22.065 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -11.179 -8.693 -22.115 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -11.159 -10.153 -22.485 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 -6.769 -17.272 2.035 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 -7.679 -17.122 2.285 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 -6.609 -18.192 2.235 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -17.530 -15.319 -9.702 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -18.330 -15.789 -9.902 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -17.810 -14.549 -9.222 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 -10.767 -10.215 18.239 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 -10.337 -9.415 18.539 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 -10.097 -10.895 18.289 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 -12.542 19.030 -24.483 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 -13.022 18.630 -25.203 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 -12.082 19.780 -24.873 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -18.551 11.614 22.199 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -18.541 10.654 22.209 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -18.151 11.854 21.359 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -17.135 -22.058 -15.613 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -17.495 -21.988 -16.503 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -16.295 -22.488 -15.733 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 -16.390 3.459 -6.965 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 -17.270 3.379 -6.595 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 -16.210 2.589 -7.305 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 4.073 21.993 -22.691 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 4.793 21.383 -22.531 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 4.493 22.783 -23.021 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 -11.016 24.812 5.822 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 -10.466 25.342 6.392 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 -10.696 23.922 5.942 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 16.708 -18.609 -18.975 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 17.288 -18.439 -18.235 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 15.848 -18.299 -18.675 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 12.636 4.489 20.959 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 12.776 3.549 20.949 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 12.376 4.709 20.069 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 -22.893 9.977 -12.304 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 -22.383 10.757 -12.504 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 -23.673 10.307 -11.854 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 24.570 8.860 -2.639 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 25.460 9.110 -2.889 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 24.650 7.960 -2.319 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 6.463 -6.365 16.386 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 6.113 -5.485 16.476 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 6.533 -6.695 17.286 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 2.085 13.938 24.682 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 1.935 14.708 25.232 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 2.405 14.288 23.852 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 18.603 -12.126 8.545 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 19.483 -12.166 8.935 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 18.373 -13.046 8.395 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 23.971 -12.661 2.056 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 23.781 -13.511 2.446 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 24.441 -12.181 2.746 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 14.478 -10.035 -10.289 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.248 -10.095 -11.219 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.828 -9.425 -9.929 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -15.953 -11.439 -24.271 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -15.383 -12.149 -23.971 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -15.423 -10.649 -24.141 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 8.285 -17.144 -10.369 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 7.575 -17.634 -9.949 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 8.725 -16.694 -9.649 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 -22.292 9.791 20.962 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 -22.092 10.381 21.692 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 -21.432 9.501 20.652 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 -5.562 22.504 -13.908 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 -4.862 22.944 -14.408 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 -5.582 22.974 -13.068 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -15.907 0.423 10.146 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -16.207 -0.447 10.386 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -15.737 0.373 9.206 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 8.015 -17.649 -6.625 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 8.415 -18.219 -7.285 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 8.535 -17.789 -5.835 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -22.023 -14.930 -9.035 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -22.473 -14.800 -8.205 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -21.213 -15.370 -8.805 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 17.295 -25.042 6.052 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 17.565 -24.472 6.762 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 16.335 -24.942 6.022 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 7.437 1.231 19.209 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 6.837 1.851 19.619 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 7.597 1.591 18.339 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -24.813 6.190 -12.214 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -24.173 6.180 -11.504 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -24.523 5.490 -12.804 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 13.983 -4.991 -6.013 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 14.343 -4.141 -6.303 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 14.463 -5.641 -6.533 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 -24.343 -4.531 13.003 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 -25.223 -4.601 12.633 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 -24.453 -4.771 13.923 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 20.107 -21.446 19.558 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 20.817 -20.836 19.388 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 20.087 -22.016 18.788 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -5.684 -11.261 19.732 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.524 -11.161 20.172 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -5.354 -10.361 19.632 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 -20.395 -22.769 -16.858 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 -21.195 -22.609 -17.348 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 -19.965 -23.489 -17.328 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 -20.159 -0.615 6.055 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 -20.259 -0.335 5.145 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 -19.379 -1.175 6.045 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 -21.126 -23.709 21.938 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 -20.696 -24.569 21.958 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 -20.556 -23.169 21.388 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 -16.443 19.673 20.342 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 -15.983 19.953 19.552 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 -15.813 19.123 20.812 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.798 18.258 -5.730 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 14.558 17.618 -5.060 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 15.608 17.908 -6.100 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 -10.692 -22.248 6.538 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 -10.132 -21.948 7.248 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 -11.292 -21.528 6.378 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 13.160 -24.391 10.649 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 12.950 -23.941 9.829 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 12.760 -25.251 10.569 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -4.995 22.789 8.442 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -4.495 23.389 9.002 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -5.305 22.109 9.042 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 -15.549 -4.750 -12.028 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 -15.189 -5.550 -12.388 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 -15.789 -4.220 -12.788 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 17.280 -21.402 -12.945 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 16.890 -20.592 -12.615 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 18.200 -21.182 -13.105 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 22.854 -19.688 -16.857 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 23.204 -20.248 -17.547 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 22.924 -20.208 -16.057 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 -15.140 -23.070 -13.214 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 -14.490 -23.490 -12.644 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 -15.010 -22.130 -13.084 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 6.097 21.685 -18.144 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 5.957 21.875 -19.064 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 5.237 21.775 -17.744 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -5.177 12.769 21.305 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -4.767 13.089 22.115 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -5.157 13.519 20.715 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -6.215 -21.895 16.943 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -6.235 -21.455 16.093 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -6.995 -21.575 17.393 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 4.710 -20.184 -0.897 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 3.890 -20.364 -1.357 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 4.470 -19.574 -0.197 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 21.313 -13.946 1.835 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 21.783 -14.766 2.015 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 21.803 -13.276 2.315 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 9.793 15.404 -6.269 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 9.763 15.204 -7.199 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 9.053 15.994 -6.129 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 -2.107 -10.803 -2.854 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 -2.077 -9.853 -3.014 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 -2.457 -10.883 -1.974 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -2.250 14.932 -6.862 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -3.140 15.042 -6.522 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -1.710 15.452 -6.272 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 22.067 22.151 -21.341 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 22.457 21.311 -21.581 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 22.157 22.191 -20.391 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 4.670 -16.690 1.237 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 5.540 -16.440 1.527 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 4.120 -16.600 2.017 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 24.748 -20.213 7.441 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 24.388 -21.093 7.341 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 25.058 -20.183 8.341 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 23.616 -6.489 16.306 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 23.256 -5.879 15.666 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 23.556 -6.019 17.146 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 -16.150 7.232 20.765 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 -16.930 7.442 21.285 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 -15.470 7.052 21.415 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 10.255 -22.987 -20.796 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 11.065 -22.537 -20.556 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 10.425 -23.907 -20.606 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 -24.176 -22.215 24.156 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 -24.186 -21.425 24.686 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 -24.976 -22.675 24.396 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 13.631 22.137 9.659 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 14.121 21.397 9.319 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 14.291 22.717 10.039 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -15.183 -16.898 -7.208 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -15.333 -16.838 -8.158 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -15.403 -16.028 -6.878 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.577 13.174 6.100 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 7.867 13.124 7.010 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 6.837 13.784 6.110 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 10.361 11.252 -13.286 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 10.721 11.782 -12.576 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 10.441 10.342 -12.976 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 -22.101 -11.227 -10.891 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 -21.791 -12.027 -10.461 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 -22.431 -11.517 -11.741 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 12.997 7.124 -3.345 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 13.807 7.604 -3.215 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 12.387 7.504 -2.715 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 25.133 -13.917 -14.834 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 25.373 -13.887 -15.764 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 24.193 -14.087 -14.824 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 -6.846 -10.141 15.981 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 -6.026 -10.521 16.321 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 -6.856 -9.251 16.311 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 -16.564 8.436 -24.649 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 -16.484 8.606 -25.589 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 -17.484 8.216 -24.529 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -15.253 -12.103 21.107 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -14.653 -11.363 21.247 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -15.643 -12.263 21.957 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 -5.684 -20.809 -10.356 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 -6.134 -20.669 -11.196 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 -5.044 -20.099 -10.306 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 20.115 -21.019 12.925 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 19.295 -21.379 12.585 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 20.035 -20.079 12.805 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 18.875 -14.825 -18.110 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 18.885 -15.045 -19.040 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 19.795 -14.745 -17.870 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 19.267 -7.353 1.208 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 18.397 -7.203 0.828 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 19.507 -6.503 1.578 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 8.895 17.053 11.275 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 8.605 17.933 11.535 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 8.165 16.483 11.495 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 8.023 12.085 -0.144 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 7.513 12.145 0.656 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 8.813 12.615 0.026 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 -21.369 9.485 15.881 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 -21.999 10.075 16.301 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 -20.599 9.515 16.441 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 -16.370 -17.743 3.985 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 -16.830 -16.913 3.895 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 -15.610 -17.543 4.525 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 13.279 15.050 13.245 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 13.299 15.290 12.315 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 12.449 14.590 13.355 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 3.486 18.760 -12.731 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 4.356 18.380 -12.581 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 3.396 18.780 -13.681 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 -23.705 -14.267 -6.544 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 -23.985 -14.157 -5.634 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 -24.035 -15.127 -6.794 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -3.635 -7.693 2.345 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -3.485 -8.643 2.345 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -3.095 -7.373 1.625 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 -20.894 -10.232 1.301 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 -21.314 -10.642 0.551 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 -21.574 -10.212 1.971 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -17.412 -13.189 16.609 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -17.682 -12.489 17.199 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -17.132 -12.729 15.809 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -10.409 14.593 19.709 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -11.229 14.513 19.219 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -9.909 13.813 19.479 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 -11.873 13.614 10.591 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 -10.993 13.624 10.971 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 -12.043 12.684 10.431 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 6.996 16.752 -0.445 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 7.566 17.022 -1.175 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 7.496 16.972 0.335 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 3.726 -23.498 -24.283 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 4.606 -23.488 -24.643 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 3.166 -23.748 -25.013 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 -24.379 -12.196 -20.193 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 -23.849 -12.896 -20.563 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 -23.879 -11.396 -20.373 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 0.816 24.896 -24.988 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 0.286 24.966 -24.188 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 0.236 24.486 -25.628 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 -12.372 -7.170 -20.543 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 -12.462 -7.840 -21.223 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 -12.432 -6.340 -21.023 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -1.865 -7.935 -3.665 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -1.595 -7.895 -4.585 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -2.705 -7.485 -3.645 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 22.240 4.040 14.862 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 22.060 4.890 15.262 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 21.560 3.460 15.202 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 -9.544 -22.680 22.026 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 -8.614 -22.900 22.016 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 -9.744 -22.530 22.946 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 -20.047 5.881 5.770 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 -19.887 5.161 6.370 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 -19.877 6.671 6.290 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 16.886 19.325 -12.573 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 16.046 19.765 -12.423 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 16.706 18.405 -12.363 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 23.665 -8.646 8.456 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 24.515 -8.386 8.106 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 23.445 -9.456 7.986 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 -18.914 23.011 -17.300 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 -18.154 23.431 -16.880 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 -19.304 23.701 -17.840 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -9.589 19.765 -21.452 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -9.959 20.635 -21.592 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -8.699 19.825 -21.812 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 17.427 -10.937 25.125 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 17.747 -10.077 24.845 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 16.977 -11.287 24.355 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 -12.496 11.100 -23.279 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 -11.846 11.080 -23.979 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 -12.046 10.730 -22.519 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 1.297 -10.143 22.703 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 1.327 -10.243 23.653 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 0.427 -10.443 22.453 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 21.508 19.425 -2.353 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 20.848 20.095 -2.173 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 21.358 18.755 -1.683 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -16.335 -1.032 5.154 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -16.845 -1.292 4.384 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -15.425 -1.252 4.924 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 23.011 24.990 12.447 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 23.671 24.660 13.057 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 23.451 24.970 11.587 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 25.598 12.437 18.267 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 24.768 11.987 18.097 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 25.388 13.067 18.957 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 1.701 -10.535 -18.135 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 1.521 -9.605 -18.025 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 2.651 -10.615 -18.075 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 20.373 -19.742 -23.368 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 19.893 -19.122 -22.818 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 19.943 -20.582 -23.218 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -5.666 4.756 -17.600 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -4.796 4.376 -17.480 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -5.886 4.566 -18.510 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -14.084 17.854 11.979 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -14.144 18.234 12.859 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -14.404 18.544 11.399 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 14.307 -16.464 19.786 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 14.737 -15.804 20.326 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 14.707 -16.374 18.926 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 10.541 -10.699 15.139 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 10.581 -11.199 15.959 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 10.391 -11.349 14.459 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 9.439 10.170 2.829 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 8.929 10.960 2.999 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 10.309 10.360 3.189 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -9.362 -20.803 -19.608 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -9.962 -21.493 -19.298 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -9.932 -20.063 -19.788 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 22.178 12.968 12.292 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 22.278 12.538 13.142 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 22.668 12.418 11.682 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 11.410 -12.804 -1.940 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 11.450 -11.854 -1.800 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 11.320 -12.914 -2.880 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 -10.544 -4.284 -15.464 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 -9.684 -4.234 -15.044 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 -10.454 -3.744 -16.254 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -17.241 10.948 -2.676 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -18.051 10.978 -2.166 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -16.591 10.588 -2.066 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 9.213 15.855 1.395 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 8.763 16.345 2.095 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 10.053 15.615 1.785 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 3.518 -2.380 -15.731 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 4.238 -1.750 -15.691 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 2.928 -2.040 -16.401 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -3.131 5.506 15.989 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -3.591 6.336 16.159 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.011 5.486 15.039 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 -3.450 -18.557 -7.115 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 -2.930 -18.477 -6.315 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 -4.090 -19.237 -6.925 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 19.561 4.492 -5.428 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 20.251 5.152 -5.328 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 18.751 5.002 -5.528 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 -19.462 -18.250 2.955 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 -19.282 -18.180 3.895 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 -20.082 -17.540 2.775 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 -25.127 -17.833 5.429 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 -25.187 -18.463 6.139 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 -24.417 -17.243 5.679 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 16.721 15.724 17.012 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 16.881 15.524 16.092 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 16.001 16.364 17.002 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 19.335 -3.580 -3.756 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 19.875 -4.120 -3.166 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 19.945 -2.950 -4.126 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 -4.810 -11.238 2.814 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 -3.940 -10.928 2.564 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 -4.910 -10.978 3.724 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 3.033 -23.437 14.268 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 2.403 -23.557 13.558 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 3.883 -23.647 13.868 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 3.753 -11.773 -11.622 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 4.273 -12.563 -11.782 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 3.733 -11.323 -12.472 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -15.161 5.759 -24.466 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -14.481 6.419 -24.616 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -15.981 6.249 -24.466 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 -14.780 -16.218 18.799 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 -14.450 -16.928 19.359 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 -15.670 -16.048 19.119 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 0.685 5.705 22.345 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 -0.035 6.305 22.555 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 0.265 4.845 22.295 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 5.169 21.139 -11.861 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 4.929 20.229 -12.051 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 4.549 21.409 -11.181 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 -12.338 -9.358 -15.976 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 -12.659 -8.598 -15.496 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 -12.539 -9.168 -16.896 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 13.691 24.992 -10.588 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 14.521 25.392 -10.348 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 13.891 24.072 -10.738 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 17.485 0.083 3.130 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 18.205 0.243 3.740 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 17.885 -0.427 2.430 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 13.993 -7.160 7.539 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 14.043 -6.370 8.079 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 13.083 -7.450 7.609 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -20.936 14.617 24.686 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -21.246 13.947 24.076 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -21.446 14.487 25.476 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 -19.457 -18.028 -7.364 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 -19.987 -18.598 -6.804 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 -18.587 -18.438 -7.354 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 0.829 -21.658 7.425 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 0.089 -21.448 7.975 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 0.899 -20.918 6.815 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 -22.635 -22.970 -23.947 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 -23.325 -22.630 -23.377 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 -22.815 -23.900 -24.017 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 18.224 -17.153 3.436 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 18.514 -17.073 2.526 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 17.284 -17.303 3.366 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 1.724 7.795 -2.275 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 2.044 6.895 -2.265 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 0.994 7.785 -1.655 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 1.775 12.988 -0.305 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 2.445 13.668 -0.325 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 1.185 13.248 0.395 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 -14.413 -2.890 4.497 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 -13.653 -2.870 3.907 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 -15.103 -3.310 3.997 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 -19.167 -7.006 17.045 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 -19.477 -6.456 16.325 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 -19.687 -6.726 17.795 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 20.563 -2.122 22.271 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 19.783 -2.672 22.281 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 20.253 -1.262 22.571 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 2.833 -23.162 -7.338 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 3.563 -22.882 -6.798 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 3.053 -22.852 -8.218 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 18.529 11.151 -23.900 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 19.059 11.841 -23.510 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 18.669 10.391 -23.340 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 13.958 -13.894 -14.161 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 13.888 -14.654 -13.591 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 14.178 -14.264 -15.021 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 3.565 22.344 16.061 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 3.055 23.024 15.601 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 3.055 22.164 16.841 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 10.760 24.683 -22.500 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 10.140 24.223 -23.080 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 11.010 25.463 -22.990 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 22.170 -23.991 -24.178 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 22.770 -24.571 -24.658 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 22.080 -24.391 -23.318 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 6.609 10.002 -19.482 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 7.159 10.732 -19.742 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 6.319 10.222 -18.602 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 12.715 21.649 2.883 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 11.935 22.179 2.763 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 12.765 21.109 2.093 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 -7.592 9.535 8.331 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 -8.472 9.655 8.691 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 -7.692 8.865 7.661 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 17.777 -9.950 10.510 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 17.197 -10.590 10.100 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 18.427 -9.760 9.830 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -15.883 17.031 -17.255 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.053 16.371 -17.925 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -15.583 16.531 -16.495 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -24.031 -1.400 14.203 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -24.151 -1.510 13.263 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -23.201 -1.840 14.393 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 -18.032 -3.561 -19.399 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 -17.762 -3.861 -18.529 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 -18.712 -4.171 -19.659 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 3.668 15.040 22.285 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 2.918 14.670 21.815 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 4.358 14.390 22.175 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 19.525 -19.450 -13.593 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 19.785 -19.720 -14.473 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 20.335 -19.120 -13.203 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 -14.675 -7.201 9.914 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 -14.275 -7.151 10.784 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 -14.975 -8.111 9.834 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 5.744 10.164 -0.935 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 5.604 10.294 -0.005 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 6.694 10.194 -1.045 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 15.330 -18.821 22.939 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 14.510 -19.291 22.819 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 15.640 -18.621 22.059 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 7.160 16.229 15.059 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 6.400 15.659 14.939 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 6.820 17.119 14.919 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.309 11.263 17.037 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 10.729 10.983 17.747 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 12.189 11.243 17.417 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 21.633 -20.461 5.345 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 22.113 -21.211 5.705 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 22.193 -19.701 5.555 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 17.759 2.071 -20.213 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 17.409 1.481 -20.883 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 18.279 2.711 -20.703 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 -21.736 8.041 -6.343 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 -22.176 8.751 -6.813 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 -20.846 8.031 -6.703 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 8.080 12.594 3.230 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 7.970 13.354 3.800 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 7.280 12.084 3.350 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 14.857 -2.515 4.886 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 13.937 -2.615 4.616 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 14.807 -2.315 5.816 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 12.235 18.306 2.801 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 12.535 18.666 3.641 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 12.025 17.396 2.991 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 1.546 17.395 16.485 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 0.636 17.225 16.265 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 2.036 16.965 15.785 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 11.336 7.407 -11.928 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 12.206 7.617 -12.258 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 11.286 6.447 -11.968 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -6.474 5.984 15.901 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -7.424 5.854 15.901 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -6.314 6.674 15.261 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 12.290 19.910 19.336 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 11.710 20.260 20.016 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 12.990 19.480 19.826 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 -21.387 -19.609 -24.338 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 -21.587 -18.969 -25.018 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 -21.947 -19.369 -23.598 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 19.784 -23.231 10.729 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 19.544 -22.401 10.339 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 20.644 -23.071 11.129 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 9.250 -6.994 -7.119 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 9.370 -6.834 -6.179 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 8.790 -7.834 -7.149 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -19.499 -7.117 -6.091 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -19.319 -7.147 -5.151 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -20.449 -7.077 -6.151 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 13.205 -5.259 19.671 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 13.625 -5.349 18.811 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 12.395 -4.769 19.501 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 0.667 -12.845 3.929 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -0.153 -12.855 3.449 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 0.597 -12.105 4.529 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 23.241 23.303 -23.594 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 22.561 23.913 -23.904 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 22.791 22.753 -22.954 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 23.664 22.542 -8.889 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 23.514 23.382 -9.319 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 23.074 21.932 -9.339 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 -4.353 0.811 -2.668 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 -3.893 0.841 -1.828 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 -3.913 1.471 -3.208 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 -15.350 14.242 17.439 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 -14.560 14.022 16.939 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 -16.030 13.692 17.059 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 8.680 5.086 -24.351 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 9.120 4.246 -24.231 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 9.230 5.556 -24.981 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 16.969 -13.551 24.262 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 17.159 -12.841 24.872 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 16.899 -14.321 24.812 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 7.373 -21.682 -16.381 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 6.983 -20.862 -16.681 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 6.653 -22.312 -16.441 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 21.649 11.705 5.110 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 20.819 11.295 5.340 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 22.089 11.855 5.950 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 23.868 13.091 20.259 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 23.608 12.251 20.619 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 23.238 13.721 20.619 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 -2.211 2.710 12.735 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 -2.871 2.070 12.475 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 -2.351 2.830 13.675 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 0.860 -0.445 -15.285 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 1.510 0.255 -15.365 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 0.790 -0.815 -16.175 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 21.533 14.397 20.745 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 20.933 14.347 19.995 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 21.433 13.557 21.185 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 0.540 -3.829 -1.509 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 0.450 -4.759 -1.269 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 -0.240 -3.649 -2.049 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -24.417 3.401 9.183 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -23.977 3.301 8.343 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -24.007 2.751 9.753 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 24.343 7.257 14.396 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 24.063 7.887 15.066 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 25.223 7.547 14.136 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.716 20.379 6.326 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 11.416 19.839 7.056 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.436 19.879 5.946 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.565 18.144 13.488 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.225 17.414 12.968 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.805 18.804 12.838 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.799 1.913 -15.028 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -18.909 1.933 -15.978 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.459 2.523 -14.688 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -5.756 1.291 -23.525 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -6.566 0.951 -23.895 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -5.836 2.241 -23.615 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -6.402 20.056 15.986 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -7.112 20.566 16.376 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -6.222 19.366 16.626 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -19.140 21.730 13.641 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -19.580 22.550 13.871 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -19.700 21.050 14.011 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 1.374 0.301 22.072 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 1.644 1.191 22.312 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 1.124 0.371 21.152 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -6.115 -13.430 21.276 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -5.265 -13.490 21.706 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -5.995 -12.770 20.586 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 -6.273 -17.208 -13.790 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 -6.913 -17.048 -14.480 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 -6.793 -17.368 -13.010 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 21.805 4.753 9.520 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 21.465 5.273 8.790 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 22.745 4.723 9.370 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 7.447 3.534 -2.603 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 7.087 3.554 -3.483 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 7.987 2.744 -2.583 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 9.094 14.203 -23.914 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 9.924 14.223 -23.434 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 8.874 15.123 -24.054 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 9.643 -14.983 -18.508 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 10.153 -14.473 -17.878 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 9.113 -15.563 -17.968 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 21.335 21.489 4.117 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 20.745 22.069 3.627 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 22.205 21.729 3.797 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -0.093 15.262 23.084 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -0.213 15.722 22.254 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 0.767 14.852 23.014 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 22.148 -9.013 13.979 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 22.488 -9.893 14.149 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 22.928 -8.473 13.849 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 -12.313 21.000 -6.818 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 -12.053 20.910 -7.738 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 -12.783 20.190 -6.618 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 2.391 -17.183 4.962 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 1.751 -17.763 4.552 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 3.221 -17.423 4.562 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -21.531 9.831 -8.654 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -21.971 10.681 -8.714 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -21.401 9.561 -9.554 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 -19.501 12.817 16.332 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 -19.261 13.687 16.022 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 -20.441 12.747 16.132 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 -9.232 -2.782 -4.055 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 -8.352 -3.112 -3.875 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 -9.812 -3.372 -3.575 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -24.885 4.787 20.997 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -25.125 5.687 21.197 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -24.185 4.867 20.357 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 -16.321 -13.446 -17.780 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 -15.711 -13.816 -17.150 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 -17.001 -13.036 -17.250 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 -12.715 7.139 -25.076 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 -11.775 7.159 -25.256 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 -12.795 7.429 -24.166 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 -20.535 12.573 -22.811 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 -20.395 13.043 -23.641 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 -19.955 12.993 -22.191 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 11.994 15.298 -19.274 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 12.614 15.958 -18.974 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 11.344 15.238 -18.564 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 20.964 23.663 2.542 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 21.654 23.743 3.192 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 20.564 24.533 2.522 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 -5.791 15.444 15.650 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 -5.821 15.014 16.500 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 -6.291 16.254 15.770 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -0.907 18.864 -10.493 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -0.667 18.104 -9.963 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -1.787 18.664 -10.813 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -2.343 1.188 8.005 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -3.233 0.848 8.145 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -2.303 1.358 7.065 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 4.820 14.038 1.635 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 5.270 14.528 2.325 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 4.830 14.628 0.885 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -0.571 -2.040 4.660 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -0.431 -1.150 5.010 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 0.159 -2.180 4.060 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -2.563 1.532 -13.120 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -3.403 1.342 -13.530 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -2.033 0.762 -13.300 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 1.945 -11.428 -21.151 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 1.885 -12.048 -21.871 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 1.175 -11.608 -20.611 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 -9.849 10.375 -2.315 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 -10.399 11.145 -2.475 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 -9.879 9.885 -3.145 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -7.055 18.228 -22.887 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -7.665 18.028 -23.587 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -6.905 19.168 -22.957 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -21.292 -9.435 7.192 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -21.952 -8.805 6.902 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -20.562 -9.305 6.582 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 -5.840 9.839 -16.300 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 -5.950 9.749 -15.360 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 -6.650 9.499 -16.670 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 -3.954 14.820 9.812 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 -4.174 15.110 8.932 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 -3.084 14.430 9.722 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.094 17.409 19.078 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -10.474 16.949 18.518 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.954 17.219 18.688 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -6.202 19.723 13.023 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -6.402 19.793 13.953 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -7.042 19.863 12.583 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 -13.467 -20.536 -4.358 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 -12.717 -20.696 -3.778 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 -13.427 -21.236 -4.998 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -17.560 -24.504 5.753 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -18.210 -24.474 5.053 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -16.810 -24.004 5.403 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 24.533 8.882 16.681 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 25.343 8.672 17.131 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 24.033 9.402 17.311 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 17.484 18.389 24.606 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 17.304 17.479 24.876 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 16.744 18.889 24.956 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 -8.559 0.171 -3.341 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 -7.669 -0.139 -3.181 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 -9.069 -0.629 -3.471 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 -13.535 -14.978 3.433 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 -12.905 -15.508 2.933 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 -13.595 -15.418 4.273 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 16.190 -0.805 -13.375 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 15.740 -0.895 -12.535 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 15.510 -0.545 -13.995 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 -2.839 20.503 -8.762 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 -2.229 19.803 -9.012 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 -2.999 20.363 -7.832 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 21.611 9.299 -20.488 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 22.311 9.599 -19.898 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 22.071 8.829 -21.178 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 11.751 -14.427 0.150 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 11.271 -14.007 -0.570 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 12.111 -13.707 0.660 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -10.806 1.519 -24.574 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -11.586 1.139 -24.984 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -10.746 1.089 -23.724 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 -23.066 21.854 -21.705 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 -22.226 21.944 -22.155 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 -22.866 22.024 -20.785 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 17.948 -16.994 14.972 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 17.608 -17.814 15.312 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 18.538 -16.684 15.652 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 -13.371 -16.961 0.939 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 -12.621 -17.001 0.349 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 -14.071 -17.421 0.469 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 -16.295 -9.597 11.071 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 -16.925 -10.227 11.421 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 -16.835 -8.867 10.761 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 19.486 -14.578 -7.601 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 19.656 -13.698 -7.271 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 19.036 -14.448 -8.431 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 13.276 -15.428 6.121 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 13.566 -14.518 6.061 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 13.476 -15.808 5.271 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 3.566 5.646 12.015 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 2.836 6.256 12.115 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 4.036 5.956 11.235 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -19.245 11.268 -5.870 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -20.095 11.628 -5.610 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -19.435 10.748 -6.650 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -18.366 -7.315 -3.293 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -17.956 -8.145 -3.553 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -18.026 -7.145 -2.413 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 -17.005 3.763 22.043 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 -17.245 4.653 21.793 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 -16.735 3.843 22.963 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 12.586 -17.977 -12.541 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 11.896 -17.387 -12.221 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 12.116 -18.657 -13.011 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 12.688 17.930 -19.338 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 12.338 17.820 -20.218 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 13.478 18.470 -19.458 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -23.930 15.178 17.548 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -24.480 15.218 18.328 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -23.090 15.548 17.838 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 4.517 -7.432 -4.611 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 5.087 -7.322 -3.851 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 5.077 -7.842 -5.271 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 14.638 14.043 16.667 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 14.278 13.653 15.867 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 15.478 14.413 16.397 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 16.757 11.009 -1.015 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 17.217 10.349 -1.545 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 17.437 11.639 -0.795 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 18.784 18.217 -21.878 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 19.264 18.697 -22.558 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 19.384 18.197 -21.128 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 2.077 -19.022 -11.317 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 1.497 -18.362 -11.707 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 2.907 -18.562 -11.187 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 11.467 -11.784 10.581 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 12.217 -11.344 10.981 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 11.607 -12.714 10.771 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 0.478 -4.325 15.902 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 0.348 -4.975 16.592 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 0.148 -3.515 16.272 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 6.332 20.492 -22.413 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 6.023 19.592 -22.363 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 6.873 20.522 -23.193 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 3.378 18.407 22.669 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 2.428 18.317 22.699 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 3.698 17.587 22.299 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 1.451 -23.125 24.681 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 1.091 -22.585 25.381 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 1.091 -23.995 24.831 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 -12.655 22.265 4.100 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 -12.385 23.045 3.620 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 -13.535 22.075 3.790 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.386 -12.266 11.356 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -21.556 -13.166 11.066 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -20.476 -12.266 11.636 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.460 23.202 -18.045 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -7.540 22.982 -17.855 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.420 24.062 -18.455 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 4.684 -14.107 -22.698 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 4.894 -13.757 -23.558 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 4.624 -15.047 -22.828 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 24.427 7.099 5.536 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 23.767 7.179 4.846 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 24.837 6.249 5.386 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -2.604 -22.627 -24.404 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -2.834 -21.697 -24.334 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -2.814 -22.857 -25.314 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -5.645 -22.507 -8.333 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -5.045 -22.197 -7.653 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -5.455 -21.957 -9.093 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 -22.320 10.996 17.975 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 -22.890 10.346 18.375 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 -22.810 11.816 18.025 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -10.799 9.570 19.242 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -9.979 9.570 18.762 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -10.879 10.460 19.572 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 21.867 -2.487 9.808 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 22.207 -3.157 9.208 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 22.167 -2.757 10.678 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -14.153 -9.665 -23.558 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -13.593 -10.015 -22.858 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -13.733 -9.955 -24.368 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -21.426 -7.598 0.770 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -21.476 -8.518 1.030 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -21.136 -7.618 -0.140 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 4.540 18.615 -4.213 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 4.060 19.305 -4.673 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 5.080 18.205 -4.893 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 13.035 24.394 -6.085 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 13.645 24.064 -5.425 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 13.195 25.334 -6.105 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -20.647 -16.312 -1.884 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -20.057 -16.372 -2.644 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -20.847 -15.382 -1.804 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 -13.547 16.059 16.516 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 -14.207 15.849 17.176 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 -12.877 15.379 16.616 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 -4.705 19.985 -18.048 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 -4.025 19.695 -18.668 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 -4.945 19.185 -17.578 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 8.524 9.081 5.839 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 8.104 8.241 6.039 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 9.284 8.851 5.299 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 16.179 15.964 -6.370 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 17.119 16.114 -6.280 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 16.069 15.644 -7.270 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 -14.716 20.986 13.514 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 -14.866 21.896 13.764 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 -14.486 21.026 12.584 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 6.173 17.021 -6.303 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 6.733 17.081 -5.533 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 6.593 17.571 -6.953 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 -14.560 0.531 2.721 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 -14.280 1.061 1.981 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 -13.810 -0.049 2.901 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 -2.634 -20.645 14.326 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 -2.444 -21.525 14.646 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 -3.564 -20.515 14.526 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 -17.275 4.230 -20.994 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 -16.485 4.020 -21.494 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 -16.945 4.680 -20.214 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 -22.165 16.677 7.502 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 -22.625 16.617 8.332 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 -21.735 15.827 7.402 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 -23.220 17.920 -20.395 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 -23.090 17.080 -19.955 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 -22.780 17.810 -21.235 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 -11.435 -22.349 -2.866 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 -10.845 -22.369 -2.116 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 -10.935 -22.729 -3.586 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 17.481 -15.026 -13.508 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 17.111 -14.146 -13.408 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 18.031 -15.146 -12.728 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -18.249 20.633 6.189 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -18.509 21.183 5.449 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -17.369 20.333 5.959 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 4.344 22.489 2.961 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 5.014 23.109 3.241 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 4.534 21.679 3.441 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 -15.729 -2.455 22.827 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 -15.019 -2.565 22.197 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 -16.499 -2.285 22.287 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 13.503 -23.249 -5.824 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 13.953 -22.499 -6.224 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 14.123 -23.579 -5.184 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 -22.540 -22.899 -15.007 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 -22.870 -23.409 -14.267 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 -23.080 -23.179 -15.747 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 13.412 1.200 0.301 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 13.132 0.400 -0.149 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 13.791 1.740 -0.379 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -3.445 11.220 -2.734 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -2.485 11.250 -2.674 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -3.675 12.040 -3.174 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 11.913 -21.371 11.519 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 12.223 -21.571 12.399 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 11.663 -22.221 11.159 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 18.218 8.984 -2.118 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 19.128 9.014 -2.408 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 17.808 8.334 -2.688 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 9.810 -18.536 -12.055 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 9.780 -19.466 -11.815 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 9.200 -18.116 -11.445 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -14.087 13.843 21.940 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -14.147 14.483 21.240 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -14.697 14.163 22.610 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 19.769 -1.455 17.599 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 20.179 -2.275 17.879 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 20.459 -0.805 17.669 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -23.510 12.122 -9.024 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -23.910 12.992 -8.944 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -24.260 11.532 -9.134 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.787 -19.994 -16.968 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.947 -20.774 -16.428 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.397 -19.364 -16.358 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -16.325 -11.561 14.435 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -17.075 -11.621 13.855 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -15.565 -11.691 13.875 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -2.882 -1.615 22.048 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -2.342 -1.225 21.358 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -2.802 -1.015 22.788 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 7.524 -4.820 23.590 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 6.904 -4.430 24.210 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 8.374 -4.780 24.040 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 -5.509 15.179 20.519 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 -5.589 15.569 19.649 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 -5.179 15.889 21.069 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 3.105 -12.139 20.584 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 3.675 -11.769 19.914 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 3.315 -11.649 21.384 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 -10.640 -18.314 19.045 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 -11.060 -18.614 18.245 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 -10.700 -19.054 19.645 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 15.680 -16.032 -10.818 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 16.500 -16.172 -11.278 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 15.710 -15.112 -10.528 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 -2.157 18.359 5.324 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 -1.297 18.179 4.934 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 -2.407 17.539 5.754 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -11.524 -13.705 -24.064 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -11.234 -13.465 -23.184 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -12.294 -14.255 -23.914 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 -8.912 19.553 -17.244 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 -8.672 20.473 -17.344 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 -8.092 19.113 -17.034 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.084 -24.908 -19.652 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -0.914 -24.898 -18.712 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -2.034 -24.898 -19.722 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 -15.983 -7.773 15.912 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 -16.143 -6.983 16.442 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 -15.673 -7.433 15.072 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -18.177 7.812 18.798 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -17.287 8.092 19.008 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -18.097 6.882 18.598 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 -5.152 -17.954 10.281 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 -4.832 -17.154 10.711 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 -4.362 -18.464 10.121 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 -11.435 -24.332 -8.991 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 -11.005 -23.482 -9.041 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 -10.805 -24.952 -9.351 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 19.625 18.889 3.645 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 19.325 19.759 3.905 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 19.705 18.939 2.685 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -0.433 16.285 -22.263 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -0.923 16.045 -21.483 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -0.133 15.455 -22.633 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 -2.591 6.668 -0.134 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 -2.821 5.748 -0.244 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 -3.091 7.128 -0.804 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -1.147 -7.917 16.676 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -1.117 -8.757 16.226 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -1.437 -7.287 16.016 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 5.911 10.704 -24.519 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 5.441 10.144 -23.899 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 5.281 10.864 -25.219 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 -5.420 3.807 -24.367 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 -4.730 4.457 -24.237 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 -6.110 4.277 -24.847 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 24.978 -21.693 16.359 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 25.618 -21.063 16.699 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 24.678 -21.313 15.529 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 16.560 -7.159 0.669 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 16.170 -6.629 1.379 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 16.100 -6.869 -0.121 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 -4.209 23.237 -0.585 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 -5.129 23.307 -0.325 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 -4.179 23.627 -1.455 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 -9.727 -15.998 2.997 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 -10.477 -16.588 3.077 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 -9.547 -15.958 2.057 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 4.525 3.702 -3.883 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 4.235 2.802 -4.063 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 4.085 3.932 -3.073 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 14.673 -14.011 -19.024 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 15.023 -14.201 -18.154 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 14.773 -13.071 -19.124 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 19.139 -3.809 0.439 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 19.119 -4.249 1.289 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 18.849 -4.469 -0.181 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 5.836 -25.324 -18.761 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 5.586 -24.424 -18.521 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 5.126 -25.634 -19.321 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 6.937 16.334 6.851 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 6.147 16.754 6.521 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 7.307 16.964 7.461 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 23.043 -18.571 12.763 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 23.113 -19.431 13.173 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 22.863 -18.761 11.843 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 0.113 -23.908 -0.567 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 0.403 -23.668 0.313 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -0.817 -23.698 -0.577 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 -16.447 -21.836 -1.889 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 -17.227 -22.376 -2.029 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 -16.477 -21.186 -2.589 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 3.334 1.051 -15.855 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 4.234 0.881 -16.125 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 2.824 0.981 -16.655 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 7.331 -8.736 -3.932 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 7.911 -8.316 -3.292 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 6.551 -8.976 -3.422 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 12.857 -15.214 16.085 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 13.567 -14.694 16.465 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 12.837 -14.964 15.165 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 7.416 11.467 -13.184 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 7.526 11.027 -14.024 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 8.306 11.597 -12.864 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 -8.507 -11.934 17.969 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 -8.527 -11.014 17.699 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 -7.577 -12.164 17.979 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -0.643 -25.221 -3.378 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -0.753 -24.291 -3.548 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 0.107 -25.481 -3.908 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 13.527 -15.189 -1.848 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 12.977 -14.739 -1.198 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 13.207 -14.879 -2.688 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -17.465 -21.965 -25.151 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -17.545 -22.895 -25.391 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -17.765 -21.935 -24.241 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 -10.482 6.830 -6.069 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 -10.352 7.120 -6.969 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 -10.212 5.910 -6.069 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 -13.534 -15.196 13.474 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 -13.794 -15.446 12.594 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 -13.464 -16.026 13.954 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 -17.910 4.655 -16.270 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 -18.440 4.985 -17.000 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 -17.980 3.705 -16.340 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 -10.676 13.599 16.364 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 -10.246 12.849 16.774 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 -10.176 14.349 16.674 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -17.315 -0.302 20.523 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -16.685 0.188 21.053 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -17.525 0.278 19.803 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -3.430 -21.924 -6.499 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -2.890 -22.084 -7.269 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -2.920 -22.284 -5.769 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 -19.922 -16.543 -9.413 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 -20.612 -17.183 -9.623 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 -19.612 -16.793 -8.543 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 23.214 20.249 -0.269 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 23.004 20.429 -1.189 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 22.804 20.969 0.211 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 -14.480 23.626 -7.628 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 -13.560 23.836 -7.778 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -14.900 24.466 -7.458 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 8.980 17.175 -15.124 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 9.410 17.455 -15.934 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 9.200 17.855 -14.484 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 15.430 -21.795 -1.640 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 15.420 -22.525 -1.020 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 14.950 -21.095 -1.200 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 21.959 -7.126 9.647 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 22.619 -7.686 9.247 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 21.119 -7.506 9.387 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 -12.681 7.957 -13.991 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 -12.821 7.507 -13.161 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 -13.531 7.917 -14.431 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 -20.582 1.114 3.191 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 -21.042 0.664 2.471 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 -20.112 1.834 2.761 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 21.925 20.134 -9.974 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 21.335 19.774 -10.644 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 21.745 19.604 -9.194 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 -8.512 -10.956 20.554 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 -8.932 -11.326 21.324 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 -8.772 -11.536 19.834 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 -16.605 21.941 -22.344 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 -17.155 21.751 -21.584 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 -17.145 21.701 -23.094 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -8.791 -2.446 -24.641 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -8.251 -3.116 -25.061 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -9.171 -1.966 -25.371 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -15.435 -14.808 -20.445 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -15.115 -14.548 -19.575 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -16.265 -15.238 -20.265 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 5.412 -8.499 -21.544 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 6.351 -8.639 -21.394 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 5.051 -8.369 -20.664 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -18.999 -13.262 6.046 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -18.349 -12.732 6.496 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -19.839 -12.862 6.276 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 21.963 13.601 -4.141 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 22.493 12.911 -3.741 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 21.263 13.761 -3.521 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -4.032 -11.183 -15.098 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -3.972 -12.113 -14.898 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -4.342 -10.783 -14.288 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -9.425 20.367 -5.568 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -10.125 20.947 -5.258 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -9.875 19.547 -5.788 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 0.701 -10.305 19.361 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 1.201 -10.955 19.861 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 0.741 -10.615 18.461 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 16.029 -0.866 -5.383 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 15.369 -1.236 -5.963 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 15.909 -1.336 -4.553 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 9.453 19.487 -13.924 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 9.183 20.257 -13.434 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 9.963 19.837 -14.664 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 -21.712 22.121 15.327 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 -21.552 22.941 14.847 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 -22.652 21.971 15.237 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 -13.957 -9.641 12.607 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 -13.757 -10.221 13.337 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 -14.907 -9.541 12.637 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 13.725 -17.900 -9.713 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 13.495 -18.390 -10.503 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 14.495 -17.390 -9.953 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 -22.096 2.798 -14.497 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 -22.546 3.628 -14.327 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 -22.766 2.128 -14.407 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 11.255 18.270 -0.691 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 10.805 18.980 -0.231 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 11.215 17.530 -0.091 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 15.368 -22.302 3.095 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 14.568 -22.612 3.525 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 15.908 -23.092 3.005 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 24.504 20.653 8.985 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 25.374 20.373 8.715 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 24.654 21.253 9.705 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 -6.475 4.195 -0.181 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 -6.475 3.995 0.749 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 -6.595 5.135 -0.231 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 -0.425 -14.561 8.657 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 -0.255 -14.741 7.727 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 -0.855 -13.711 8.657 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -23.985 7.959 -23.731 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -23.185 7.539 -23.441 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -24.205 8.579 -23.031 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 8.491 1.160 -1.148 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 8.791 1.610 -0.358 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 9.291 0.840 -1.568 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 17.056 -2.257 19.159 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 17.766 -2.107 18.539 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 16.256 -2.077 18.659 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -4.451 6.481 -15.914 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -4.591 5.721 -16.484 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -5.251 6.991 -16.004 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 5.856 3.088 6.220 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 5.096 3.478 5.790 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 5.696 2.148 6.190 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -16.196 -15.870 9.725 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -16.606 -15.460 10.485 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -16.446 -16.790 9.785 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -20.169 1.207 21.423 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -19.439 0.867 21.943 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -19.759 1.817 20.813 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 -14.826 2.672 7.131 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 -14.256 3.182 6.551 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 -14.286 1.932 7.401 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 12.781 4.797 -20.748 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.931 4.767 -21.178 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 13.261 5.477 -21.218 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 18.940 7.084 19.015 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 18.440 6.874 19.805 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 19.380 7.914 19.215 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 -14.606 -10.035 16.476 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 -15.056 -9.215 16.246 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 -14.916 -10.665 15.826 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -11.701 -7.613 -11.268 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -11.831 -8.423 -11.768 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -11.821 -7.883 -10.348 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 7.488 -18.663 7.632 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 8.108 -18.943 8.302 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 7.038 -17.913 8.032 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -5.742 -10.271 -5.188 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -4.912 -10.351 -5.648 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -5.632 -10.801 -4.398 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 16.265 -10.190 20.426 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 15.535 -9.580 20.506 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 16.135 -10.610 19.576 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 21.654 -9.747 -7.641 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 21.114 -9.057 -8.021 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 21.034 -10.457 -7.451 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 -18.446 -2.758 7.392 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 -19.016 -2.248 7.972 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 -18.026 -3.388 7.972 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -13.840 19.671 2.076 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -13.810 20.221 1.296 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.440 18.961 1.836 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 14.241 13.917 19.431 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 14.191 14.207 18.511 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 14.861 13.187 19.411 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 17.586 -2.131 -1.226 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 18.126 -2.721 -0.696 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 17.106 -2.711 -1.816 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 20.793 6.015 -15.154 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 20.183 6.755 -15.124 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 20.283 5.295 -15.534 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 -10.245 21.730 12.435 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 -10.905 21.290 12.965 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 -10.755 22.250 11.805 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 16.828 -13.268 5.257 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 16.688 -13.988 5.857 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 17.308 -13.648 4.527 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -4.564 5.122 -19.930 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -3.814 5.592 -20.280 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -4.444 4.212 -20.220 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -22.423 12.885 15.736 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -22.963 12.335 15.166 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -22.983 13.635 15.946 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -9.032 -19.992 11.033 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -8.482 -20.742 11.213 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -8.912 -19.412 11.783 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 -16.252 -20.378 -21.618 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 -16.772 -21.108 -21.938 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 -16.892 -19.718 -21.368 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 -4.194 23.464 -19.804 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 -3.314 23.264 -19.494 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 -4.124 23.444 -20.754 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 13.069 -19.689 -6.928 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 13.849 -20.059 -7.338 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 13.099 -18.759 -7.128 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 19.536 -21.137 -3.970 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 18.736 -20.607 -4.000 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 19.556 -21.477 -3.070 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 -8.209 5.633 -17.173 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 -8.469 5.743 -16.253 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 -7.259 5.713 -17.163 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 24.708 18.191 12.419 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 23.848 18.531 12.649 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 24.618 17.901 11.519 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -25.100 14.751 -4.732 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -24.900 14.831 -3.802 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -24.260 14.881 -5.172 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 -20.512 4.065 14.892 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 -21.232 3.685 15.382 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 -20.222 3.355 14.302 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -14.645 -15.791 22.662 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -14.015 -16.501 22.752 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -14.115 -15.001 22.542 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -17.597 -16.200 -19.236 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -17.277 -16.830 -18.586 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -18.277 -16.670 -19.706 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 3.464 -6.378 11.493 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 3.014 -7.208 11.663 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 2.844 -5.858 10.983 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 -3.803 -25.055 -3.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 -4.083 -24.135 -3.163 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 -2.903 -25.065 -3.413 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 -21.714 -14.753 6.137 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 -20.994 -15.183 6.617 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 -21.744 -13.873 6.507 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 13.768 -17.205 -18.897 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 14.478 -16.575 -19.057 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 13.148 -16.735 -18.337 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 11.825 22.335 -24.261 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 12.535 22.445 -24.901 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 11.955 23.055 -23.641 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 9.655 -12.296 8.091 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 10.035 -11.926 8.891 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 10.235 -13.016 7.861 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 -24.725 -8.508 2.969 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 -23.925 -8.188 2.559 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 -24.665 -9.458 2.909 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 16.804 2.364 7.602 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 17.714 2.564 7.802 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 16.574 1.654 8.212 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 5.883 -15.513 18.875 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 6.293 -15.993 18.155 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 5.483 -14.753 18.455 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -9.734 -4.871 -0.845 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -9.654 -5.641 -0.285 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -10.064 -4.181 -0.265 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 -11.469 22.964 9.639 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 -11.489 23.914 9.799 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 -10.549 22.774 9.449 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 7.346 -14.576 -21.139 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 6.926 -14.106 -21.869 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 7.046 -14.106 -20.359 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -16.262 6.192 -13.638 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -16.272 7.072 -13.258 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -16.902 6.242 -14.348 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 -0.954 -0.389 -22.297 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 -0.104 -0.019 -22.547 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 -1.384 -0.579 -23.137 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 24.448 -3.617 24.849 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 25.018 -2.897 24.549 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 24.338 -3.447 25.789 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.069 -13.686 -24.521 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -20.229 -13.366 -24.841 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -21.689 -12.986 -24.731 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 -0.127 -3.253 19.552 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 -0.267 -3.903 20.242 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 0.283 -3.733 18.842 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -2.994 19.380 -15.920 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -3.834 19.470 -15.470 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -3.134 19.810 -16.760 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -4.452 9.005 -8.837 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -5.162 8.385 -8.657 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -3.982 8.605 -9.577 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 -22.029 3.192 -7.721 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 -21.929 3.622 -6.871 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 -22.339 2.312 -7.521 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 15.388 20.645 11.647 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 15.498 21.595 11.587 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 15.228 20.365 10.747 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 3.299 21.932 -17.878 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 2.719 21.222 -18.168 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 3.069 22.672 -18.438 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.140 -20.318 20.269 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -3.180 -21.258 20.449 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.860 -20.158 19.649 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 12.124 15.739 18.248 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 12.994 15.849 18.648 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 12.254 16.019 17.338 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -4.209 8.296 4.215 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -4.759 7.866 3.565 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -3.419 7.746 4.255 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 -1.327 -11.223 -13.205 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 -1.307 -11.033 -14.145 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 -0.407 -11.243 -12.945 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 3.925 -13.705 15.171 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 3.595 -13.035 14.571 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 3.665 -14.535 14.771 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 -17.735 -3.132 -3.647 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 -17.125 -3.082 -2.907 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 -18.145 -3.992 -3.567 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -10.363 -5.447 -24.155 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -11.133 -5.777 -23.685 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -9.753 -5.177 -23.465 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 23.255 -16.857 9.109 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 23.725 -16.707 9.919 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 22.865 -16.017 8.889 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 1.334 4.603 -11.569 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 0.534 4.903 -11.999 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 1.484 3.733 -11.929 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 -23.067 7.315 8.449 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 -23.977 7.445 8.209 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 -22.607 8.085 8.089 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 25.072 15.868 -15.451 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 24.831 15.988 -16.361 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 25.751 16.518 -15.291 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -7.937 18.188 1.606 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -8.217 18.848 0.966 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -7.047 18.448 1.846 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 20.224 -21.851 -1.424 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 20.944 -22.421 -1.694 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 20.524 -21.451 -0.614 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 4.313 17.998 15.505 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 3.383 18.188 15.615 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 4.753 18.838 15.635 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 -9.406 12.268 -5.521 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 -10.106 12.798 -5.151 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 -8.636 12.508 -5.011 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 -20.303 -8.659 -13.311 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 -20.723 -9.199 -12.651 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 -19.613 -8.189 -12.831 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 1.144 -3.019 -24.389 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 1.684 -2.419 -24.899 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 1.484 -3.889 -24.599 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -10.910 -10.127 2.544 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -11.030 -10.317 1.614 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -11.390 -10.827 2.994 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 2.626 6.325 5.367 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 2.196 5.565 5.747 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 2.976 6.805 6.117 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -8.803 -8.149 -6.571 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -8.483 -8.289 -5.681 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -9.513 -8.779 -6.671 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -14.746 -1.406 -19.488 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -15.676 -1.236 -19.348 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -14.656 -2.346 -19.338 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 15.353 22.920 -20.899 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 15.983 23.630 -20.989 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 14.643 23.150 -21.499 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -4.671 2.890 -5.240 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -4.311 2.770 -6.120 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -4.181 3.620 -4.870 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 5.593 1.833 0.687 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 5.533 2.793 0.627 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 5.583 1.533 -0.223 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 -9.550 18.773 5.009 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 -8.960 18.413 4.359 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 -9.680 18.063 5.639 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 -8.565 -18.457 -15.151 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 -8.305 -19.377 -15.211 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 -9.315 -18.457 -14.551 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -3.647 19.751 10.132 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -3.437 20.431 10.772 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -3.357 20.111 9.302 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 13.599 0.209 -13.008 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 13.349 0.799 -13.718 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 13.409 0.699 -12.208 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 14.141 10.836 -19.432 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 14.441 11.636 -19.852 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 14.941 10.436 -19.082 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 16.990 -21.587 19.574 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 16.180 -22.037 19.814 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 17.500 -22.247 19.094 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 18.524 -23.566 2.966 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 17.824 -23.066 2.566 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 19.224 -22.936 3.106 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 -4.126 -22.763 5.041 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 -3.746 -23.613 4.841 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 -4.946 -22.953 5.501 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 17.104 11.505 22.811 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 16.484 11.245 22.131 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 17.864 11.825 22.341 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 14.784 -14.138 9.765 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 13.994 -13.628 9.605 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 15.434 -13.488 10.035 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 0.463 17.782 5.155 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 1.023 17.262 5.745 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 0.853 18.652 5.175 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -2.555 7.348 13.973 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -1.625 7.558 13.973 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -2.985 8.098 13.563 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 15.086 -20.911 5.785 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 15.106 -20.031 5.405 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 14.986 -21.501 5.045 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 -19.724 21.256 17.332 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 -20.194 21.476 16.532 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 -18.834 21.566 17.172 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 -7.921 13.313 22.747 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 -7.791 12.803 23.547 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 -7.041 13.423 22.387 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 -16.104 17.229 -12.092 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 -16.534 18.009 -11.752 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 -16.574 17.039 -12.902 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 20.133 22.409 10.690 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 19.783 23.249 10.990 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 21.083 22.499 10.790 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 -12.436 -12.135 -4.072 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 -13.126 -11.535 -3.812 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 -12.776 -13.005 -3.852 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 13.215 17.173 -22.885 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 13.705 16.353 -22.945 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 12.935 17.353 -23.775 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 14.759 20.487 -3.674 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 14.899 20.547 -2.724 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 15.529 20.017 -3.994 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 -2.177 20.875 4.258 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -2.057 19.955 4.498 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 -3.067 21.085 4.528 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 18.854 -20.660 8.969 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 19.654 -20.280 8.609 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 18.144 -20.270 8.469 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 -9.903 17.525 -24.248 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 -10.663 17.635 -24.818 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 -10.073 18.095 -23.498 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -2.515 2.640 -3.693 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -2.245 3.520 -3.963 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -2.135 2.060 -4.363 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -9.761 -12.788 22.859 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -9.861 -13.528 22.269 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -10.601 -12.328 22.819 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 10.548 -15.612 17.138 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 10.718 -14.692 17.328 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 11.068 -15.792 16.348 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 -10.967 24.661 23.467 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 -11.477 24.381 24.227 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 -11.147 25.601 23.397 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 0.132 21.412 -2.395 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 0.111 22.182 -1.835 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 0.132 21.762 -3.285 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -7.577 14.892 -18.772 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -7.607 13.992 -18.462 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -7.877 14.842 -19.682 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 13.873 15.298 23.119 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 14.303 16.088 23.429 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 14.173 14.608 23.729 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -22.134 -10.472 13.790 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -22.864 -10.122 14.300 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -21.354 -10.262 14.310 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 22.238 -13.812 -8.896 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 21.948 -14.722 -8.876 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 22.438 -13.632 -9.816 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 14.728 5.766 -8.945 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 13.888 6.236 -8.955 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 14.748 5.306 -9.775 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 9.434 -2.192 -21.159 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 9.514 -2.102 -20.209 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 10.184 -2.732 -21.419 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 -13.576 -11.514 -7.500 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 -14.066 -11.284 -8.300 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 -12.866 -12.064 -7.820 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 1.823 15.691 -6.182 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 1.143 15.151 -5.782 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 2.643 15.341 -5.832 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 -10.152 -1.012 23.567 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 -9.332 -0.922 23.077 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 -10.112 -0.322 24.227 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -14.231 -23.547 -22.399 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -14.541 -24.447 -22.549 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -14.411 -23.087 -23.219 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 2.043 1.848 -18.351 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 2.993 1.728 -18.361 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 1.743 1.498 -19.181 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 -11.757 9.561 -0.125 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 -11.217 9.711 -0.905 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 -11.447 10.211 0.515 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 -23.895 -9.223 15.534 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 -24.265 -9.013 16.394 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 -23.935 -8.403 15.044 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 15.223 -17.924 -13.773 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 14.493 -17.494 -13.313 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 15.833 -18.164 -13.073 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 6.817 -13.957 -7.127 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 6.727 -14.307 -8.007 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 7.607 -14.367 -6.787 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 -8.881 -23.147 -2.199 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 -9.491 -23.877 -2.049 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 -8.081 -23.407 -1.749 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -10.773 21.235 25.429 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -11.363 21.885 25.029 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -10.213 20.955 24.709 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 -2.835 -7.561 20.344 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 -3.605 -7.161 20.744 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 -2.095 -7.201 20.824 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 10.980 -18.877 20.732 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 11.840 -18.577 20.462 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 10.400 -18.137 20.532 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -14.770 6.499 16.941 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -15.070 7.389 16.751 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -14.310 6.219 16.151 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 -11.012 24.590 19.467 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 -11.452 24.910 20.257 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 -11.462 23.770 19.267 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 8.386 12.055 -22.407 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 7.676 11.655 -22.917 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 9.046 12.285 -23.057 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 -9.639 -15.775 17.020 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 -10.189 -16.405 16.580 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 -10.239 -15.245 17.560 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 12.158 17.669 23.659 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 12.468 16.809 23.369 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 11.518 17.929 22.999 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -16.256 0.592 -6.798 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -15.336 0.742 -6.998 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -16.256 -0.168 -6.218 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -1.061 16.595 15.729 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -1.691 17.225 16.089 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -1.551 15.785 15.629 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -2.392 -20.744 -8.810 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -2.292 -19.874 -8.410 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -2.772 -20.564 -9.670 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 5.173 -22.453 17.989 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 5.203 -23.363 17.689 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 4.553 -22.453 18.709 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 19.871 24.714 12.212 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 20.741 24.884 11.832 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 19.601 25.554 12.592 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -21.734 14.913 -15.154 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -21.204 15.583 -15.594 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -22.424 14.703 -15.784 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -19.611 -6.915 11.796 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -19.721 -7.795 12.146 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -20.451 -6.485 11.956 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 18.145 -2.891 21.725 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 17.685 -3.091 20.905 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 17.525 -2.351 22.215 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 0.867 -15.187 15.156 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 1.177 -14.327 15.446 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 0.357 -15.517 15.896 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 23.604 21.941 -2.829 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 23.924 22.431 -3.589 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 24.404 21.681 -2.359 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 -3.055 4.537 -7.411 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 -2.125 4.547 -7.641 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 -3.085 4.837 -6.501 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 -10.753 -5.657 18.352 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 -10.023 -5.947 17.812 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 -11.503 -6.157 18.032 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 12.877 -6.897 1.635 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 12.727 -7.837 1.775 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 13.677 -6.707 2.125 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 20.047 -9.143 -14.868 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 20.417 -8.273 -15.028 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 20.257 -9.643 -15.658 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 16.570 16.075 -2.701 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.860 16.045 -3.341 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 16.720 17.005 -2.551 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 -7.140 -22.341 12.042 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 -6.210 -22.571 11.992 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 -7.260 -22.031 12.942 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -19.050 1.472 14.199 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -18.150 1.362 14.489 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -19.460 0.612 14.329 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 17.985 -9.933 1.084 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 17.345 -9.343 0.684 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 18.825 -9.623 0.754 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 8.237 -3.777 -10.429 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 7.967 -2.897 -10.159 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 9.017 -3.957 -9.909 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 7.911 -6.328 13.723 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 7.581 -6.808 14.473 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 8.861 -6.358 13.813 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 -3.491 -9.452 -11.341 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 -2.931 -10.052 -11.821 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 -3.231 -9.562 -10.421 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 -14.442 22.184 -19.138 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 -14.362 21.244 -18.988 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 -15.382 22.334 -19.238 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 13.560 7.005 -0.051 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 13.260 6.115 -0.251 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 14.510 6.955 -0.151 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -25.294 -17.983 -3.110 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -25.344 -18.863 -3.500 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -24.384 -17.733 -3.200 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 16.770 -12.077 -12.045 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 17.160 -12.617 -11.355 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 15.830 -12.137 -11.905 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 19.066 14.227 19.412 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 18.806 13.467 19.922 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 18.276 14.457 18.922 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 -10.024 22.854 -15.639 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 -9.504 22.814 -16.439 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 -10.004 21.964 -15.289 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 -22.519 25.277 -12.954 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 -21.699 24.997 -12.544 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 -23.149 24.597 -12.704 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 10.951 -1.702 -25.341 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 10.711 -1.412 -24.461 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 10.971 -0.892 -25.851 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 -0.162 -17.765 -8.474 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 -0.902 -18.255 -8.114 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 0.518 -18.425 -8.624 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 -2.796 -14.015 25.026 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 -2.356 -13.165 24.966 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 -3.286 -14.085 24.216 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 -4.932 5.368 -12.861 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 -5.392 5.118 -12.061 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 -4.122 5.778 -12.571 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 -12.433 11.730 -6.623 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 -12.863 10.880 -6.613 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 -12.043 11.820 -5.753 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -7.376 11.416 -8.658 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -6.556 11.906 -8.628 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -7.556 11.196 -7.738 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 3.859 -13.259 0.631 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 4.179 -13.539 -0.229 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 3.519 -14.069 1.021 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 8.140 9.847 -8.058 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 7.300 9.437 -7.888 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 8.180 9.947 -9.008 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 21.333 -7.735 -24.978 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 20.873 -7.835 -25.818 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 22.043 -8.375 -25.018 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 21.932 -22.823 2.912 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 22.301 -21.963 3.132 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 22.391 -23.433 3.492 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 10.007 24.305 22.172 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 9.777 23.405 21.922 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 10.667 24.185 22.872 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.360 5.368 -0.433 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 10.530 5.318 -0.893 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 11.190 5.968 0.297 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 21.905 18.138 -7.428 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 21.765 17.188 -7.358 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 22.275 18.388 -6.588 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 7.755 20.442 25.058 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 7.825 19.722 24.418 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 8.085 21.202 24.598 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 10.954 4.475 -9.655 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 10.074 4.865 -9.575 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 11.504 4.995 -9.065 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 -16.679 -14.551 12.226 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 -17.399 -13.921 12.266 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 -16.049 -14.231 12.866 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 -11.073 -19.505 -11.866 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 -11.633 -20.255 -12.066 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 -11.613 -18.965 -11.286 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 -2.887 6.671 7.322 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 -3.177 5.891 7.802 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 -3.537 7.341 7.552 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 21.160 -3.617 18.322 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 21.020 -4.537 18.092 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 21.790 -3.637 19.032 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 -5.785 -23.465 -0.149 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 -5.345 -24.305 -0.029 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 -5.885 -23.385 -1.099 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 -0.591 23.411 22.669 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 -1.071 24.171 22.999 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 -0.061 23.751 21.949 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 -3.643 20.877 -5.923 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 -3.443 21.737 -5.563 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 -3.573 20.287 -5.173 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 15.516 12.637 -15.714 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 15.266 13.547 -15.584 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 15.326 12.207 -14.884 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 20.685 20.308 -13.735 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 21.165 20.988 -14.205 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 21.365 19.758 -13.345 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 -19.884 -5.887 -18.791 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 -19.154 -5.817 -18.171 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 -20.544 -6.377 -18.311 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 3.804 7.764 3.568 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 3.234 8.524 3.688 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 3.364 7.054 4.028 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 9.051 -15.974 -13.043 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 9.831 -15.924 -12.483 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 9.341 -16.464 -13.813 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -9.069 8.823 -19.636 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -9.279 7.893 -19.696 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -8.589 8.913 -18.816 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 22.387 -15.750 23.385 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 22.857 -15.160 22.805 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 22.997 -16.470 23.555 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 2.848 9.307 12.622 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 2.868 8.707 11.882 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 3.348 10.067 12.332 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 -23.952 25.351 -25.421 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 -23.772 24.571 -24.901 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 -24.862 25.571 -25.231 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 3.099 -13.612 7.839 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 3.809 -14.232 7.709 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 2.389 -14.122 8.219 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -14.111 4.485 23.629 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -13.521 4.905 24.259 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -14.981 4.605 23.999 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 -11.417 12.122 20.674 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 -12.337 11.992 20.904 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 -11.157 12.892 21.184 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 3.459 21.565 -0.153 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 3.839 21.885 0.667 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 2.689 22.105 -0.283 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 23.465 10.934 14.369 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 23.045 10.404 13.689 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 23.015 10.684 15.179 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 -6.306 17.440 -16.657 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 -6.066 16.810 -15.967 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 -6.736 16.900 -17.327 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 -21.853 9.983 -18.417 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 -21.743 9.543 -19.257 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 -22.793 10.143 -18.347 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 24.291 -23.185 -14.948 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 24.361 -22.895 -14.048 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 24.761 -22.515 -15.458 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 18.136 13.366 8.919 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 17.356 13.036 9.339 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 18.776 12.656 8.989 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 15.894 -14.015 0.969 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 16.274 -14.885 0.839 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 16.514 -13.575 1.549 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -14.476 4.326 -1.729 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -15.096 3.656 -1.439 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -14.106 4.666 -0.909 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 22.516 -0.975 12.949 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 22.256 -1.615 13.619 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 21.706 -0.515 12.729 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 4.123 -18.599 -13.785 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 3.993 -17.819 -14.325 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 4.823 -18.359 -13.175 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 -0.729 20.665 15.103 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 -1.469 20.865 15.683 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 -0.809 19.725 14.943 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 19.306 -25.094 -0.136 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 18.896 -25.204 -0.996 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 18.756 -24.454 0.314 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 -12.320 -3.132 1.071 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 -12.240 -2.562 0.311 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 -13.020 -3.752 0.841 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -7.184 -24.038 -15.191 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -6.694 -23.948 -16.011 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -6.824 -24.828 -14.791 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 15.335 -9.927 -13.215 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 16.215 -10.317 -13.245 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 14.825 -10.437 -13.845 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -5.507 -19.572 -3.839 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -4.927 -18.862 -4.109 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -6.067 -19.722 -4.609 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 13.418 18.450 10.557 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 13.588 19.250 11.057 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 14.048 17.810 10.897 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.145 -15.617 -8.343 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.805 -16.217 -8.703 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.945 -15.967 -7.473 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 -18.872 -3.120 18.639 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 -18.982 -2.250 19.009 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 -18.472 -3.630 19.349 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 -25.065 -2.160 -9.038 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 -25.925 -2.470 -9.338 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 -24.435 -2.550 -9.638 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 -23.467 -0.540 -1.655 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 -23.517 0.270 -1.155 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 -24.377 -0.770 -1.835 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 -16.009 22.117 -1.171 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 -15.859 22.627 -1.971 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 -15.239 21.547 -1.111 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 22.631 24.911 -6.829 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 22.101 24.921 -7.619 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 22.211 24.261 -6.269 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 4.660 -21.324 7.266 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 4.620 -20.924 8.136 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 5.030 -22.194 7.426 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -4.833 12.090 -11.794 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -5.483 12.630 -12.244 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -4.503 11.500 -12.474 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -3.780 8.720 -21.724 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -3.250 8.710 -20.924 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -3.300 9.300 -22.314 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 18.800 -18.760 19.159 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 18.760 -19.640 19.529 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 19.410 -18.820 18.429 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 -16.547 -7.170 13.242 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 -17.107 -7.900 13.492 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 -17.017 -6.730 12.532 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 1.841 -24.054 -13.671 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 1.501 -23.204 -13.381 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 1.541 -24.674 -13.021 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 18.915 -18.307 -16.841 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 18.135 -17.757 -16.871 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 19.415 -17.977 -16.101 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 3.724 -23.931 4.836 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 3.314 -23.261 4.296 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 3.914 -23.481 5.666 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 1.641 -0.931 -22.561 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 2.531 -1.281 -22.451 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 1.091 -1.551 -22.081 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -8.607 -9.097 24.422 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -9.097 -9.677 25.012 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -8.067 -8.567 25.002 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -17.205 -24.514 8.883 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -17.235 -25.464 8.803 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -18.115 -24.234 8.853 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 15.733 22.734 -12.921 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 16.433 22.654 -12.271 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 15.313 23.574 -12.711 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -4.422 16.891 -19.081 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -4.532 15.941 -19.121 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -5.002 17.171 -18.371 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -4.911 -1.635 18.359 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -4.671 -2.035 17.519 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -5.851 -1.465 18.279 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -25.229 10.371 20.239 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -24.389 9.921 20.329 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -24.999 11.291 20.109 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 -19.782 -16.789 14.164 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 -20.322 -17.089 14.884 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 -19.262 -17.549 13.924 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 -18.505 8.246 -11.345 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 -18.455 9.096 -11.785 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 -17.595 8.026 -11.145 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 9.431 -15.611 11.246 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 9.531 -16.541 11.446 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 9.501 -15.561 10.286 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 11.825 -24.881 -3.224 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 11.455 -24.061 -2.914 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 11.095 -25.341 -3.624 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 -11.867 -17.908 15.485 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 -11.827 -18.388 14.655 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 -12.787 -17.908 15.725 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 -10.176 16.042 11.874 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 -10.866 16.182 11.224 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 -10.466 16.532 12.644 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 11.387 18.029 -12.173 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 12.047 18.709 -12.283 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 10.587 18.419 -12.523 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -9.495 -15.001 -7.885 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -8.535 -15.031 -7.945 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -9.705 -15.621 -7.195 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 1.757 -24.508 17.064 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 0.817 -24.588 16.904 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 2.137 -24.388 16.194 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 -18.324 -22.127 10.694 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 -19.244 -22.017 10.924 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 -18.004 -21.237 10.564 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 7.660 15.048 12.329 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 7.420 15.368 13.199 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 8.340 14.398 12.479 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 -19.945 5.198 -21.131 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 -19.145 4.708 -20.951 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 -19.645 6.098 -21.281 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 14.279 -3.927 -16.913 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 13.999 -3.487 -17.723 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 14.509 -3.217 -16.323 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 3.245 12.954 -17.748 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 3.315 13.204 -18.668 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 2.315 12.764 -17.628 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -5.985 21.344 10.411 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -6.925 21.254 10.251 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -5.935 21.784 11.261 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -14.976 12.082 -10.628 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -14.486 12.282 -9.838 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -15.216 11.152 -10.538 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -11.245 -24.577 15.978 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -12.155 -24.337 15.778 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -10.725 -23.847 15.628 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 12.736 20.238 22.509 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 13.646 20.528 22.559 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 12.606 19.698 23.289 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 15.123 -13.630 21.545 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 14.933 -14.570 21.595 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 15.903 -13.520 22.095 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 -5.536 -2.311 6.582 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 -6.196 -2.601 5.962 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 -4.746 -2.191 6.052 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 23.720 -11.417 15.010 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 24.640 -11.157 14.970 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 23.750 -12.367 15.160 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 -9.576 -17.388 21.309 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 -9.626 -16.438 21.269 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 -9.896 -17.678 20.449 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 15.564 8.103 18.102 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 15.574 7.173 17.852 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 16.104 8.143 18.892 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 18.909 -4.479 14.778 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 18.039 -4.259 14.438 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 18.819 -4.419 15.728 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -0.301 -16.673 -20.608 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 0.129 -17.523 -20.458 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -0.051 -16.433 -21.498 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 -7.350 -16.937 -4.205 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 -7.520 -16.997 -3.265 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 -6.540 -16.437 -4.275 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 -22.336 -11.129 -0.788 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 -22.006 -10.649 -1.548 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 -23.276 -11.249 -0.968 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 6.494 2.135 -22.944 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 6.754 3.055 -22.964 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 5.644 2.115 -23.364 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 17.017 7.835 -13.735 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 17.627 7.285 -13.245 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 16.787 8.535 -13.135 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -10.709 14.208 1.192 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -11.099 14.478 0.362 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -9.939 13.698 0.932 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 12.235 -7.731 -18.734 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 12.605 -7.241 -18.004 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 11.295 -7.721 -18.584 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 21.838 8.381 -0.962 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 20.988 8.811 -0.892 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 22.128 8.581 -1.852 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 1.049 -12.460 10.659 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 0.749 -13.260 10.229 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 1.729 -12.110 10.089 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 11.909 -9.207 21.137 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 12.729 -8.707 21.127 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 11.259 -8.617 20.747 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 8.083 13.509 20.932 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 8.233 14.159 21.612 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 8.313 12.669 21.342 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -19.354 14.503 -3.281 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -18.884 13.703 -3.041 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -19.394 14.473 -4.241 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 -5.831 3.624 17.315 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 -5.341 3.894 18.095 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 -5.801 4.374 16.735 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 -20.514 -18.579 10.836 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 -20.474 -18.899 9.936 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 -20.704 -17.639 10.756 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -23.546 5.784 -5.658 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -22.896 6.484 -5.708 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -24.356 6.224 -5.418 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 4.005 4.346 -13.138 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 3.225 4.366 -12.578 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 3.665 4.116 -14.008 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 0.430 13.297 -21.788 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 1.070 12.657 -21.488 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 -0.390 13.037 -21.378 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -18.134 -20.104 -17.516 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -17.244 -19.774 -17.626 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -18.304 -20.044 -16.576 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -6.174 17.152 -4.622 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -5.484 17.362 -5.242 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -6.394 17.992 -4.212 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 24.281 -0.486 -1.961 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 23.491 -0.646 -1.431 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 23.941 -0.176 -2.801 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -6.701 -20.684 0.791 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -5.841 -20.814 0.401 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -7.141 -21.534 0.681 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -0.279 6.071 -24.649 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 0.651 6.251 -24.499 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -0.569 6.761 -25.239 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 16.863 2.873 0.056 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 17.183 2.983 0.956 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 17.363 2.143 -0.284 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 16.019 -24.525 23.977 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 16.089 -23.595 23.757 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 15.979 -24.975 23.127 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -8.302 -24.965 9.341 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -7.632 -25.365 9.891 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -7.892 -24.175 8.991 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 19.903 0.982 22.047 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 20.763 0.932 21.637 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 19.393 1.552 21.467 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 -3.889 24.476 21.569 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 -4.379 24.926 20.879 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 -4.529 24.316 22.259 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -14.122 22.890 -12.559 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -14.112 23.670 -11.999 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -14.642 22.250 -12.069 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 21.843 17.125 20.795 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 21.773 16.175 20.815 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 21.873 17.385 21.715 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 12.846 -0.491 12.172 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 13.146 -1.361 12.432 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 13.526 0.099 12.492 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -16.446 3.505 -25.378 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -15.816 3.895 -24.778 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -17.206 3.295 -24.838 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 8.667 6.865 19.712 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 8.997 7.405 20.432 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.327 6.945 19.022 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 5.931 7.475 1.748 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 5.991 8.425 1.808 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 5.171 7.245 2.298 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 -11.255 -6.591 -14.454 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 -10.435 -6.581 -13.964 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 -11.225 -5.781 -14.964 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -15.466 -11.807 9.483 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -16.186 -12.377 9.193 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -15.876 -11.207 10.113 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 7.294 -18.165 20.437 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 7.024 -17.855 21.297 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 7.674 -17.395 20.007 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 24.025 22.708 7.621 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 24.465 21.908 7.881 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 23.155 22.428 7.341 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -23.836 -14.286 -3.687 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -24.496 -14.466 -3.017 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -23.126 -13.856 -3.217 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 22.557 15.821 -14.276 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 22.117 15.021 -14.556 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 23.407 15.781 -14.726 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -15.409 -2.979 -8.044 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -14.939 -3.729 -7.684 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -16.269 -3.309 -8.274 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 -10.307 -4.042 20.360 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 -10.547 -4.212 19.450 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 -10.937 -4.532 20.880 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 -15.907 24.551 24.113 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 -15.867 24.571 25.073 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 -15.607 25.421 23.843 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 12.015 4.613 -12.899 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 11.945 4.883 -13.819 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 11.105 4.433 -12.639 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 -9.310 -8.200 4.316 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 -8.960 -9.090 4.266 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 -10.220 -8.290 4.016 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -14.624 7.515 -2.876 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -14.874 6.835 -3.506 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -14.024 7.075 -2.276 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 20.774 7.747 -13.164 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 20.034 7.247 -12.814 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 21.214 7.137 -13.754 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -17.772 2.595 -3.751 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -18.182 2.655 -4.611 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -18.272 3.195 -3.201 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -3.854 1.912 24.361 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -4.704 1.492 24.301 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -3.994 2.672 24.911 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 14.160 -6.667 -21.004 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 14.960 -6.407 -20.544 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 13.460 -6.507 -20.374 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -5.851 12.593 -1.245 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -5.521 13.013 -2.035 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -5.441 13.073 -0.525 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 -13.285 18.312 -10.430 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 -12.535 18.022 -9.910 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 -13.125 19.242 -10.580 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 1.073 20.382 -7.464 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 1.503 20.662 -8.264 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 1.113 19.422 -7.504 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -2.346 -4.113 21.779 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -3.176 -4.203 21.309 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -2.296 -3.183 21.999 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 9.451 4.345 -19.484 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 9.421 3.565 -20.034 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 8.721 4.885 -19.794 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 11.583 11.415 -3.591 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 10.673 11.685 -3.731 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 11.983 11.455 -4.451 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -16.214 11.823 6.181 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -15.504 12.163 5.651 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -15.834 11.683 7.051 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 -4.899 -4.332 -3.215 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 -5.239 -4.762 -4.005 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 -4.629 -3.462 -3.515 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 -9.906 -24.397 -14.918 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 -10.386 -24.097 -15.688 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 -8.986 -24.367 -15.168 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 -13.896 -21.439 13.455 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 -14.816 -21.219 13.305 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 -13.786 -22.319 13.085 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -14.915 -7.234 -24.681 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -14.065 -6.824 -24.511 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -14.825 -8.124 -24.331 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -15.159 9.417 -10.645 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -15.489 8.617 -10.255 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -14.279 9.517 -10.275 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 8.079 10.920 22.401 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 7.169 11.000 22.131 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 8.079 11.170 23.331 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 15.603 9.722 8.966 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 14.803 9.272 9.236 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 15.333 10.632 8.836 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -20.146 6.641 -16.498 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.376 5.721 -16.598 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.546 6.661 -15.758 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 1.317 -17.903 20.699 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 0.417 -17.623 20.519 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 1.407 -18.743 20.249 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 9.780 19.415 1.836 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 10.390 19.025 2.456 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 8.930 19.055 2.086 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 -24.300 7.631 -14.709 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 -24.520 7.581 -13.779 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 -25.110 7.921 -15.129 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 9.107 22.651 5.496 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 8.607 22.051 4.946 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 9.677 22.091 6.016 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 18.956 15.995 -8.984 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 18.086 15.915 -9.374 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 19.466 16.475 -9.644 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 -13.733 16.202 -21.050 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 -13.643 17.152 -21.110 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 -13.033 15.932 -20.470 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -11.437 9.192 -21.141 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -11.787 8.522 -20.551 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -10.487 9.172 -20.981 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 24.595 1.851 16.939 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 25.275 1.921 16.259 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 25.025 2.181 17.729 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 13.436 -5.360 4.549 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 14.136 -4.800 4.879 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 13.466 -6.130 5.119 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 -22.180 -25.227 -20.331 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 -21.270 -25.087 -20.061 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 -22.700 -24.757 -19.681 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 10.908 17.362 -9.254 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 10.638 16.472 -9.474 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 11.088 17.772 -10.094 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -21.187 -16.134 3.760 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -21.677 -15.994 4.570 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -20.277 -15.934 3.980 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -15.260 4.152 -16.017 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -16.140 4.422 -15.747 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -15.290 3.192 -15.987 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -10.185 11.194 -17.684 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -10.925 10.704 -17.334 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -9.805 10.614 -18.344 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 4.206 5.133 18.684 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 3.386 5.253 19.164 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 4.776 4.663 19.294 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -1.452 -10.217 21.577 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -1.202 -9.417 21.117 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -1.412 -10.897 20.907 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 -12.062 -3.057 -3.494 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 -12.282 -3.157 -4.424 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 -12.862 -2.717 -3.094 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -0.497 7.895 -14.107 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -0.577 7.675 -15.037 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -0.267 7.075 -13.687 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 -2.612 20.669 7.519 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 -2.332 21.279 6.839 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 -1.872 20.059 7.609 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 1.041 -20.995 -6.288 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 0.841 -21.655 -6.958 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 1.971 -21.095 -6.118 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 15.035 -22.209 15.585 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 14.565 -22.099 14.755 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 14.755 -21.469 16.115 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 19.355 13.515 12.499 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 19.585 12.715 12.029 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 20.185 13.975 12.609 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -22.994 3.073 6.804 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -22.064 3.213 6.954 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -23.284 3.853 6.324 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 7.506 -14.196 -14.220 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 6.756 -14.786 -14.340 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 7.806 -14.366 -13.320 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 23.178 3.009 -15.461 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 23.978 3.109 -15.981 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 23.428 3.309 -14.581 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 5.251 9.651 -22.057 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 4.391 9.551 -21.657 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 5.851 9.731 -21.317 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -4.571 22.724 12.474 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -4.371 23.594 12.124 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -4.691 22.854 13.414 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 0.547 -25.103 10.262 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 1.247 -25.403 10.842 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 0.997 -24.903 9.432 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -8.619 -14.022 -19.255 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -8.559 -13.762 -18.335 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -7.769 -13.792 -19.625 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -22.295 -10.521 21.692 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -21.775 -10.911 20.992 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -23.185 -10.501 21.362 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 2.265 -20.483 -20.750 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 3.165 -20.763 -20.940 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 1.925 -21.163 -20.170 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -3.179 8.750 -18.165 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -4.009 9.170 -17.955 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -3.409 7.830 -18.295 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 9.751 14.206 -2.736 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 10.321 14.956 -2.566 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 8.861 14.526 -2.606 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -16.557 -1.777 -5.623 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -16.437 -2.257 -6.433 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -17.007 -2.397 -5.043 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 -16.892 17.094 17.438 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 -16.272 17.614 16.928 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 -17.692 17.614 17.448 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.035 11.128 -24.013 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -8.625 11.508 -23.233 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.295 10.788 -24.523 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 17.847 -1.870 -15.311 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 17.367 -1.530 -14.561 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 17.937 -1.120 -15.901 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 -24.765 -6.390 4.997 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 -24.255 -7.150 4.727 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 -25.005 -5.960 4.177 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 21.403 -13.564 20.815 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 21.043 -12.674 20.775 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 21.943 -13.644 20.035 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 -19.035 -0.638 -3.963 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 -18.545 -1.458 -3.973 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 -18.475 -0.018 -4.433 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 14.627 20.209 5.624 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 14.537 21.119 5.904 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 15.477 20.169 5.194 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -12.791 -6.404 16.085 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -12.431 -6.224 15.215 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -13.561 -5.834 16.145 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -13.606 -17.821 4.926 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -13.946 -18.701 5.066 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -13.446 -17.481 5.816 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 15.356 2.089 -16.428 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 14.596 2.389 -16.928 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 15.686 2.889 -16.008 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 6.250 4.254 -16.489 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 6.720 4.144 -17.309 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 6.710 4.964 -16.029 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 -18.145 -23.480 14.659 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 -18.385 -24.380 14.449 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 -18.925 -22.970 14.429 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -13.452 2.744 14.209 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -14.092 2.774 14.919 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -12.722 3.264 14.519 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 -2.063 13.654 -20.973 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 -1.863 13.994 -21.843 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 -2.223 14.424 -20.443 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 15.247 23.511 18.857 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 15.607 24.321 18.507 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 15.217 23.651 19.807 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 21.719 -0.262 20.085 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 21.309 -1.122 19.945 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 22.439 -0.232 19.455 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 20.437 19.740 -23.728 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 20.607 20.580 -24.168 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 20.297 19.120 -24.448 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 7.936 0.231 -3.884 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 8.786 0.671 -3.954 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 8.136 -0.629 -3.534 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 -6.910 13.851 -12.110 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 -7.750 14.301 -12.260 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 -7.110 13.211 -11.420 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 22.885 -22.101 22.113 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 23.335 -22.871 22.453 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 22.815 -22.261 21.173 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 -2.935 -19.733 -22.895 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 -2.355 -20.303 -22.395 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 -2.405 -18.953 -23.075 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -12.995 9.565 -3.881 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -13.185 8.715 -3.491 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -12.205 9.865 -3.421 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 18.518 -23.791 -8.684 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 18.978 -24.631 -8.704 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 17.848 -23.901 -8.014 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 -1.833 -21.226 -18.081 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 -1.853 -21.316 -19.031 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 -1.713 -22.116 -17.751 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 18.651 0.398 -23.072 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 17.971 -0.242 -22.862 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 18.311 0.868 -23.842 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 -7.625 -22.562 -4.926 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 -6.805 -22.872 -5.296 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 -7.775 -23.132 -4.166 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 7.778 19.351 20.070 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 8.358 19.791 19.460 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 7.538 18.531 19.630 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 16.388 23.398 9.551 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 17.298 23.338 9.241 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 16.068 24.218 9.191 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 22.644 -5.541 23.840 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 23.374 -4.961 24.030 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 22.494 -6.021 24.660 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 -1.834 14.254 6.911 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 -1.964 15.134 7.281 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 -2.694 14.014 6.561 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -19.032 -0.947 3.596 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -19.642 -1.457 3.076 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -19.422 -0.067 3.636 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 -11.207 7.591 -16.258 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 -12.007 7.891 -15.828 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 -10.957 6.811 -15.768 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 7.149 -0.550 11.966 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 7.019 -0.970 11.116 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 7.989 -0.890 12.276 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -0.091 -6.459 21.231 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 0.079 -6.449 22.171 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 0.759 -6.289 20.821 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 -1.581 18.357 -23.858 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 -1.151 18.087 -23.048 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 -2.451 18.647 -23.578 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -22.230 -7.689 -14.916 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -22.350 -8.579 -15.256 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -21.360 -7.699 -14.526 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -5.194 12.489 2.019 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 -6.144 12.389 1.969 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -4.914 11.849 2.679 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 2.429 8.698 -19.124 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 2.399 7.918 -18.564 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 1.589 9.128 -18.964 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 -7.895 -24.695 1.168 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 -8.585 -25.075 1.718 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 -8.015 -23.755 1.258 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 -3.271 -24.298 -12.401 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 -3.531 -24.578 -11.521 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 -2.331 -24.478 -12.441 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -2.426 -11.170 4.883 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -2.346 -10.780 4.013 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -3.306 -10.910 5.173 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 12.500 11.205 -6.655 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 12.190 11.415 -7.545 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 12.560 10.255 -6.645 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 4.025 8.780 -5.158 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 4.135 8.360 -4.308 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 3.815 9.690 -4.948 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 22.280 12.511 -9.814 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 23.020 13.111 -9.754 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 21.540 12.991 -9.434 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 -3.766 5.777 -25.284 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 -3.886 6.547 -25.844 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 -3.016 5.997 -24.734 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.896 -19.246 -1.288 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.796 -19.436 -2.218 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -19.846 -18.296 -1.218 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 16.607 -22.682 -17.978 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 16.117 -23.412 -17.598 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 17.437 -22.682 -17.518 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 13.645 -19.668 12.635 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 12.915 -19.168 12.995 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 13.235 -20.248 11.995 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 17.731 23.505 -11.028 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 17.381 22.775 -10.518 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 18.681 23.395 -10.998 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 -22.757 -1.898 -24.325 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 -22.037 -1.828 -23.695 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 -23.437 -1.318 -23.965 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.228 15.067 2.249 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.588 15.387 3.069 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 12.978 14.977 1.669 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 -2.750 17.903 -12.625 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 -3.070 17.353 -13.345 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 -3.080 17.483 -11.835 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 15.061 14.128 4.339 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 14.631 13.298 4.169 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 15.701 13.938 5.029 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 16.125 18.947 21.731 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 17.055 18.727 21.681 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 16.015 19.687 21.131 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 15.224 -2.377 0.484 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 15.944 -1.837 0.804 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 15.194 -2.207 -0.456 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 3.103 -9.578 -0.365 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 2.413 -10.198 -0.615 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 3.163 -9.658 0.585 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 10.941 -14.789 7.516 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 10.961 -15.749 7.576 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 11.851 -14.539 7.396 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 -2.224 8.771 17.584 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 -2.794 9.531 17.484 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 -1.474 9.101 18.074 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 -9.103 -3.364 2.846 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 -9.673 -3.704 3.526 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 -9.673 -2.844 2.276 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 23.937 -16.012 1.256 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 23.497 -16.042 2.106 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 24.547 -16.742 1.266 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 16.426 10.174 4.787 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 16.126 9.404 5.277 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 16.066 10.054 3.917 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 23.437 -18.740 24.547 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 22.927 -18.950 23.757 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 23.467 -19.570 25.027 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 17.177 -23.451 14.465 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 16.307 -23.321 14.835 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 17.347 -24.391 14.565 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 -11.656 -3.302 -6.358 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 -11.056 -3.952 -5.998 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 -12.246 -3.802 -6.928 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -8.989 12.993 10.629 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -9.159 12.213 10.109 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -9.289 12.763 11.509 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 -17.163 -6.039 -14.455 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 -17.443 -6.909 -14.755 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 -17.433 -5.999 -13.545 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 -5.599 -12.900 13.081 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 -5.719 -12.030 12.711 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 -5.329 -13.440 12.341 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -19.531 10.065 20.055 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -18.991 9.395 19.625 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -19.461 10.835 19.485 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 10.437 -14.422 -15.785 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 9.487 -14.402 -15.825 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 10.707 -13.512 -15.925 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 9.591 20.591 -16.998 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 8.861 20.261 -17.508 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 9.751 21.461 -17.348 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 15.575 22.511 -5.828 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 15.155 21.741 -5.458 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 16.245 22.751 -5.188 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 -23.596 -12.594 19.781 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 -24.056 -13.324 19.361 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 -23.406 -11.984 19.071 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 18.996 3.784 -2.124 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 19.526 3.144 -1.634 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 18.136 3.384 -2.184 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 22.963 1.125 1.506 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.613 0.245 1.346 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 23.143 1.145 2.446 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 11.005 -8.735 24.832 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 10.765 -8.125 24.132 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 11.055 -9.585 24.392 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 11.475 4.729 2.337 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 12.275 4.599 1.817 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 11.305 5.669 2.287 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 -1.681 19.610 24.269 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 -2.601 19.460 24.079 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 -1.601 19.530 25.219 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 -17.520 -16.296 19.389 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 -17.690 -17.196 19.669 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 -18.040 -15.756 19.999 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 3.770 -6.583 20.152 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 3.740 -7.273 19.492 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 4.680 -6.563 20.442 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 -11.215 18.160 -8.659 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 -10.955 17.240 -8.789 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 -11.155 18.290 -7.719 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 -24.865 -16.761 -12.518 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 -24.385 -16.331 -13.228 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 -25.785 -16.751 -12.808 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 0.810 20.721 3.463 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 1.170 21.201 2.713 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -0.130 20.911 3.433 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -12.385 18.911 -16.845 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -13.085 18.291 -17.035 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -11.885 18.961 -17.655 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -16.063 8.883 -13.325 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -15.503 9.193 -12.615 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -16.043 9.583 -13.975 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 -14.564 16.367 -4.167 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 -15.474 16.187 -3.937 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 -14.174 16.697 -3.357 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 0.761 24.763 5.455 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 0.041 24.963 6.065 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 0.321 24.543 4.635 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 19.084 -24.152 20.153 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 19.104 -23.232 19.903 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 18.784 -24.142 21.063 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 15.233 -15.244 14.542 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 15.963 -15.604 15.042 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 15.393 -14.294 14.542 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 19.443 11.232 8.328 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 18.993 10.652 8.938 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 18.933 11.162 7.518 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 21.284 -16.846 -24.633 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 21.764 -17.576 -25.033 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 21.024 -16.306 -25.373 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 14.966 -17.980 -3.794 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 15.426 -17.150 -3.644 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 14.326 -17.780 -4.474 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -4.881 6.993 1.863 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -4.111 6.953 1.293 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -5.591 7.243 1.273 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 -14.124 -18.540 -25.399 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 -13.604 -17.770 -25.159 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 -14.334 -18.960 -24.569 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 -6.510 -23.427 -11.785 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 -5.900 -22.707 -11.915 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 -7.380 -23.027 -11.825 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 22.997 7.545 11.659 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 23.857 7.715 11.269 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 23.187 7.345 12.579 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 10.311 0.825 -13.614 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 10.511 1.705 -13.944 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 10.981 0.655 -12.944 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 -12.676 -12.216 11.467 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 -13.446 -11.646 11.417 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 -12.326 -12.226 10.577 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 10.226 -23.587 -6.144 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 10.566 -22.707 -5.954 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 10.986 -24.167 -6.024 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 2.758 -22.244 -9.706 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 3.288 -21.454 -9.776 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 1.968 -22.044 -10.216 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -14.109 -10.037 -13.847 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -15.019 -10.317 -13.857 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -14.009 -9.507 -14.637 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 -21.484 -14.585 -20.147 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 -21.114 -14.395 -19.277 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 -21.974 -15.395 -20.027 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 4.037 23.112 -3.008 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 3.877 22.402 -2.388 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 4.787 22.812 -3.528 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 -14.775 -21.159 -11.114 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 -14.845 -20.289 -10.724 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 -15.355 -21.709 -10.594 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 7.806 -2.598 20.367 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 7.906 -2.418 19.427 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 7.596 -3.528 20.397 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 10.756 -20.310 -22.961 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 10.296 -21.040 -22.561 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 11.206 -20.680 -23.721 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.614 11.124 -11.435 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.164 11.884 -11.815 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -11.514 11.194 -11.755 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -5.629 2.523 9.607 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -5.389 1.733 9.117 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -5.989 2.193 10.427 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 20.093 13.024 1.429 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 20.793 12.364 1.449 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 19.553 12.814 2.189 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 8.141 4.380 14.105 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 7.951 4.270 13.175 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 7.351 4.790 14.455 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 23.227 22.251 -14.573 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 23.477 22.961 -15.173 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 24.047 21.811 -14.373 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -20.649 -10.873 24.923 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -19.889 -10.703 25.483 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -20.479 -10.373 24.123 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -19.000 1.743 24.530 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -18.100 1.433 24.460 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -19.440 1.063 25.050 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 19.501 24.189 -7.491 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 19.641 24.159 -6.541 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 19.281 23.289 -7.731 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 15.481 21.091 17.089 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 16.411 21.291 17.209 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 15.021 21.831 17.479 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -11.393 23.772 -5.732 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -12.173 24.152 -5.332 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -11.703 22.972 -6.142 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 6.329 4.875 -19.898 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 5.989 5.765 -20.008 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 5.579 4.305 -20.058 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.884 4.685 -9.529 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 7.864 5.225 -8.739 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 6.994 4.725 -9.879 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -17.340 -7.012 -0.399 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -16.470 -6.952 -0.789 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -17.280 -6.492 0.401 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -14.384 22.476 16.384 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -13.694 22.526 17.044 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -14.284 21.596 16.004 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -19.736 -16.197 -13.027 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -20.436 -16.207 -13.677 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -20.186 -16.187 -12.177 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -11.046 -18.507 -14.285 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -11.616 -17.757 -14.405 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -11.076 -18.677 -13.345 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 -6.096 -20.611 25.128 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 -6.346 -21.451 24.728 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 -6.056 -20.001 24.388 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -4.775 19.943 20.167 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -5.735 19.953 20.137 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -4.535 19.063 19.887 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 -5.618 -15.031 -5.581 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 -6.269 -14.581 -6.111 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 -4.999 -15.411 -6.211 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 -4.631 -20.090 -1.095 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 -5.331 -20.040 -1.745 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 -4.031 -19.380 -1.315 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -1.880 -3.186 -2.630 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -2.140 -2.336 -2.960 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.270 -3.816 -3.230 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.684 14.437 23.445 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 9.204 13.677 23.685 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.324 15.147 23.345 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -1.312 -17.697 21.852 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -1.822 -18.477 21.642 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -0.552 -18.017 22.322 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 -11.367 4.212 -1.925 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 -12.267 4.122 -2.245 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 -10.947 3.392 -2.165 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -21.277 1.172 -20.639 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -21.007 0.892 -19.769 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.957 0.562 -20.899 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 12.673 -24.665 -17.553 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 11.763 -24.805 -17.283 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 13.193 -24.875 -16.773 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 -21.320 23.687 3.514 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 -21.500 24.007 2.634 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 -20.570 23.097 3.414 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 -14.816 -6.849 -1.408 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 -14.226 -7.609 -1.348 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 -14.406 -6.199 -0.838 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -4.417 18.915 24.580 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -5.117 18.315 24.350 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -4.707 19.335 25.390 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -11.391 6.834 17.670 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -12.211 6.934 17.170 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -11.651 7.034 18.570 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 11.844 6.269 -18.134 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 11.234 5.609 -18.464 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 12.274 6.609 -18.914 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 -24.765 0.726 6.045 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 -24.365 1.576 6.235 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 -24.075 0.096 6.225 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 2.651 5.008 -5.850 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 3.221 4.488 -5.290 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 3.101 5.848 -5.940 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 16.704 9.605 12.989 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 16.854 9.925 12.099 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 17.374 8.935 13.119 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 6.034 -8.820 23.842 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 5.634 -8.930 22.972 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 6.234 -7.880 23.902 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 4.731 2.400 -8.240 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 5.041 1.510 -8.410 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.531 2.900 -8.080 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 5.858 -13.541 2.390 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 5.268 -13.241 1.710 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 5.508 -13.161 3.200 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 -7.941 -2.037 -19.200 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 -7.391 -1.517 -18.620 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 -8.161 -2.817 -18.690 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 20.957 -7.231 15.684 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 21.187 -7.971 15.134 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 20.497 -7.611 16.434 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 5.927 -19.128 -16.465 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 5.647 -18.428 -15.875 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 5.307 -19.108 -17.195 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -19.234 12.349 -19.481 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -18.334 12.179 -19.191 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -19.674 11.509 -19.411 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -20.067 -5.970 19.247 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -20.247 -5.950 20.187 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -20.327 -5.100 18.937 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -23.540 -8.162 -5.979 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -22.820 -7.742 -5.509 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -23.920 -7.472 -6.519 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 14.789 0.269 3.601 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 15.679 -0.071 3.531 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 14.459 0.269 2.701 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 8.835 7.962 -18.559 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 7.915 7.802 -18.349 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 9.245 8.142 -17.709 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -18.420 10.470 15.617 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -17.560 10.500 16.037 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -18.810 11.320 15.817 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -7.512 -17.416 9.008 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -6.792 -17.936 9.358 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -7.442 -16.576 9.458 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 3.398 -7.333 -8.291 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 3.898 -8.053 -7.921 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 2.948 -6.943 -7.531 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 18.849 23.063 19.221 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 19.579 23.653 19.041 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 18.439 23.433 20.001 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 7.751 17.811 -4.401 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 7.391 18.131 -3.571 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 8.381 18.491 -4.661 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 -24.030 -15.401 3.062 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 -23.130 -15.541 3.362 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 -23.940 -14.811 2.312 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 0.059 -12.669 -16.355 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -0.431 -11.849 -16.285 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 0.889 -12.409 -16.745 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -3.860 -14.779 -0.679 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -4.740 -15.009 -0.389 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -3.980 -14.029 -1.259 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 -0.184 13.673 -2.482 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 0.236 13.503 -1.632 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 -0.544 12.833 -2.752 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 18.366 -18.065 -1.791 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 18.016 -18.655 -2.451 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 19.156 -17.705 -2.191 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 6.987 3.722 3.581 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 7.607 3.042 3.831 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 7.237 4.482 4.101 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 15.103 6.334 -21.440 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 15.443 6.044 -20.600 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 14.983 7.284 -21.340 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 -16.722 0.112 17.091 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 -16.742 -0.798 17.401 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 -15.792 0.282 16.931 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 -14.614 -23.676 23.284 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 -14.734 -22.726 23.384 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 -13.934 -23.766 22.634 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 -1.366 10.474 21.805 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 -1.516 10.814 22.695 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 -1.836 11.084 21.235 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -4.793 0.262 20.179 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -4.753 -0.478 19.569 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -5.123 0.992 19.659 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -3.140 14.583 16.426 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -3.490 13.763 16.766 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -3.910 15.073 16.146 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -8.533 -18.532 6.469 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -8.943 -17.772 6.059 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -7.993 -18.162 7.179 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -24.944 -14.343 -17.451 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -24.414 -13.893 -18.111 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -24.644 -15.253 -17.481 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 -23.974 23.644 -23.173 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 -24.904 23.834 -23.083 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 -23.814 22.944 -22.533 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 -6.722 -1.407 -6.235 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 -6.682 -0.477 -6.015 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 -7.642 -1.557 -6.465 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -3.246 15.970 -14.884 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -3.356 16.870 -15.184 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -2.886 15.510 -15.634 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -25.075 -17.882 2.269 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -24.655 -17.402 2.979 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -24.545 -18.672 2.159 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -3.980 -3.016 15.914 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -3.560 -2.246 15.544 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -3.300 -3.416 16.474 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 6.663 14.861 -14.770 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 6.053 15.551 -15.010 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 6.433 14.121 -15.340 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 -12.296 10.559 16.739 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 -11.386 10.729 16.999 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 -12.636 9.999 17.439 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 10.310 11.989 -17.837 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 10.240 12.869 -17.447 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 10.910 12.109 -18.577 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 5.483 -16.838 8.598 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 5.263 -16.878 7.668 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 5.583 -15.898 8.778 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -22.323 23.801 10.157 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -21.493 23.991 9.707 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -22.053 23.341 10.957 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 7.544 -12.792 20.325 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 7.694 -13.332 19.545 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 7.414 -13.422 21.035 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 10.971 -3.602 4.990 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 11.731 -4.102 4.690 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 11.241 -3.262 5.840 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 16.250 4.611 -15.775 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 15.670 5.331 -16.005 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 16.810 4.491 -16.545 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -14.734 9.597 -22.244 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -15.034 9.187 -23.054 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -14.064 10.217 -22.524 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 22.728 10.417 -7.145 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 22.588 11.047 -7.855 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 22.968 10.967 -6.395 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -21.212 -2.900 -0.081 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -20.592 -2.270 0.309 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -21.472 -2.500 -0.911 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 13.321 12.708 -10.180 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 13.621 12.738 -9.270 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 13.661 11.878 -10.510 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 -10.965 -9.719 -5.785 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 -11.765 -9.399 -6.215 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 -11.275 -10.279 -5.075 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 4.094 -5.983 -17.957 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 4.014 -5.453 -18.757 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 3.264 -6.453 -17.907 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 -21.125 -3.235 11.663 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 -21.655 -3.955 11.313 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 -20.235 -3.585 11.703 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 -2.666 -20.060 4.966 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 -1.776 -20.330 4.746 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 -3.126 -20.870 5.166 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 0.468 1.001 16.555 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 1.048 1.601 17.005 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 0.948 0.171 16.525 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -18.377 17.025 8.102 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -18.807 17.095 8.952 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -19.027 17.375 7.482 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 6.493 18.402 -13.225 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 6.963 19.242 -13.235 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 6.893 17.892 -13.925 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 -3.992 -6.541 -2.148 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 -4.572 -7.031 -2.728 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 -4.382 -5.671 -2.098 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 9.916 22.061 2.154 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 9.046 22.451 2.184 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 9.746 21.121 2.104 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 -24.141 15.170 20.119 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 -23.281 15.030 20.519 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 -24.761 15.020 20.829 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 20.819 -15.105 -0.805 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 20.879 -14.795 0.095 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 21.679 -15.485 -0.985 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -4.524 19.273 -23.169 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -4.174 19.743 -22.409 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -5.314 18.843 -22.839 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 22.091 -9.271 -4.435 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 22.161 -9.601 -3.535 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 21.881 -10.051 -4.955 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -5.200 -24.600 14.230 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -6.040 -24.990 13.990 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -5.420 -23.970 14.930 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -4.333 10.181 -0.324 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -4.893 10.891 -0.014 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -3.993 10.491 -1.164 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 24.056 1.577 -18.913 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 24.496 0.727 -18.823 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 23.196 1.437 -18.523 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -24.340 -16.426 17.279 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -24.320 -17.036 18.019 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -23.790 -15.696 17.559 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 18.738 16.633 -17.353 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 18.498 17.453 -16.933 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 19.318 16.883 -18.073 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 7.949 -9.547 -9.012 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 7.269 -10.107 -9.382 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 8.079 -8.857 -9.662 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -15.077 1.511 22.785 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -15.457 1.121 23.575 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -15.717 2.181 22.525 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 2.239 24.076 0.942 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 2.409 24.996 1.152 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 2.729 23.586 1.592 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 21.663 -5.154 -2.907 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 21.973 -5.364 -2.027 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 21.253 -5.964 -3.207 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 16.015 1.194 20.862 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 16.435 1.964 20.472 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 15.975 1.394 21.802 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -2.237 3.704 -0.288 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -2.357 2.984 0.332 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -2.097 3.274 -1.128 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -19.030 6.526 3.180 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -18.320 5.946 2.920 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -19.290 6.226 4.050 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 9.620 -10.917 12.320 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 9.210 -11.507 11.690 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 10.490 -10.747 11.970 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 -16.513 14.020 14.505 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 -15.743 13.990 13.925 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 -16.803 14.930 14.455 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 23.224 -8.569 5.561 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 22.564 -8.649 4.871 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 23.814 -7.889 5.251 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 -18.889 9.142 4.791 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 -18.189 9.122 4.141 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 -19.589 8.622 4.401 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -0.376 4.110 2.681 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -0.926 4.760 2.241 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -0.536 4.250 3.611 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 -7.045 0.372 18.066 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 -7.635 -0.058 18.676 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 -7.385 0.142 17.196 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 -2.762 1.547 1.435 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 -3.682 1.357 1.255 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 -2.792 2.187 2.145 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -9.114 -23.451 -25.455 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -9.184 -23.831 -24.575 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -8.164 -23.441 -25.625 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 16.508 11.469 2.016 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 16.788 12.289 1.606 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 16.828 11.539 2.916 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 21.775 18.823 -17.054 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 21.245 19.563 -16.784 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 21.525 18.123 -16.444 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 -7.606 15.389 -7.332 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 -7.216 15.999 -7.962 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 -8.226 14.869 -7.852 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 9.403 -21.681 1.211 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 10.293 -21.871 0.901 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 9.413 -20.731 1.361 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 -7.034 5.368 9.762 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 -7.884 4.938 9.852 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 -6.394 4.668 9.942 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 -20.574 10.216 -24.848 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 -20.404 9.366 -24.438 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 -20.644 10.826 -24.118 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 12.580 23.459 -21.085 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 12.680 22.749 -20.445 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 11.650 23.649 -21.105 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 -23.001 8.070 -3.910 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 -22.641 8.200 -4.780 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 -23.301 8.940 -3.650 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 24.704 -24.183 5.068 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 25.054 -23.743 4.298 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 25.454 -24.643 5.448 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 -18.857 -8.362 9.025 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 -18.477 -7.502 8.885 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 -19.367 -8.272 9.835 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -7.921 -11.400 -15.054 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -8.831 -11.250 -14.794 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -7.511 -11.760 -14.264 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -19.259 4.680 -7.031 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -19.609 4.870 -7.901 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -18.389 5.080 -7.021 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 -15.269 14.894 24.195 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 -15.149 15.384 25.015 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 -16.209 14.884 24.065 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 -23.887 22.964 -1.499 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 -23.167 22.544 -1.029 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 -23.577 23.844 -1.689 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 -3.232 -17.235 12.472 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 -3.952 -17.685 12.902 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 -3.012 -16.505 13.052 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 5.990 22.908 -0.224 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 6.860 22.948 -0.634 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 6.130 23.238 0.666 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 20.631 10.963 -1.194 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 20.311 11.853 -1.364 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 20.581 10.533 -2.044 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 9.587 3.177 20.636 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 8.947 3.197 19.926 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 9.327 3.897 21.216 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 -4.850 25.294 -24.949 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 -5.080 25.294 -24.019 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 -4.040 24.784 -24.999 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 14.979 -23.460 18.305 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 14.729 -22.650 17.865 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 14.249 -24.060 18.125 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 1.886 20.371 -24.761 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 1.576 19.701 -25.381 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 2.096 21.121 -25.311 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 -20.680 6.171 1.032 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 -20.220 6.421 1.832 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 -20.870 7.001 0.592 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -0.677 -4.630 23.882 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 0.163 -4.180 23.762 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -1.087 -4.620 23.022 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 -15.463 -23.902 -3.445 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 -15.473 -23.132 -2.875 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 -15.993 -23.642 -4.205 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 10.531 -8.225 9.520 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 10.651 -7.505 8.910 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 9.701 -8.025 9.960 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -2.785 -15.169 13.957 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -2.715 -15.679 14.767 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -3.215 -14.359 14.227 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 8.810 -10.787 -2.104 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 9.010 -11.017 -1.194 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 7.990 -10.307 -2.054 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 9.931 -22.991 10.357 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 9.411 -23.631 10.837 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 9.651 -23.081 9.447 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 -21.826 -16.831 -22.589 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 -21.986 -17.751 -22.379 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 -21.006 -16.621 -22.139 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -4.021 20.451 0.823 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -3.991 20.641 -0.107 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -4.941 20.591 1.073 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 -12.216 -6.428 3.903 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 -12.116 -7.178 4.483 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 -13.146 -6.418 3.673 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 13.636 16.409 -12.195 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 12.966 16.439 -12.885 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 13.946 17.309 -12.135 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 -9.187 4.015 21.249 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 -9.457 4.825 20.809 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 -9.057 4.275 22.159 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 15.965 4.706 -23.961 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 15.735 4.536 -24.871 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 15.415 5.446 -23.711 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -10.783 -12.699 -2.061 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -9.953 -12.259 -1.861 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -10.963 -12.449 -2.971 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 23.606 -13.020 -6.124 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 24.556 -13.150 -6.194 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 23.256 -13.430 -6.914 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 17.326 -16.514 -15.734 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 16.476 -16.444 -15.284 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 17.956 -16.174 -15.094 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 6.011 -13.578 25.271 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 6.131 -12.628 25.191 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 5.521 -13.828 24.491 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 -19.136 -4.066 15.875 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 -19.966 -4.326 15.465 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 -19.346 -3.976 16.805 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 13.681 -2.293 -19.151 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 13.941 -2.733 -19.961 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 14.421 -1.723 -18.941 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 -21.063 -17.907 23.626 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 -20.283 -17.407 23.406 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 -21.093 -18.607 22.976 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 16.563 23.964 12.731 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 16.403 24.874 12.481 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 17.393 23.734 12.311 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 20.145 20.093 19.233 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 19.715 20.513 19.983 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 20.835 20.703 18.973 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 5.038 0.571 23.676 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 5.758 0.381 23.066 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 4.858 -0.279 24.086 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 22.106 -25.371 15.349 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 21.876 -24.561 14.899 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 22.806 -25.121 15.949 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 20.090 24.861 5.482 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 20.150 25.811 5.332 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 19.170 24.651 5.282 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 11.820 -12.860 -17.588 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 12.610 -13.400 -17.678 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 12.120 -11.970 -17.798 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 -15.484 -23.011 -19.251 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 -14.704 -22.631 -19.661 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 -16.184 -22.851 -19.881 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 -2.055 -5.281 -4.425 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 -1.355 -5.861 -4.135 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 -1.775 -4.971 -5.285 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 12.826 -13.760 12.025 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 13.646 -13.930 12.485 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 12.156 -14.200 12.555 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -6.302 11.489 7.155 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -5.632 10.999 6.695 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -6.652 10.879 7.795 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -15.426 8.015 -19.709 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -15.946 7.685 -20.439 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -14.766 8.565 -20.109 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -14.743 13.699 -6.286 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -14.213 12.909 -6.366 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -15.593 13.389 -5.996 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 25.031 -15.739 11.455 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 24.441 -15.749 12.215 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 25.441 -14.869 11.495 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 -8.962 13.935 -1.058 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 -9.012 13.655 -1.978 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 -8.562 14.805 -1.098 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 8.160 -9.206 14.312 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 8.150 -8.306 14.012 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 8.990 -9.566 14.002 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -15.715 15.854 19.643 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -15.935 16.504 18.973 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -15.545 15.044 19.153 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -10.406 -9.437 -2.579 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -9.816 -8.707 -2.389 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -9.866 -10.047 -3.089 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 9.339 -1.942 -18.512 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 8.939 -1.852 -17.642 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 9.889 -1.162 -18.602 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 -6.414 -24.873 -2.658 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -5.474 -24.983 -2.798 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 -6.814 -25.583 -3.168 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 -3.194 -13.372 1.885 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 -2.414 -12.832 1.785 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 -3.924 -12.762 1.835 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 -11.403 -17.445 7.589 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 -10.583 -17.495 7.089 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 -11.203 -16.865 8.329 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 -7.137 -12.440 24.559 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 -6.417 -12.280 23.959 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 -7.927 -12.370 24.019 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 12.424 -2.326 -13.619 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 13.034 -2.996 -13.929 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 12.774 -1.506 -13.949 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 2.278 20.075 5.935 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 1.978 20.335 5.065 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 2.288 20.885 6.445 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 -13.919 -10.980 19.006 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 -14.249 -11.720 19.516 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 -14.429 -11.010 18.196 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 4.713 13.297 6.144 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 4.373 12.617 5.554 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 3.943 13.767 6.434 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 9.465 5.257 -12.653 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 9.895 6.067 -12.913 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 8.945 4.997 -13.423 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 19.395 -16.193 -21.057 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 18.525 -16.543 -20.867 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 19.995 -16.773 -20.577 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 25.025 20.783 3.184 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 25.315 19.913 2.904 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 25.045 20.743 4.144 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 22.806 15.902 -21.164 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 23.406 15.962 -20.424 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 22.616 14.972 -21.254 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 7.771 -9.126 10.526 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 7.341 -9.676 9.876 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 8.351 -9.726 11.006 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 16.590 -18.925 -21.795 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 16.680 -18.645 -20.885 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 15.940 -19.625 -21.765 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 12.301 -22.914 -10.278 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 11.541 -23.494 -10.278 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 13.041 -23.494 -10.448 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 21.691 15.273 -6.458 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 21.031 15.593 -5.838 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 22.081 14.513 -6.028 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 9.324 -22.555 -2.178 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 9.804 -22.895 -2.928 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 8.424 -22.465 -2.488 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 -7.022 -16.179 -16.288 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 -7.802 -16.689 -16.058 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 -6.562 -16.729 -16.918 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 -0.497 -22.152 21.835 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 -1.317 -22.642 21.725 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 -0.097 -22.162 20.965 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 8.555 -13.207 -23.681 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 8.985 -13.867 -24.221 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 7.705 -13.077 -24.111 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 -5.196 19.186 -10.008 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 -5.836 19.866 -10.238 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 -4.406 19.676 -9.768 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 21.456 2.246 10.542 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 21.966 2.306 11.342 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 21.566 3.096 10.112 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 20.698 -15.367 -5.074 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 21.438 -15.967 -4.964 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 20.218 -15.707 -5.834 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 -13.272 -14.571 -1.821 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 -13.182 -15.481 -2.121 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 -12.372 -14.281 -1.671 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 -10.920 -12.231 -7.793 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 -10.180 -12.581 -7.293 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 -11.110 -11.391 -7.383 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -17.307 -20.420 17.279 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -17.267 -19.570 16.849 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -16.647 -20.370 17.979 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.199 -7.793 -15.794 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.489 -6.883 -15.704 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -15.799 -8.173 -16.434 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 7.541 -20.581 24.000 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 7.982 -19.751 24.170 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 6.941 -20.391 23.280 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 0.386 23.834 -1.255 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 -0.054 24.354 -1.925 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 1.156 24.354 -1.015 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -3.806 -23.731 -22.168 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -3.306 -23.341 -22.888 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -4.716 -23.541 -22.378 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 12.221 16.166 4.806 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 11.321 16.066 5.106 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 12.741 16.186 5.606 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 10.644 22.096 8.202 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 11.254 22.306 8.902 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 11.174 21.636 7.552 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 -21.964 -14.531 10.302 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 -21.964 -15.191 11.002 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 -21.514 -14.961 9.572 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -17.394 -20.608 -7.736 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -17.454 -21.518 -8.016 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -16.824 -20.188 -8.386 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 9.624 16.040 5.496 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 8.894 15.650 5.976 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 9.244 16.800 5.056 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -5.227 -11.244 -2.158 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -6.057 -11.314 -1.678 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -4.557 -11.274 -1.478 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 -3.800 -14.588 18.963 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 -4.530 -15.158 19.203 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 -3.180 -14.658 19.683 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 2.120 16.531 -14.833 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 1.400 17.071 -14.503 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 2.350 16.921 -15.673 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 -23.784 -23.045 1.312 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 -22.994 -23.135 0.772 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 -24.504 -23.245 0.712 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 1.239 8.623 16.251 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 1.239 7.683 16.071 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 1.679 9.013 15.491 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 0.819 8.965 -8.829 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 1.509 8.305 -8.729 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 0.739 9.365 -7.959 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 -20.157 4.429 -13.325 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 -20.717 3.699 -13.575 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 -19.277 4.149 -13.575 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 16.390 1.395 -9.012 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 16.950 1.195 -9.762 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 16.990 1.655 -8.312 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -17.267 1.510 2.712 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -16.647 0.810 2.502 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -17.447 1.400 3.642 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 -1.007 12.649 9.490 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 -0.357 13.169 9.020 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 -1.317 12.019 8.830 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -2.212 -20.505 0.220 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -3.112 -20.285 -0.020 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -1.692 -20.275 -0.550 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 18.629 -20.718 -8.260 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 18.549 -21.668 -8.350 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 19.339 -20.478 -8.850 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 24.533 23.514 -5.378 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 24.872 23.364 -6.268 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 23.723 23.994 -5.508 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -20.800 -8.279 -2.158 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -20.510 -7.799 -2.938 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -20.000 -8.649 -1.798 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.817 -15.286 -19.300 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.867 -15.916 -20.010 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 22.727 -15.096 -19.080 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -9.625 4.478 -6.892 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -8.775 4.318 -7.302 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -9.705 3.788 -6.232 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 8.193 2.405 16.243 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 8.103 2.875 15.413 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 8.043 3.075 16.913 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -20.803 -12.631 -15.672 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -20.223 -11.921 -15.922 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -20.383 -13.421 -16.002 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -6.650 -13.318 -3.548 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -5.850 -12.868 -3.268 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -6.350 -13.988 -4.158 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 11.087 9.495 -22.018 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 10.657 9.535 -22.868 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 10.977 10.375 -21.658 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 -4.035 -3.053 -13.090 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 -4.115 -3.963 -12.800 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 -4.845 -2.643 -12.790 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 -0.885 -12.165 -5.915 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 0.065 -12.205 -6.015 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 -1.025 -12.145 -4.975 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 -10.056 7.838 -8.800 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 -10.596 7.128 -9.130 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 -9.156 7.578 -9.030 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 25.343 19.905 6.032 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 24.643 20.185 6.622 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 25.673 19.095 6.422 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -10.027 -23.831 -4.801 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -9.977 -24.761 -4.991 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -9.197 -23.471 -5.111 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 -18.830 20.396 -18.238 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 -19.050 21.236 -17.838 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 -17.950 20.206 -17.938 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -7.897 -6.105 15.275 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -8.817 -5.945 15.485 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -7.547 -5.235 15.085 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 12.359 -18.627 -21.046 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 11.589 -18.897 -20.536 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 12.819 -18.017 -20.476 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 -19.132 -9.210 -9.599 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 -18.352 -8.650 -9.629 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 -19.842 -8.630 -9.889 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 12.373 -23.430 20.194 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 12.853 -22.650 19.924 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 12.473 -23.450 21.144 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 24.345 13.320 6.391 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 24.735 14.160 6.171 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 23.685 13.170 5.711 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 -9.648 -6.937 -2.731 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 -9.359 -6.407 -1.991 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 -10.499 -6.567 -2.971 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 -24.146 -7.495 0.622 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 -23.316 -7.015 0.602 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 -24.816 -6.825 0.462 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 -14.302 2.913 -10.962 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 -15.002 2.393 -10.572 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 -14.712 3.363 -11.692 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -1.105 15.572 -9.062 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -0.365 15.052 -8.722 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -1.875 15.202 -8.642 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 4.689 0.395 4.947 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 3.929 0.765 5.407 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 5.069 -0.235 5.557 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 -22.320 9.983 7.668 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 -23.030 9.653 7.118 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 -22.500 10.913 7.758 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -1.485 -17.097 8.995 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -1.205 -16.287 8.565 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -2.045 -17.527 8.355 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 6.308 -23.829 -22.118 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 7.058 -24.249 -22.528 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 6.378 -22.899 -22.368 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -5.042 5.013 -10.181 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -4.832 5.903 -9.901 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -4.532 4.453 -9.591 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 5.401 3.033 20.264 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 5.311 2.733 21.174 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 4.691 2.583 19.804 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 16.198 9.011 -9.028 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 16.818 9.741 -9.038 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 16.708 8.281 -8.678 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 5.859 4.313 -0.584 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 6.109 3.983 -1.454 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 6.629 4.783 -0.274 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 -18.052 -11.938 -10.693 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 -18.702 -12.368 -11.253 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 -18.552 -11.668 -9.923 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 22.904 -2.994 21.012 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 23.204 -2.394 20.322 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 22.194 -2.534 21.442 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.365 4.522 9.442 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 13.905 3.922 10.042 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 15.105 4.852 9.952 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 23.508 -20.263 2.857 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 23.928 -19.423 3.057 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 23.718 -20.413 1.927 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -24.333 -14.317 -22.765 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -25.013 -14.917 -23.055 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -23.543 -14.617 -23.225 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 22.963 -20.880 -23.908 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 22.873 -21.820 -23.808 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 22.073 -20.540 -23.838 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 -7.193 -6.559 3.393 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 -7.763 -6.119 2.773 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 -7.793 -7.009 3.993 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 0.341 -15.178 -18.411 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 0.111 -14.258 -18.301 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -0.189 -15.458 -19.161 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 20.735 17.122 -20.146 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 21.225 16.652 -20.816 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.385 17.692 -19.726 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 -12.074 16.871 21.562 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 -11.754 17.271 20.752 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 -11.474 16.141 21.722 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -18.169 -11.581 7.882 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -17.259 -11.351 7.722 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -18.559 -10.801 8.282 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 7.309 21.553 -7.521 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 6.669 22.263 -7.471 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 7.339 21.203 -6.631 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -11.005 13.992 -4.351 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -10.225 14.492 -4.121 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -11.475 14.542 -4.981 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -17.353 -5.381 -17.371 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -17.333 -5.811 -16.521 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -17.023 -6.041 -17.981 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -3.506 -19.092 -10.969 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -3.246 -19.692 -11.669 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -3.636 -18.252 -11.419 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 12.870 9.623 8.512 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 12.870 9.293 9.412 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 13.140 8.873 7.982 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 9.243 -22.671 23.198 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 8.633 -22.161 23.738 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 8.753 -22.841 22.388 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 22.275 6.894 22.275 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 22.595 7.414 21.535 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 21.455 7.324 22.525 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 21.624 -5.868 13.272 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 20.974 -6.298 12.712 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 21.254 -5.918 14.152 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -1.164 13.359 -13.678 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -0.514 13.459 -14.378 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -1.134 14.189 -13.208 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -20.303 -11.460 -20.752 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -20.543 -11.760 -21.632 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -19.603 -12.060 -20.482 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 -20.125 -22.862 6.109 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 -20.065 -22.932 5.159 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 -19.225 -22.942 6.409 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 -19.321 -14.838 -16.895 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 -19.161 -15.618 -16.375 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 -18.801 -14.978 -17.695 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 5.136 13.424 -24.578 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 5.316 13.934 -23.778 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 4.436 12.824 -24.328 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -5.375 18.636 7.269 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -4.715 19.286 7.489 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -5.345 18.566 6.319 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 13.167 0.739 17.417 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 12.707 -0.031 17.097 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 13.707 1.019 16.677 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 -15.029 -5.947 4.417 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 -15.719 -6.607 4.337 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 -15.059 -5.687 5.347 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 15.915 -4.778 11.023 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 16.195 -4.138 11.683 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 16.235 -5.618 11.353 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 20.225 2.851 4.265 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 20.325 3.341 3.455 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 20.385 1.941 4.015 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 0.810 -18.928 3.651 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 -0.110 -19.148 3.821 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 1.190 -19.738 3.321 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -16.735 -5.277 16.705 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -16.855 -4.327 16.765 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -17.575 -5.607 16.375 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 18.857 -9.585 20.605 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 19.317 -10.215 21.155 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 17.937 -9.835 20.695 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 17.811 -13.035 -20.777 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 17.131 -13.605 -20.437 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 18.051 -12.475 -20.037 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 6.901 -21.816 2.499 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 7.801 -21.686 2.199 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 6.491 -22.326 1.799 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 -16.404 -19.190 14.105 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 -15.634 -18.780 13.705 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 -16.834 -18.480 14.575 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 16.844 -20.109 11.706 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 17.314 -19.439 12.186 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 15.954 -20.089 12.066 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 -14.363 16.304 -0.877 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 -14.553 15.374 -0.987 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 -13.863 16.354 -0.067 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 11.602 13.295 12.402 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 12.531 13.125 12.302 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 11.231 13.155 11.532 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 19.177 -3.851 10.164 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 18.517 -3.171 10.114 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 19.497 -3.951 9.264 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 21.374 -13.636 12.422 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 21.224 -14.226 13.162 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 21.634 -14.216 11.702 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 -13.303 -10.517 -11.159 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 -13.283 -10.457 -12.109 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 -12.693 -11.217 -10.939 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 -20.203 -2.752 -23.570 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 -19.453 -2.882 -24.140 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 -19.873 -2.212 -22.850 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 23.800 23.274 3.472 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 24.450 23.954 3.302 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 24.290 22.454 3.422 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 8.875 24.913 -3.828 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 8.145 25.503 -3.978 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 8.525 24.033 -3.968 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 13.160 7.843 -9.523 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 12.440 8.463 -9.613 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 13.870 8.353 -9.123 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 9.857 -18.762 -15.138 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 8.957 -18.602 -14.848 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 10.307 -19.092 -14.358 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 -15.487 -10.719 -0.904 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 -16.087 -10.269 -1.494 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 -15.697 -11.649 -0.994 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 0.238 -2.137 0.526 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 0.348 -2.717 -0.224 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -0.692 -1.927 0.526 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 23.058 -15.856 13.483 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 22.878 -15.846 14.423 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 23.058 -16.786 13.253 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 14.607 -4.062 -25.418 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 15.077 -3.232 -25.338 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 14.387 -4.302 -24.518 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 13.878 9.684 2.562 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 13.858 8.874 3.072 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 13.618 10.364 3.182 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -21.331 -13.083 15.122 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -20.771 -13.793 15.452 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -20.761 -12.593 14.532 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 4.886 11.021 11.281 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 5.306 11.881 11.381 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 5.496 10.511 10.761 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 12.511 7.090 -15.026 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 13.281 7.050 -14.466 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 12.861 7.050 -15.916 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 -16.066 3.019 9.720 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 -16.086 2.129 10.080 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 -15.586 2.929 8.900 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 -4.569 1.621 16.080 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 -5.269 2.021 16.600 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 -3.949 2.331 15.940 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 11.268 1.567 -7.747 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 11.088 2.207 -7.067 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 11.608 2.077 -8.487 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 16.489 13.921 24.951 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 17.279 14.401 25.211 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 16.809 13.201 24.411 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -21.426 1.903 -23.706 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -20.766 1.323 -23.316 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -21.876 2.293 -22.956 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 8.436 -22.683 14.252 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 7.966 -21.863 14.062 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 9.276 -22.393 14.602 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 15.314 7.495 -16.004 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 15.134 8.425 -16.124 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 15.874 7.455 -15.224 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 -7.416 24.229 -21.014 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 -7.776 23.439 -20.614 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 -6.776 23.899 -21.654 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 22.610 -8.109 21.891 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 23.550 -7.979 22.051 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 22.200 -7.299 22.181 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -10.356 -10.576 11.880 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -10.266 -11.306 12.490 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -10.556 -9.826 12.430 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 -21.674 -18.718 5.445 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 -22.254 -18.428 6.155 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 -20.794 -18.588 5.795 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -8.881 -11.958 14.649 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -9.431 -12.088 15.419 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -8.521 -11.078 14.759 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -17.592 -11.102 -16.187 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -17.622 -10.162 -15.987 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -17.672 -11.532 -15.337 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -16.722 -18.742 23.839 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -17.372 -19.012 24.489 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -15.922 -18.592 24.349 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 4.106 -4.626 -3.708 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.436 -4.986 -2.888 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 4.296 -5.296 -4.368 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.178 -9.757 -20.861 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.148 -10.097 -21.751 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.748 -8.907 -20.911 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 4.741 0.701 -18.457 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 5.651 0.611 -18.757 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 4.421 -0.199 -18.377 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -2.301 -6.999 14.401 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -2.771 -7.199 13.591 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -2.481 -6.069 14.561 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 -18.474 6.570 22.515 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 -18.734 7.420 22.885 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 -19.304 6.100 22.415 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 4.238 -22.075 -13.246 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 3.328 -21.765 -13.216 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 4.618 -21.625 -13.996 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 10.236 2.761 25.305 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 10.956 3.391 25.355 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 10.446 2.211 24.555 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 13.219 -12.279 20.249 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 13.699 -12.749 20.939 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 12.929 -11.469 20.669 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -13.890 23.513 0.452 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -13.700 22.973 -0.318 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -13.380 24.313 0.312 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -8.445 -2.818 -16.545 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -7.605 -2.858 -16.095 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -8.755 -1.918 -16.405 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -22.314 -15.422 24.575 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -21.774 -16.212 24.495 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -21.734 -14.782 24.985 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -12.029 4.642 -16.345 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -12.229 3.982 -15.675 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -12.709 5.302 -16.225 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -12.192 5.399 -20.165 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -11.702 5.509 -19.345 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -13.042 5.039 -19.885 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -21.925 6.151 13.616 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -22.265 5.771 12.806 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -21.425 5.431 14.026 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 -0.060 -10.090 14.492 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 -0.040 -10.890 15.012 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 0.770 -9.660 14.672 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -2.513 -6.750 0.099 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -3.073 -6.820 -0.661 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 -2.623 -5.850 0.399 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 4.501 3.112 13.542 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 4.471 2.712 14.412 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 3.631 3.502 13.432 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 -10.092 -11.453 -25.100 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 -10.632 -11.943 -24.480 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 -9.602 -12.123 -25.580 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 -1.393 -8.152 -17.663 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 -2.213 -8.572 -17.923 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 -1.383 -7.332 -18.163 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 -15.065 23.866 13.438 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 -15.815 24.366 13.128 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 -15.285 23.646 14.348 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 -16.115 24.651 -23.188 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 -17.035 24.661 -22.918 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 -15.755 23.861 -22.778 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -12.190 -7.395 -1.359 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -11.570 -7.215 -0.649 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -11.730 -8.005 -1.929 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 23.220 -11.095 20.816 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 22.680 -11.305 20.056 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 22.800 -10.335 21.206 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 11.965 -0.799 -2.424 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 11.575 -1.519 -2.904 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 12.255 -0.179 -3.094 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 18.454 22.964 7.957 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 18.874 22.124 8.107 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 19.174 23.604 7.997 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 17.196 21.186 -20.065 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 16.436 21.716 -20.335 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 17.016 20.966 -19.155 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 1.763 3.185 17.370 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 1.313 3.935 17.760 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 2.653 3.235 17.720 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.776 7.107 -7.837 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.606 7.637 -7.057 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -6.636 6.207 -7.557 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -19.035 24.683 17.044 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -19.125 25.613 16.874 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 -19.935 24.383 17.214 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 2.659 -0.474 14.573 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 3.099 -0.394 13.723 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 2.879 0.336 15.033 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -5.407 -0.090 -11.164 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -5.907 0.590 -10.714 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -5.787 -0.130 -12.034 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -3.446 -22.815 18.150 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -2.956 -22.665 17.330 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -4.286 -22.385 18.010 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 5.846 12.880 23.167 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 6.716 13.270 23.217 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 5.586 12.730 24.077 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -8.395 8.663 -16.673 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -7.995 7.923 -16.213 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -9.335 8.553 -16.523 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 13.109 -12.420 8.127 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 12.489 -12.110 8.787 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 13.089 -11.760 7.437 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 2.241 -15.372 10.681 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 2.921 -15.902 11.101 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 1.421 -15.722 11.021 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 9.441 11.630 19.461 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 10.131 12.060 19.971 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 8.661 12.160 19.611 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -8.154 -11.775 -1.645 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -8.174 -12.105 -0.745 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -7.764 -12.475 -2.155 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -7.433 3.564 -4.860 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -7.863 2.944 -4.280 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -6.493 3.434 -4.690 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 -2.134 -24.461 3.931 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 -2.214 -23.901 3.161 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 -2.064 -25.351 3.561 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -3.192 -0.908 -19.681 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -3.722 -0.908 -20.481 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -2.292 -0.778 -19.981 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 5.021 -8.725 -11.530 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 4.741 -9.565 -11.160 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 5.621 -8.965 -12.240 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 -18.242 -23.878 -7.935 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 -17.832 -24.738 -7.865 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 -19.172 -24.038 -7.775 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 11.060 -1.143 21.606 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 11.320 -0.393 21.066 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 11.880 -1.513 21.926 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 -4.672 -22.390 -3.528 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 -4.502 -22.030 -4.398 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 -4.662 -21.630 -2.948 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 15.261 14.913 9.140 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 15.821 15.633 8.860 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 14.771 15.263 9.890 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 15.090 -17.839 -24.704 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 14.550 -18.189 -24.004 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 15.120 -18.529 -25.364 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 -14.103 9.754 20.728 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 -14.753 9.394 20.128 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 -14.613 10.264 21.358 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 9.151 -1.234 9.914 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 9.141 -0.974 8.984 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 9.931 -0.794 10.264 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 -23.174 -16.544 20.806 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 -23.494 -16.524 21.706 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 -22.484 -15.884 20.786 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 12.970 -10.381 12.407 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 13.040 -9.471 12.097 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 13.370 -10.361 13.277 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 8.773 -12.430 0.239 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 9.423 -12.960 0.699 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 8.093 -13.060 -0.021 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 -13.121 0.907 -22.772 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 -14.011 0.847 -23.112 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 -12.871 1.817 -22.902 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 -19.006 -16.496 -4.278 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 -18.076 -16.656 -4.118 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 -19.306 -17.276 -4.748 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 11.204 20.420 -8.729 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 11.874 20.370 -8.049 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 10.464 19.930 -8.379 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -7.210 -7.838 18.800 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -7.480 -7.128 18.210 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -6.320 -8.048 18.530 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 20.876 2.478 -12.593 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 21.386 3.288 -12.493 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 20.486 2.538 -13.463 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 -23.479 5.439 -8.534 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 -22.739 4.839 -8.434 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 -23.879 5.469 -7.664 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 14.075 12.430 11.639 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 14.365 11.690 12.159 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 14.665 12.440 10.879 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 18.736 2.540 -25.054 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 18.776 2.960 -25.914 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 18.336 3.190 -24.484 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -25.105 -21.142 9.867 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -25.755 -21.582 10.407 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -24.645 -21.852 9.417 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 1.771 23.494 -12.091 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 1.831 22.554 -12.251 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 2.461 23.674 -11.441 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -5.572 -7.645 -11.130 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -5.902 -7.705 -10.230 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -4.882 -8.305 -11.180 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 -3.433 -14.717 22.112 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 -4.203 -15.267 21.992 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 -2.693 -15.327 22.132 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -22.600 5.105 4.745 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -21.690 5.085 5.045 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -22.760 6.025 4.535 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 17.804 -10.050 -20.188 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.914 -9.100 -20.278 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.924 -10.230 -20.538 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -3.421 -16.647 -23.291 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -4.091 -16.037 -23.591 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -3.911 -17.287 -22.761 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 -14.223 11.713 18.714 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 -14.203 12.643 18.494 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 -13.393 11.373 18.384 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 -24.671 -18.724 11.403 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 -25.071 -17.864 11.483 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 -25.141 -19.134 10.663 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 20.759 22.690 -16.178 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 20.919 23.550 -16.578 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 21.449 22.590 -15.528 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 -22.866 -3.799 3.339 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 -22.336 -3.959 4.109 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 -23.396 -3.029 3.559 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 15.581 7.795 -3.939 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 15.401 7.195 -4.659 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 15.711 8.645 -4.359 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -11.806 -11.021 -0.311 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -11.436 -11.751 -0.831 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -11.966 -10.331 -0.951 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 11.061 3.466 -5.893 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 11.991 3.686 -5.923 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.611 4.266 -6.143 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 3.597 -8.791 22.236 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 2.787 -9.281 22.326 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 3.547 -8.391 21.366 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -12.111 -9.655 24.951 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -11.281 -10.075 25.211 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -12.541 -10.295 24.381 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 18.614 -2.019 -20.847 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 19.334 -2.579 -20.567 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 18.364 -1.539 -20.057 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -17.627 -7.105 -24.641 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -16.747 -7.365 -24.391 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -17.497 -6.465 -25.351 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 -22.821 -10.031 -20.627 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 -22.681 -9.221 -21.117 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 -21.941 -10.341 -20.407 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 -12.753 15.639 -5.935 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 -13.303 16.289 -5.505 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 -13.373 14.979 -6.265 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 7.058 18.305 23.082 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 6.598 17.505 23.352 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 6.458 18.725 22.462 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 12.015 -17.112 -0.173 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 12.925 -17.352 0.007 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 11.955 -16.182 0.047 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 18.403 23.129 -18.950 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 18.093 22.629 -18.190 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 18.013 22.679 -19.700 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 -13.344 9.632 13.711 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 -12.494 9.522 13.271 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 -13.334 10.532 14.021 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 21.360 -19.186 20.611 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 20.770 -18.506 20.281 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 20.890 -19.576 21.351 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -23.197 -24.623 5.826 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -22.387 -24.143 5.706 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -23.097 -25.403 5.286 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -14.006 -0.496 -4.144 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -14.786 -1.026 -4.324 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -14.346 0.254 -3.644 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 21.758 13.208 -25.200 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 22.178 12.408 -25.510 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 21.818 13.148 -24.240 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -6.806 -13.259 2.917 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -6.906 -13.719 3.757 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -6.066 -12.669 3.057 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 -7.976 10.017 -10.905 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 -7.606 10.577 -10.225 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 -8.916 10.177 -10.865 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -7.579 23.690 -6.301 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -7.139 24.550 -6.281 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -7.279 23.290 -7.121 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -20.397 18.848 3.172 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -19.637 19.408 3.072 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -20.537 18.448 2.312 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 9.715 -4.597 -0.804 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 8.885 -4.817 -0.384 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 9.495 -4.407 -1.714 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -19.401 4.035 -1.881 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -20.191 3.535 -2.111 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -18.981 3.515 -1.201 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 14.759 -3.033 17.145 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 14.739 -2.103 16.905 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 13.899 -3.363 16.885 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 -2.891 -10.267 -5.535 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 -2.371 -10.977 -5.895 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 -2.571 -10.167 -4.635 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 8.067 18.918 7.969 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 8.437 18.288 8.589 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 8.737 19.598 7.889 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -3.440 10.790 19.352 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -2.890 10.220 19.892 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -3.810 11.420 19.962 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 -23.587 -2.385 20.726 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 -23.427 -2.405 21.666 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 -22.717 -2.435 20.326 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -8.337 -23.942 -8.528 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -7.517 -23.462 -8.628 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -8.167 -24.792 -8.938 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -9.952 -4.557 8.912 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -9.492 -5.397 8.902 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -9.652 -4.107 8.122 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 13.525 -12.715 24.361 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 13.565 -13.445 23.741 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 12.985 -12.065 23.931 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -13.338 -3.437 -13.751 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 -13.458 -3.257 -14.691 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 -12.409 -3.677 -13.681 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -17.689 -17.719 16.936 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -18.259 -17.069 16.526 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -17.059 -17.199 17.436 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 23.533 4.354 23.631 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.803 3.744 23.561 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 23.333 5.054 23.011 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 2.923 -18.947 -8.440 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 3.373 -18.137 -8.180 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 2.583 -18.767 -9.310 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 4.153 10.884 16.639 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 4.243 11.594 17.269 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 4.313 10.094 17.139 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -19.729 14.824 -21.294 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -20.159 15.664 -21.424 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -20.339 14.314 -20.754 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 -21.552 8.597 -15.035 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 -20.972 8.017 -15.535 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -22.402 8.157 -15.045 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -5.483 -18.472 -17.925 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -5.233 -19.042 -18.645 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -6.423 -18.602 -17.815 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 -16.310 -3.108 -1.331 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 -16.900 -2.358 -1.241 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 -16.650 -3.758 -0.711 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 -2.304 12.721 23.166 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 -2.214 13.571 22.756 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 -2.224 12.891 24.106 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.095 -19.177 12.156 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 9.465 -18.687 12.686 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 10.355 -19.917 12.716 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 8.086 -9.307 -21.164 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 8.816 -8.687 -21.104 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 7.946 -9.417 -22.104 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 3.658 -20.378 -6.079 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 4.448 -19.998 -5.709 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 3.408 -19.768 -6.779 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -20.424 2.143 7.784 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -21.174 2.573 8.204 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -19.724 2.783 7.854 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 8.420 -2.623 -23.939 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 9.360 -2.763 -24.049 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 8.310 -2.463 -22.999 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 8.466 -4.496 -4.724 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 7.666 -4.196 -4.284 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 8.906 -3.686 -4.974 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -24.923 -0.962 16.836 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -25.243 -0.072 16.656 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -24.453 -1.212 16.046 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -2.006 13.461 3.473 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -1.976 13.421 4.433 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -2.176 12.571 3.193 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 11.857 -23.569 23.295 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 10.937 -23.339 23.365 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 12.227 -23.379 24.155 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 -12.638 -23.584 -5.046 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 -11.689 -23.684 -4.986 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 -12.909 -23.334 -4.156 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 -22.431 22.301 12.355 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 -23.221 22.721 12.705 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 -22.741 21.451 12.025 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 -22.662 13.051 -6.498 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 -22.522 12.121 -6.638 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 -23.592 13.191 -6.678 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -9.479 -23.871 11.722 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -8.679 -23.351 11.722 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -9.309 -24.571 11.082 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 22.846 -3.313 -4.841 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 23.726 -3.513 -5.171 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 22.836 -3.633 -3.941 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 8.395 16.915 -23.294 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 9.315 16.945 -23.034 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 8.205 17.805 -23.594 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 -12.114 -19.673 12.812 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 -11.854 -19.493 11.912 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 -13.044 -19.873 12.762 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -5.473 7.493 8.631 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -5.673 6.563 8.681 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -6.293 7.933 8.851 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 4.244 -13.850 -2.815 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 3.294 -13.800 -2.795 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 4.544 -12.990 -2.515 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 -21.627 24.518 14.110 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 -20.967 25.148 13.840 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 -22.427 25.038 14.220 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -24.833 8.715 3.567 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -25.083 8.165 2.827 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -25.073 8.215 4.337 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.886 2.106 -18.504 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -4.816 2.106 -18.694 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.496 2.636 -19.204 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 6.435 0.184 -15.370 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 6.795 -0.096 -16.210 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 7.115 0.734 -14.990 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -22.517 -20.820 -1.472 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -22.277 -21.240 -2.292 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -21.757 -20.280 -1.252 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -23.000 1.123 -5.682 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -22.450 1.273 -4.922 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -23.800 0.723 -5.332 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 -13.027 6.844 -22.265 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 -12.607 6.124 -21.795 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 -13.967 6.694 -22.125 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 4.678 11.196 1.912 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 3.938 10.986 1.342 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 4.698 12.156 1.922 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 -23.722 -13.640 17.329 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 -24.102 -13.330 16.509 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 -23.022 -13.020 17.529 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 -9.113 -18.844 -3.703 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 -8.523 -18.184 -4.073 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 -8.843 -18.914 -2.783 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 16.300 -11.548 17.019 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 17.180 -11.168 16.999 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 15.800 -11.028 16.389 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 5.535 -18.803 -4.948 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 5.755 -18.293 -4.158 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 5.525 -18.153 -5.648 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 19.941 20.360 14.415 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 19.951 20.220 15.365 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 19.941 21.310 14.315 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 1.875 2.465 -13.721 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 1.495 1.645 -13.401 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 2.695 2.205 -14.131 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -20.561 -7.158 4.842 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -21.051 -6.428 5.202 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -21.031 -7.398 4.042 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 -24.083 12.985 -12.482 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 -23.143 12.835 -12.512 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 -24.233 13.415 -11.642 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 13.916 -0.396 20.411 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 13.966 -0.636 19.481 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 14.586 0.284 20.511 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 23.571 1.221 4.480 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 24.401 1.261 4.950 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 23.011 0.671 5.030 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 4.686 11.733 -6.888 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 4.596 10.913 -7.368 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 5.576 11.723 -6.538 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -7.005 11.685 -18.450 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -7.785 12.055 -18.030 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -6.655 11.065 -17.800 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -17.905 24.706 -2.021 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -18.825 24.806 -1.771 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.415 25.146 -1.331 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 22.143 -11.742 25.071 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 22.313 -10.812 24.951 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 22.853 -12.182 24.601 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 10.435 1.831 -3.974 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 10.745 2.321 -4.734 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 11.165 1.861 -3.354 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 15.340 5.950 -18.768 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 15.280 6.870 -18.508 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 16.220 5.680 -18.488 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -23.882 -7.092 19.815 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -24.152 -7.522 19.005 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -24.552 -7.342 20.455 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -13.201 -11.819 -16.553 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -12.791 -11.089 -16.083 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -13.931 -11.409 -17.023 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -24.137 5.223 -15.535 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -23.937 6.093 -15.215 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -25.077 5.243 -15.725 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 -14.904 22.582 19.909 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 -14.174 21.962 19.929 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 -15.264 22.552 20.789 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -4.314 -22.490 10.847 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -4.164 -22.390 9.907 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -3.884 -21.720 11.237 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -16.579 -17.035 -13.480 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -17.169 -16.745 -12.780 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -16.119 -17.785 -13.110 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 22.014 -21.309 -8.991 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 22.724 -20.829 -9.421 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 22.204 -21.239 -8.061 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -6.907 7.553 -14.778 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -6.407 7.163 -14.058 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -7.497 8.163 -14.338 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -1.472 -19.632 -2.409 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -0.722 -19.222 -2.819 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -1.602 -20.442 -2.899 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -15.322 -4.306 7.074 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -14.432 -4.326 7.434 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -15.272 -3.646 6.374 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 -24.281 -5.306 15.656 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 -24.621 -4.746 16.366 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 -24.711 -6.156 15.806 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 18.959 6.475 8.562 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 18.309 5.945 8.092 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 19.649 6.645 7.912 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 -17.499 1.188 5.539 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 -17.129 0.308 5.499 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 -18.099 1.158 6.289 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 -18.185 -6.307 1.901 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 -18.015 -6.587 2.801 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 -18.195 -5.347 1.951 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.574 23.622 6.991 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.844 23.002 6.321 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -16.234 24.322 6.971 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -14.815 -19.088 -0.019 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -15.325 -19.278 -0.809 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -15.475 -19.038 0.681 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 7.898 -6.661 0.309 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 7.868 -6.981 1.209 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 8.548 -7.221 -0.131 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 -0.973 23.394 3.663 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 -1.173 22.604 4.163 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 -1.083 23.124 2.743 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 0.474 12.965 -18.473 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 0.294 12.025 -18.473 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 -0.186 13.335 -17.883 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 11.625 11.731 -20.420 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 12.355 11.261 -20.010 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 11.875 12.651 -20.380 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 9.967 8.970 20.885 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 10.337 9.550 20.215 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 9.547 9.570 21.505 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 -18.399 -11.267 -6.925 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 -18.819 -10.547 -7.395 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 -18.949 -12.027 -7.125 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 10.521 20.330 16.849 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 10.251 21.230 17.059 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 11.141 20.100 17.539 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 13.547 24.370 -25.148 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 14.287 24.530 -24.578 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 13.697 24.930 -25.908 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 -15.335 -22.723 4.901 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 -15.335 -22.373 4.011 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 -14.845 -22.093 5.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 -19.036 -14.393 9.607 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 -19.166 -13.933 10.427 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 -18.586 -13.763 9.037 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -6.657 8.365 19.300 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -6.637 9.045 18.630 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -7.137 7.645 18.900 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 23.145 -11.718 6.941 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 23.315 -11.308 7.791 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 23.795 -11.318 6.361 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 20.994 -23.299 -17.055 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 20.174 -23.139 -16.585 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 21.674 -22.959 -16.475 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 23.675 24.440 -16.033 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 24.195 25.220 -15.803 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 23.485 24.550 -16.963 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -23.296 10.759 5.312 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -24.216 10.559 5.432 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -23.286 11.669 5.022 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 10.804 -19.900 -5.134 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 11.514 -19.960 -5.774 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 11.244 -19.890 -4.284 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -4.455 -21.428 8.163 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -3.555 -21.148 8.353 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -4.505 -21.448 7.213 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 -14.895 18.650 -22.780 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 -14.865 17.700 -22.880 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 -14.005 18.940 -22.960 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 6.851 -7.147 18.945 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 6.671 -6.687 19.765 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 6.881 -8.077 19.205 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 22.027 19.563 6.212 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 21.737 19.873 5.352 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 22.687 18.893 6.022 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 7.657 -16.679 -17.235 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 6.997 -17.349 -17.035 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 7.157 -15.939 -17.575 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 9.464 -1.991 -14.811 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 8.734 -1.661 -14.281 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 10.244 -1.741 -14.311 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -13.853 -24.055 15.679 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -13.923 -23.105 15.679 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -14.683 -24.355 16.059 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 12.977 8.025 -19.911 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 13.587 8.725 -19.711 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 12.387 8.405 -20.561 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 20.329 2.741 18.265 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 20.239 2.501 17.345 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 21.229 3.061 18.345 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 21.887 -15.024 -12.488 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 21.817 -15.974 -12.648 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 22.487 -14.954 -11.748 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 10.271 0.183 -17.001 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 10.341 -0.287 -16.171 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 11.121 0.063 -17.421 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 0.763 -3.259 -21.795 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 0.773 -3.099 -22.735 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 -0.167 -3.229 -21.555 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 16.346 20.593 19.632 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 16.046 20.513 18.722 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 16.666 21.493 19.712 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 5.949 7.772 22.740 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 5.269 7.802 22.060 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 6.019 6.852 22.970 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 12.105 -19.222 9.692 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 12.685 -19.842 9.252 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 12.025 -19.572 10.582 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 -22.042 -23.324 3.611 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 -22.712 -23.274 2.931 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 -21.762 -22.424 3.741 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 7.778 -11.904 -11.650 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 8.668 -11.994 -11.980 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 7.308 -11.444 -12.340 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 3.900 18.114 8.679 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 3.730 17.384 9.289 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 3.490 18.874 9.099 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 24.066 3.139 0.182 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 23.486 3.899 0.202 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 23.496 2.389 0.352 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 7.368 9.935 10.671 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 7.748 9.795 9.811 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 7.908 9.385 11.261 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 2.215 -14.378 22.142 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 2.855 -14.958 21.732 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 2.035 -13.708 21.472 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 3.918 23.726 -20.148 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 3.758 24.376 -20.828 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 3.978 22.896 -20.618 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 20.610 16.109 16.142 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 20.810 16.869 16.682 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 20.100 15.539 16.712 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 -2.465 10.490 1.939 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 -2.755 10.350 1.039 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 -1.515 10.570 1.869 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 4.159 -1.656 16.697 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 5.039 -1.406 16.417 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 3.569 -1.046 16.247 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -18.512 -15.139 4.027 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -18.902 -14.489 4.597 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -17.682 -14.739 3.737 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 18.089 6.663 -11.284 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 17.169 6.393 -11.374 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 18.479 5.983 -10.724 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 0.165 24.422 -8.661 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 -0.235 23.672 -9.091 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 0.725 24.822 -9.321 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 10.825 -11.836 -12.494 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 11.295 -12.626 -12.234 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 11.045 -11.716 -13.424 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -0.281 1.647 10.459 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -0.891 2.057 11.079 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -0.831 1.367 9.729 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 20.226 -18.761 16.575 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 19.746 -19.331 15.985 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 21.146 -19.021 16.465 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 24.706 10.260 0.781 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 24.836 9.990 -0.129 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 25.136 9.580 1.301 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -22.731 19.260 9.634 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -22.681 20.160 9.314 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -22.191 18.760 9.014 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 -6.849 23.222 20.469 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 -7.109 22.432 20.949 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 -6.589 23.832 21.159 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 -17.103 6.711 -0.979 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 -18.033 6.501 -0.959 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 -16.703 6.011 -1.499 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 -6.411 -3.409 -11.134 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 -6.021 -4.249 -11.374 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 -6.331 -3.369 -10.184 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 -14.846 -4.701 11.861 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 -15.646 -4.521 11.381 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 -14.246 -5.051 11.211 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 20.934 18.609 10.109 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 21.294 17.899 9.579 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 21.564 18.719 10.829 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 23.020 13.850 15.948 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 23.960 13.970 16.078 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 22.720 14.710 15.658 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -6.555 -3.696 1.900 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -7.375 -3.426 2.330 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -6.045 -4.106 2.600 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 -0.862 -13.088 -19.691 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 -1.192 -12.848 -20.551 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 -1.612 -12.948 -19.111 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 19.919 6.336 11.272 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 20.859 6.226 11.112 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 19.529 6.286 10.402 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 25.159 21.511 17.813 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 24.539 22.091 17.373 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 25.509 20.961 17.113 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 13.418 19.906 0.821 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 13.268 19.606 -0.079 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 13.038 19.216 1.361 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -24.161 1.385 14.743 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -24.471 0.655 14.193 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -23.211 1.405 14.593 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 -16.825 8.793 23.056 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 -15.885 8.623 23.086 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 -16.945 9.383 22.316 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 6.307 -5.952 21.481 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 5.707 -6.552 21.931 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 6.957 -5.722 22.141 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 12.416 15.489 7.914 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 13.316 15.799 7.894 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 12.456 14.609 7.534 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -12.535 9.431 -9.157 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -11.745 9.471 -9.677 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -12.235 9.211 -8.277 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 13.689 -1.584 14.921 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 14.089 -2.354 14.501 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 12.969 -1.954 15.431 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 -22.812 19.671 13.001 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 -23.662 19.331 12.741 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 -22.342 18.911 13.361 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 14.798 14.939 -23.208 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 15.148 14.469 -23.958 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 15.568 15.229 -22.718 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -18.506 17.733 10.654 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -18.406 16.863 11.054 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -18.316 18.343 11.374 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 -13.324 -1.979 -22.138 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 -13.694 -1.239 -21.658 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 -13.784 -1.989 -22.968 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 10.241 10.022 11.468 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 10.641 9.152 11.418 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 10.521 10.362 12.318 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 4.464 18.405 -22.265 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 3.684 18.935 -22.065 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 4.554 18.475 -23.215 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 -17.380 3.529 14.999 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 -18.070 3.059 14.529 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 -17.830 3.889 15.759 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 -2.161 -5.701 -10.403 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 -3.081 -5.921 -10.543 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 -1.771 -5.761 -11.273 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 -24.267 24.611 8.702 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 -24.387 23.721 8.372 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 -23.677 24.511 9.452 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 -20.806 8.288 -0.798 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 -20.446 7.578 -1.328 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 -20.066 8.578 -0.258 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 9.886 -18.670 1.065 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 9.806 -17.720 1.115 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 9.956 -18.860 0.125 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 -12.333 2.226 22.586 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 -13.083 1.656 22.416 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 -12.713 3.106 22.686 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -13.311 -12.007 2.616 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -12.941 -12.717 3.146 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -13.641 -12.437 1.826 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 17.030 11.135 -18.631 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 16.770 11.225 -17.711 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 16.770 11.965 -19.031 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 2.799 -10.798 16.184 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 2.629 -10.658 15.244 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 3.059 -11.718 16.234 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -1.955 2.076 18.689 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -1.925 1.196 18.299 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -1.865 1.926 19.629 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 11.556 23.659 -13.162 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 11.556 23.239 -12.302 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 12.406 24.099 -13.202 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -9.896 24.105 -10.689 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -10.186 23.465 -11.339 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -9.836 24.935 -11.169 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 6.395 -0.231 -7.419 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 5.685 -0.771 -7.769 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 7.165 -0.781 -7.469 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 2.414 0.594 -3.965 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 3.364 0.474 -3.925 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 2.114 -0.066 -4.585 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 -3.224 11.332 -16.173 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 -3.684 11.972 -15.633 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 -3.634 10.492 -15.963 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -25.265 22.219 -17.102 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -25.005 23.099 -17.352 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -24.455 21.709 -17.152 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 12.975 -11.410 -14.439 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 13.265 -12.190 -13.959 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 12.265 -11.720 -14.999 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 -21.221 -8.757 19.655 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 -21.881 -8.967 20.315 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 -20.991 -7.837 19.825 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -9.767 -16.469 -19.158 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -9.587 -15.539 -19.018 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -8.957 -16.919 -18.918 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 10.991 -18.364 7.481 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 10.271 -18.984 7.511 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 11.551 -18.604 8.211 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.015 -20.018 13.831 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 6.545 -19.188 13.801 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 6.775 -20.398 14.671 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 -0.739 -11.741 17.143 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 -0.319 -12.601 17.143 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 -1.359 -11.781 17.873 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 -24.013 -2.644 -17.031 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 -23.733 -3.314 -16.401 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 -23.433 -1.904 -16.881 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 23.886 -14.874 17.059 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 24.756 -15.144 16.749 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 23.876 -15.134 17.979 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 2.980 -15.908 -18.179 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 2.180 -15.698 -17.689 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 2.930 -15.348 -18.959 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 2.319 15.654 3.137 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 1.509 15.344 2.717 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 2.979 15.014 2.867 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 -11.142 5.048 -8.929 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 -10.492 4.718 -8.329 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 -11.382 4.298 -9.479 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 -11.065 -24.093 -18.138 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 -11.875 -24.443 -18.508 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 -10.365 -24.443 -18.698 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 13.787 6.739 7.515 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 13.297 6.249 6.855 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 13.897 6.119 8.235 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 11.314 16.921 -3.162 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 10.974 17.531 -2.502 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 11.424 17.451 -3.952 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -21.093 -2.765 -11.886 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -21.313 -3.685 -11.986 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -21.033 -2.625 -10.936 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -19.445 -10.891 -18.165 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -18.755 -11.521 -17.995 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -19.895 -11.231 -18.935 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -22.764 -1.275 23.452 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -22.664 -1.345 24.392 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -23.084 -0.385 23.312 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 19.180 9.005 -15.771 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 19.540 9.735 -16.271 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 18.820 9.415 -14.971 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -18.241 -22.616 -21.176 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -18.281 -23.436 -20.686 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -19.041 -22.606 -21.706 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -5.530 15.272 -0.167 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.780 15.182 0.753 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -6.370 15.352 -0.637 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 -8.683 -21.259 -11.948 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 -9.253 -20.529 -11.728 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 -7.953 -20.859 -12.428 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -6.605 -23.492 24.266 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -5.915 -23.952 24.746 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -6.515 -23.792 23.366 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -13.866 -12.333 13.852 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -13.776 -13.243 14.142 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -13.236 -12.233 13.142 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 8.924 -4.856 15.855 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 8.404 -5.536 16.285 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 9.164 -4.246 16.555 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 3.966 -13.390 10.826 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 4.486 -14.110 11.186 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 3.056 -13.660 10.986 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 4.799 -10.137 -17.841 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.739 -10.267 -17.961 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 4.679 -9.187 -17.911 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 15.241 18.531 13.972 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 16.061 18.131 14.272 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 15.461 18.911 13.112 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -22.301 -6.495 3.008 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -22.731 -5.685 2.728 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -21.541 -6.565 2.428 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 -3.011 14.339 -23.305 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 -3.731 13.879 -23.735 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 -2.901 15.139 -23.825 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 22.198 -16.698 -21.965 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 21.568 -17.068 -22.575 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 22.278 -17.358 -21.275 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 15.839 -0.818 22.965 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 15.469 -0.828 22.085 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 15.989 0.112 23.155 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -3.625 13.327 13.959 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -3.285 13.987 14.569 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -2.995 13.327 13.239 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 13.680 15.987 -0.321 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 14.590 15.697 -0.301 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 13.730 16.927 -0.531 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -2.367 16.241 24.416 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -1.507 15.951 24.126 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -2.187 16.941 25.046 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 -20.644 20.802 -11.367 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 -21.414 20.572 -11.897 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 -20.704 21.752 -11.277 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 14.344 -16.027 23.205 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 14.734 -16.857 23.505 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 13.794 -16.277 22.465 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 6.896 7.504 16.019 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 7.736 7.934 16.199 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 6.466 7.454 16.869 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 -13.170 16.459 -12.668 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 -13.220 17.169 -12.028 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -12.250 16.199 -12.668 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 -21.275 14.714 17.779 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 -20.675 15.044 17.109 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 -21.285 13.764 17.649 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 14.014 18.472 -1.663 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 14.314 17.792 -2.263 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 13.064 18.392 -1.653 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 18.271 21.152 -14.138 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 19.201 21.052 -14.308 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 18.071 20.522 -13.448 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 -15.950 -15.504 -0.798 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 -15.240 -15.864 -0.268 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 -15.830 -14.554 -0.748 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 14.781 23.790 -18.454 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 15.071 23.430 -19.294 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 13.941 24.220 -18.654 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 10.445 -19.739 23.440 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 10.455 -19.419 22.540 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 11.055 -20.479 23.440 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -12.746 -21.628 -14.305 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -12.576 -22.438 -13.815 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -13.646 -21.718 -14.605 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 9.117 -12.608 -8.925 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 8.887 -12.268 -9.785 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 8.277 -12.808 -8.515 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -15.527 19.423 -20.030 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -15.887 18.533 -19.950 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -15.127 19.433 -20.900 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 0.897 10.771 6.276 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 1.317 10.921 5.426 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 -0.043 10.811 6.086 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 1.704 13.657 13.409 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 1.084 14.207 12.949 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 1.874 14.117 14.229 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 -11.676 -12.643 -10.734 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 -11.626 -12.433 -9.794 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 -10.856 -13.103 -10.924 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -4.887 10.472 16.529 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -5.017 9.712 17.089 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -4.797 10.112 15.649 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 12.206 -17.378 -25.155 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 13.016 -17.048 -24.765 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 11.846 -16.618 -25.615 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 -1.730 -2.085 -15.711 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 -2.500 -2.155 -16.271 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 -1.750 -1.195 -15.381 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -1.485 3.404 -22.954 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -1.815 4.124 -23.484 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -0.615 3.234 -23.314 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -9.909 -20.869 19.624 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -10.399 -21.579 19.224 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -9.119 -21.279 19.974 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -21.162 -12.425 7.256 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -21.602 -12.475 8.106 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -21.442 -11.595 6.886 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -13.609 -14.758 9.199 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -13.939 -13.888 9.429 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -14.269 -15.358 9.529 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 7.391 8.529 -14.493 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 8.221 8.469 -14.953 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 7.381 7.789 -13.893 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 -4.084 13.520 5.688 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 -4.064 12.850 5.008 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 -4.884 13.330 6.188 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 -13.125 20.900 -1.028 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 -13.255 21.180 -1.928 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 -12.355 20.320 -1.068 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 -3.824 -0.987 -17.156 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 -3.524 -1.177 -18.046 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 -4.634 -0.497 -17.276 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 18.456 -11.428 -18.175 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 17.696 -11.388 -17.585 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 18.176 -10.948 -18.955 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 22.849 18.803 23.730 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 23.019 17.963 24.170 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 23.599 18.933 23.160 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 20.685 -19.697 2.452 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 19.835 -19.967 2.792 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 21.295 -19.847 3.172 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -1.803 12.802 -10.434 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -0.953 12.362 -10.444 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -2.113 12.742 -11.334 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 -20.405 0.596 -18.258 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 -20.365 -0.324 -17.988 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 -19.505 0.806 -18.508 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 3.699 -11.235 24.299 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 3.629 -10.455 23.749 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 2.849 -11.315 24.729 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 10.366 6.729 -21.058 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 10.826 7.239 -21.718 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 9.896 7.389 -20.538 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 4.278 -23.341 21.276 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 5.048 -23.881 21.446 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 3.948 -23.121 22.146 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -12.023 0.932 -1.435 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -11.413 1.672 -1.495 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -11.893 0.452 -2.245 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 9.373 21.392 13.706 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 9.303 20.982 14.566 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 10.113 20.962 13.296 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 13.745 19.424 -24.915 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 13.325 20.274 -24.795 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 13.035 18.794 -24.795 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 9.757 -19.315 -8.705 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 9.837 -19.455 -7.755 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 10.237 -20.035 -9.095 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 -7.823 -0.412 6.796 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 -7.833 -0.512 5.836 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 -7.063 0.138 6.966 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 21.796 13.275 -15.131 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 22.716 13.005 -15.161 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 21.476 12.955 -14.281 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.951 3.712 -22.368 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -14.561 4.152 -23.128 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -15.061 2.802 -22.658 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -3.810 -15.509 3.422 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -3.510 -14.849 2.802 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -4.570 -15.909 2.992 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 5.746 -5.737 -15.888 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 5.786 -6.687 -15.958 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 4.896 -5.507 -16.248 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 23.769 -24.464 23.129 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 24.549 -24.924 22.849 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 23.149 -25.164 23.359 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 -6.312 -4.999 -16.822 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 -6.362 -5.959 -16.832 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 -5.452 -4.809 -16.442 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -13.105 22.744 11.977 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -12.975 23.434 11.327 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -13.685 23.124 12.627 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 11.885 -0.207 9.628 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 12.255 0.653 9.418 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 12.195 -0.377 10.518 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 8.735 -16.845 -20.768 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 7.965 -16.285 -20.838 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 8.785 -17.085 -19.838 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 23.736 10.708 -19.131 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 24.316 11.458 -19.211 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 22.986 11.038 -18.641 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 7.314 6.066 -7.234 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 6.404 5.766 -7.284 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 7.294 6.936 -7.644 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 -18.196 2.272 -0.219 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 -18.966 2.352 0.331 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 -17.466 2.542 0.331 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 8.639 21.734 -12.461 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 9.289 22.314 -12.061 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 8.589 22.014 -13.371 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 6.289 7.435 -17.481 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 6.449 7.125 -16.591 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 5.369 7.685 -17.481 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -11.536 -19.887 22.439 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -10.996 -20.327 21.779 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -11.216 -20.227 23.269 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 -24.325 -18.298 -17.536 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 -23.755 -18.568 -16.806 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 -25.205 -18.288 -17.156 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 -4.835 14.410 -6.111 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 -5.515 15.090 -6.071 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 -4.865 14.100 -7.011 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 -10.062 -1.890 -0.272 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 -9.112 -1.740 -0.372 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 -10.382 -2.020 -1.162 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 24.134 16.523 -23.657 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 23.614 16.273 -22.887 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 23.514 16.513 -24.377 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -13.946 5.235 20.940 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -14.096 5.115 21.880 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -14.676 4.795 20.520 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 13.196 7.480 19.271 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 13.036 8.210 19.871 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 14.046 7.680 18.871 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 -8.201 -10.610 -19.944 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 -8.021 -9.670 -19.884 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 -7.541 -11.020 -19.384 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -7.813 10.172 4.111 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -8.153 10.072 3.221 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -8.233 10.962 4.451 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 0.126 -5.784 -18.702 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 0.016 -5.784 -19.652 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 1.006 -5.444 -18.562 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 12.008 5.792 5.591 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.948 4.932 5.161 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.288 5.792 6.221 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 0.178 11.689 -7.498 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 0.438 12.499 -7.918 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -0.702 11.519 -7.818 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -11.115 -10.308 21.451 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.815 -10.088 20.841 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -10.345 -9.858 21.101 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -1.961 18.619 -6.278 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -2.201 18.169 -5.468 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -1.511 19.419 -5.988 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -11.065 -7.683 1.366 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -11.565 -7.343 2.106 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -10.985 -8.623 1.536 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 12.641 13.018 -14.326 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 12.081 12.238 -14.326 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 12.041 13.728 -14.086 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 11.276 18.539 8.207 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 11.896 18.659 8.937 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 11.306 17.599 8.027 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 -1.253 4.135 9.157 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 -1.363 4.805 9.837 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 -0.483 3.635 9.437 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -14.148 6.512 12.889 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -14.079 5.592 12.659 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -15.069 6.622 13.149 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 -20.937 -21.028 -19.365 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 -21.307 -21.878 -19.595 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 -19.997 -21.158 -19.385 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 13.574 -18.015 16.017 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 12.864 -18.465 16.467 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 13.124 -17.435 15.397 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 -5.709 -24.699 -6.303 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 -5.069 -25.379 -6.543 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 -5.698 -24.089 -7.033 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 18.877 14.638 -4.671 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 18.677 14.978 -3.801 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 19.037 13.698 -4.521 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -15.163 -9.694 22.385 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -14.333 -9.204 22.405 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -15.833 -9.034 22.495 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 0.470 -22.766 -11.266 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 0.700 -23.646 -10.976 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 -0.240 -22.906 -11.896 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 2.613 15.868 -22.898 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 3.293 16.038 -22.248 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 2.693 14.928 -23.098 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 -19.567 -5.405 21.963 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 -20.277 -5.585 22.583 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 -19.367 -4.475 22.073 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -10.081 8.345 -24.725 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -10.121 8.345 -25.685 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -9.771 9.215 -24.495 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 -3.177 14.180 0.384 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 -3.517 14.060 1.274 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 -3.937 14.470 -0.126 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 15.057 4.498 22.909 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 14.127 4.568 23.109 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 15.177 5.058 22.149 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.206 -20.364 9.792 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 9.686 -21.184 9.892 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.516 -19.814 10.512 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 22.377 -12.907 18.449 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 23.037 -13.457 18.039 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 21.927 -12.477 17.719 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 9.326 -11.875 -21.421 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 9.276 -11.975 -22.371 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 8.726 -11.145 -21.231 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 -1.510 10.864 -21.068 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 -1.640 10.734 -20.138 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 -2.030 11.644 -21.278 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 13.561 -23.987 7.806 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 13.591 -23.027 7.906 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 13.641 -24.127 6.866 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 21.004 24.121 -4.591 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 20.164 24.301 -4.181 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 21.404 23.451 -4.031 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 -19.226 -24.290 3.729 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -20.156 -24.520 3.749 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 -18.876 -24.800 2.999 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 -6.942 -9.303 22.361 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 -7.612 -9.453 23.031 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 -7.442 -9.103 21.571 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 22.486 -4.148 5.485 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 23.206 -4.358 6.075 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 21.766 -3.888 6.065 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -12.133 -12.800 -18.991 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -12.643 -12.950 -18.201 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -11.463 -12.170 -18.731 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 4.438 -11.018 -22.745 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 3.638 -11.478 -22.485 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 4.258 -10.098 -22.525 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 -8.762 23.393 -3.905 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 -8.102 23.113 -4.535 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 -9.502 23.683 -4.445 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 16.569 14.162 0.731 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 16.879 14.242 -0.169 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 17.019 14.862 1.201 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.001 -23.647 -7.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 0.879 -23.297 -7.405 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 -0.031 -24.427 -7.825 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 1.616 -0.223 9.392 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 1.856 0.517 8.832 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 1.246 0.187 10.172 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 -4.806 22.560 2.282 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 -4.326 23.390 2.222 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 -4.176 21.900 1.992 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 -21.796 0.420 0.731 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 -22.256 0.310 -0.099 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 -21.346 1.270 0.651 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 -5.733 -0.487 24.860 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 -6.593 -0.517 24.430 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 -5.543 -1.387 25.100 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 20.831 -2.731 3.326 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 20.601 -3.051 4.206 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 20.292 -3.261 2.736 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -3.316 -18.423 7.330 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -3.456 -18.573 6.400 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -4.196 -18.403 7.700 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 -18.756 -0.861 -0.617 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 -19.426 -0.951 -1.297 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 -18.626 0.089 -0.537 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 20.113 9.845 -7.158 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 20.723 9.605 -6.458 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 20.663 9.935 -7.938 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 9.647 4.471 11.037 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 9.627 4.801 11.937 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 8.997 3.781 11.017 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 -22.355 20.882 4.240 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 -21.615 20.272 4.180 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 -22.055 21.662 3.760 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 -1.941 5.765 -20.220 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 -1.101 5.815 -20.680 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 -1.761 5.185 -19.480 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 17.523 -4.747 -5.538 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 18.343 -4.907 -5.078 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 17.213 -3.907 -5.218 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 18.046 -1.661 24.922 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 18.966 -1.421 24.822 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 17.616 -1.261 24.162 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 -24.271 15.935 9.881 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 -24.961 16.255 9.311 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 -24.721 15.395 10.541 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -21.743 -6.169 -5.053 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -22.053 -5.399 -5.523 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -22.103 -6.089 -4.173 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 7.381 17.648 -20.258 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 8.151 18.048 -20.668 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 7.681 16.778 -19.998 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 -6.242 -17.538 -9.730 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 -6.842 -17.158 -10.360 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 -6.132 -18.448 -10.020 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 20.443 -5.550 -7.450 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 21.323 -5.430 -7.810 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 20.593 -5.830 -6.540 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -21.137 16.367 20.742 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -20.817 15.507 20.482 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -20.707 16.537 21.582 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 -24.069 -24.347 21.741 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 -24.149 -25.057 21.101 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 -24.119 -23.547 21.221 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 -25.006 2.432 2.591 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 -25.916 2.162 2.441 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 -24.686 2.692 1.721 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 -22.148 -5.691 -12.480 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 -21.999 -6.481 -11.970 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 -22.549 -6.001 -13.290 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 20.075 5.140 -25.241 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 20.615 4.360 -25.161 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 20.635 5.850 -24.921 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 -6.725 11.813 24.717 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 -6.075 12.273 25.257 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 -6.455 10.903 24.737 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 -18.950 4.057 -23.958 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 -19.690 3.757 -23.438 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 -18.980 3.537 -24.758 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 24.381 16.236 -18.495 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 25.041 15.996 -19.145 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 23.891 15.426 -18.345 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -5.225 -2.684 -8.438 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -4.495 -2.064 -8.398 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -5.835 -2.374 -7.768 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 -22.839 -16.797 -19.495 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 -23.259 -17.527 -19.055 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 -22.399 -17.187 -20.245 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 14.184 -19.685 -17.845 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 13.534 -20.035 -17.235 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 14.044 -18.735 -17.835 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 -9.072 7.511 13.729 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 -8.852 7.101 12.889 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 -9.992 7.321 13.859 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 13.500 4.402 16.307 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 13.070 4.892 15.607 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 12.780 4.142 16.897 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 16.701 9.547 -25.041 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 15.991 9.897 -25.591 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 17.201 10.327 -24.781 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 5.035 19.128 -24.881 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 4.965 18.638 -25.701 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 4.795 20.028 -25.111 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 -14.262 1.686 -19.996 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 -13.372 1.346 -20.116 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 -14.802 1.116 -20.546 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 19.539 3.300 7.344 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 20.349 3.500 7.814 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 19.809 3.170 6.444 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -2.924 -16.145 -20.019 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -2.094 -16.575 -20.239 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -2.764 -15.725 -19.179 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 9.864 -5.272 24.971 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 10.284 -5.532 24.151 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 10.444 -4.592 25.321 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -22.805 17.039 -13.414 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -22.595 16.309 -14.004 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -22.755 16.649 -12.534 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 -23.593 -0.803 -20.858 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -23.743 -1.403 -21.588 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -24.093 -1.173 -20.128 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 -2.159 -1.098 0.767 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 -2.849 -1.108 0.107 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 -1.989 -0.168 0.927 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 11.010 22.995 -1.894 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 11.810 23.525 -1.804 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 10.920 22.865 -2.834 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 18.615 19.250 12.159 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 19.165 19.260 12.929 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 19.225 19.230 11.419 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 23.813 9.477 -14.965 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 24.553 10.067 -15.105 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 23.383 9.807 -14.185 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 -14.677 -20.696 23.656 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 -13.967 -20.056 23.756 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 -15.427 -20.276 24.086 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 3.597 -7.963 -24.064 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 4.107 -8.493 -24.674 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 4.237 -7.693 -23.394 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 15.743 -5.581 16.590 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 15.503 -4.671 16.730 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 15.523 -5.751 15.680 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -3.733 8.414 11.582 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -3.013 8.884 11.172 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -3.723 7.554 11.152 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -19.980 -0.801 24.676 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -20.860 -1.001 24.366 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -19.460 -1.571 24.446 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -18.253 1.640 -21.645 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -18.003 2.470 -21.255 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -19.163 1.510 -21.385 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 -10.717 15.401 -8.204 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 -10.297 14.621 -8.554 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 -10.307 15.521 -7.344 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 9.680 -1.357 14.876 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 10.320 -1.737 15.476 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 9.350 -2.107 14.376 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -13.724 -16.276 16.392 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -14.324 -16.256 17.142 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -12.894 -15.956 16.752 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -3.996 -3.883 -20.269 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -3.636 -3.203 -19.699 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -4.046 -4.653 -19.719 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 5.425 -23.440 -16.465 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 4.535 -23.110 -16.375 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 5.415 -24.280 -16.005 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 -22.850 -0.269 -16.658 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 -22.290 0.491 -16.818 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 -23.580 0.071 -16.148 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 5.816 -3.854 -24.953 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 5.286 -3.084 -25.163 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 6.566 -3.514 -24.463 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 -14.587 12.620 -1.015 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 -15.407 13.050 -0.785 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 -14.797 11.680 -1.005 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 24.746 -24.237 -22.897 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 25.006 -23.327 -22.777 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 23.976 -24.347 -22.337 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -21.251 18.661 -18.013 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -22.111 18.981 -18.303 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -20.671 19.421 -18.103 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 22.753 1.581 -23.841 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 23.283 0.811 -24.041 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 23.393 2.281 -23.691 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 5.248 21.308 13.805 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 4.408 21.778 13.805 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 5.008 20.408 13.575 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 18.220 -11.138 -14.633 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 18.530 -11.398 -13.763 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 18.660 -10.308 -14.803 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 6.613 -1.909 -1.484 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 7.003 -1.219 -0.944 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 5.753 -2.059 -1.094 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 12.484 -23.528 13.933 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 12.364 -24.178 14.623 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 12.774 -24.028 13.173 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 10.884 24.678 15.453 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 10.034 25.038 15.213 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 11.094 24.068 14.743 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 0.218 -0.142 -10.799 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -0.132 -0.382 -11.649 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -0.542 -0.132 -10.219 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 -1.527 24.100 12.047 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 -1.077 24.320 11.237 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 -1.007 23.390 12.427 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 24.398 -1.728 19.215 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 24.968 -2.468 19.425 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 24.788 -1.358 18.425 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 5.538 12.241 -14.904 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 4.748 12.481 -14.414 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 6.228 12.201 -14.244 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -6.889 20.442 -4.183 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -6.409 20.382 -5.003 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -7.549 21.122 -4.343 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 10.066 16.415 20.036 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 11.026 16.395 19.986 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 9.776 16.175 19.156 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 -18.810 24.316 1.785 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 -18.920 24.576 0.875 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 -17.980 23.836 1.795 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 24.621 8.626 -6.838 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 24.601 7.966 -7.528 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 23.941 9.256 -7.078 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 -15.349 1.698 -17.299 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 -15.379 0.948 -16.719 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 -15.289 1.318 -18.179 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 20.131 21.962 -11.202 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 20.401 21.412 -11.942 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 20.601 21.602 -10.452 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 22.630 8.265 -23.248 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 21.730 7.965 -23.398 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 23.140 7.465 -23.158 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -10.625 17.047 0.320 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -10.505 16.177 0.700 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -10.735 17.627 1.070 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 14.234 16.042 -3.989 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 13.334 15.882 -3.729 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 14.334 15.582 -4.819 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 16.166 -21.837 23.572 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 17.076 -21.587 23.402 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 15.796 -21.117 24.082 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 20.011 2.406 0.597 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 20.451 2.046 -0.163 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 20.141 1.756 1.287 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 12.560 8.404 -6.259 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 13.210 8.154 -5.599 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 11.730 8.104 -5.889 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 0.388 -19.069 -4.411 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 0.918 -18.269 -4.401 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 0.838 -19.649 -5.021 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -1.141 16.124 -4.716 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -0.981 15.644 -3.906 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -1.061 17.044 -4.476 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 13.895 19.315 -13.288 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 14.045 19.085 -14.208 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 14.065 20.255 -13.248 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -12.816 -12.096 -21.432 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -13.016 -12.496 -20.582 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -12.506 -11.216 -21.222 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 -22.016 -15.341 13.202 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 -22.126 -14.891 14.042 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 -21.146 -15.741 13.252 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 6.089 -22.383 -0.036 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 5.799 -22.983 -0.716 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 6.119 -21.523 -0.466 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -16.919 14.588 -10.726 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -16.079 14.278 -11.056 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -16.989 15.488 -11.036 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -20.625 12.392 -9.408 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -21.415 12.452 -8.878 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -20.815 12.922 -10.188 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 7.195 23.093 13.229 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 7.955 22.563 13.459 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 6.445 22.563 13.519 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 0.005 15.483 11.846 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 0.625 15.673 11.146 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 -0.575 16.243 11.866 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 16.006 11.855 -21.478 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 16.766 12.395 -21.708 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 15.526 11.745 -22.298 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 16.230 16.514 -14.338 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 16.760 16.114 -15.028 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 16.110 15.824 -13.688 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 4.301 -2.311 21.282 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 4.341 -1.411 20.952 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 5.221 -2.571 21.372 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 -10.027 -8.101 20.116 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 -9.177 -7.711 20.296 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 -10.607 -7.361 19.956 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 21.475 18.142 17.819 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 21.985 17.712 18.509 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 20.785 18.602 18.299 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 15.694 -7.929 -3.065 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 16.504 -7.739 -3.535 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 15.924 -8.669 -2.495 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 -3.783 -9.892 10.162 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 -3.863 -10.812 9.912 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 -3.223 -9.902 10.942 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 -23.236 12.609 -21.761 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 -22.546 12.849 -22.391 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 -23.346 11.669 -21.881 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 21.165 -10.431 1.422 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 21.915 -10.981 1.182 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 21.245 -9.671 0.852 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 17.654 19.523 -7.373 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 17.844 18.703 -7.823 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 16.854 19.853 -7.793 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 14.980 10.031 -16.492 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 15.030 10.971 -16.332 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 14.060 9.871 -16.702 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 7.551 -12.579 -17.951 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 7.181 -12.179 -18.741 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 7.221 -13.479 -17.961 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 -2.842 -13.858 10.032 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 -3.322 -13.498 9.292 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 -2.032 -13.358 10.062 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 18.497 20.398 -5.141 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 18.107 19.998 -5.921 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 19.017 21.128 -5.491 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 14.778 -20.565 -14.469 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 15.508 -21.185 -14.429 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 15.188 -19.705 -14.439 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 -20.521 3.376 11.965 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 -19.971 4.156 11.975 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 -20.131 2.796 12.625 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -7.861 -5.450 -22.676 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -7.361 -4.670 -22.426 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -7.701 -6.080 -21.966 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 15.179 10.765 -3.941 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 14.479 10.815 -3.281 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 15.869 11.325 -3.601 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -0.059 20.722 21.959 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -0.059 21.632 22.239 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -0.459 20.232 22.679 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -20.709 3.893 -16.518 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -21.189 3.303 -17.108 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -21.219 3.903 -15.718 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 -13.627 21.353 -3.987 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 -13.847 22.283 -3.967 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 -13.267 21.213 -4.867 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -13.055 13.365 -19.848 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -12.335 13.525 -20.448 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -13.615 12.725 -20.298 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 -7.692 19.106 20.266 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 -7.262 18.636 19.546 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 -8.032 18.416 20.836 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 16.684 -11.034 6.925 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 16.744 -11.714 6.255 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 17.434 -11.204 7.505 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 -18.112 -13.040 -19.770 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 -17.572 -13.470 -19.110 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 -17.692 -13.260 -20.610 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 17.779 -23.751 -2.679 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 16.919 -23.451 -2.379 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 17.699 -24.701 -2.749 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 4.316 -24.316 -12.061 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 4.356 -24.276 -13.011 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 4.066 -23.426 -11.801 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -12.715 20.584 -12.871 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -13.025 19.864 -13.421 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -13.275 21.324 -13.101 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 14.245 17.545 17.542 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 14.715 18.325 17.242 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 13.395 17.595 17.102 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 16.528 -19.024 9.156 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 16.908 -19.424 9.936 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 16.158 -18.204 9.476 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 -1.582 16.480 -19.915 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 -1.082 16.270 -19.125 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 -2.422 16.790 -19.595 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 14.927 6.073 4.238 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 15.117 5.303 4.768 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 13.977 6.063 4.128 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 5.835 23.826 -6.042 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 5.345 24.186 -6.782 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 6.425 24.536 -5.772 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 10.870 -23.822 -13.031 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 11.470 -23.092 -13.201 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 11.410 -24.462 -12.571 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -15.904 -24.282 11.791 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -16.624 -23.682 11.571 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -15.924 -24.942 11.091 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 -25.239 -0.794 -18.805 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -24.539 -0.274 -18.405 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 -25.259 -1.604 -18.295 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -23.265 2.218 -0.648 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -23.365 2.428 0.272 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -23.565 2.998 -1.108 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 22.492 -10.938 12.031 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 22.111 -10.108 12.311 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 21.882 -11.598 12.341 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 10.849 0.455 18.950 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 10.289 1.245 18.900 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 11.679 0.725 18.570 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 -17.756 11.830 -11.666 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 -18.246 12.410 -11.086 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 -16.876 12.210 -11.696 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 -11.967 16.372 -2.502 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 -11.727 15.482 -2.242 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 -12.587 16.662 -1.842 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -16.209 -1.966 9.116 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -15.809 -1.916 8.246 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -15.679 -2.626 9.576 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 22.751 -0.179 17.489 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 23.361 -0.919 17.469 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 23.311 0.591 17.439 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -22.524 -8.265 23.499 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -21.994 -8.255 24.289 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -22.034 -8.825 22.889 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 -20.001 23.613 8.419 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 -19.101 23.333 8.549 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 -20.221 23.353 7.529 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 20.776 -10.228 -17.283 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 19.926 -10.538 -17.613 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 21.216 -9.888 -18.053 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 24.768 -7.507 13.819 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 24.828 -6.647 13.399 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 24.918 -7.327 14.749 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 12.197 -2.309 -4.753 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 11.837 -3.189 -4.613 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 11.717 -1.969 -5.513 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 11.844 7.133 11.772 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 11.234 6.623 11.232 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 11.554 6.953 12.672 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -11.873 8.312 21.816 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -12.303 8.972 21.276 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -11.023 8.692 22.036 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 7.973 -15.027 7.902 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 7.333 -15.137 7.202 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 8.743 -14.677 7.472 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -4.192 10.497 -5.643 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -3.882 10.677 -4.753 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 -3.392 10.367 -6.143 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 -12.583 -1.082 -15.634 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 -11.933 -0.372 -15.574 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 -12.833 -1.262 -14.734 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 22.101 19.122 12.596 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 21.371 19.742 12.596 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 22.201 18.872 13.516 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 -20.769 6.811 -8.994 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 -21.659 6.871 -8.634 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 -20.839 6.181 -9.704 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 13.747 12.192 0.296 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 12.847 12.442 0.466 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 14.217 13.022 0.216 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 24.737 16.230 14.150 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 24.857 15.530 13.520 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 25.087 17.010 13.720 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 -24.770 -8.165 -11.051 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 -25.640 -7.865 -11.301 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 -24.380 -8.495 -11.861 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -18.592 12.682 4.524 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -17.672 12.892 4.674 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -18.852 12.162 5.284 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 -22.796 -4.850 -15.614 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 -21.996 -5.260 -15.954 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 -23.386 -5.590 -15.454 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 -9.239 -17.344 -6.733 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 -9.889 -18.044 -6.833 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 -8.789 -17.554 -5.913 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 16.359 -2.390 -23.431 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 17.179 -2.100 -23.831 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 16.419 -2.090 -22.531 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 -7.684 11.722 0.358 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 -6.924 11.672 -0.222 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 -8.184 12.472 0.038 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 1.783 5.794 -8.895 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 0.923 5.964 -8.515 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 1.663 5.004 -9.405 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 -17.209 -19.609 -3.595 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 -17.049 -18.699 -3.365 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 -18.159 -19.699 -3.555 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 11.956 12.964 7.132 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 11.666 12.684 8.002 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 11.366 12.514 6.522 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 -18.442 -4.185 -12.528 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 -17.802 -3.685 -13.038 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 -18.282 -3.915 -11.628 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -12.206 -3.094 -9.208 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -12.896 -2.514 -8.878 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -12.666 -3.844 -9.558 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 10.132 11.673 5.506 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 9.451 12.283 5.216 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 9.691 10.813 5.506 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 -15.064 2.951 16.467 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 -15.744 3.421 15.987 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 -15.004 3.411 17.297 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 -0.461 -16.762 11.491 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 -0.731 -16.942 10.591 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 -1.261 -16.532 11.941 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 -18.961 -2.287 -9.201 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 -18.841 -2.367 -8.251 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 -18.081 -2.367 -9.561 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 17.846 9.911 10.285 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 18.006 8.971 10.295 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 16.936 10.001 10.005 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -2.010 21.067 12.179 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -2.260 20.407 12.829 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -2.740 21.687 12.169 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 -22.147 6.232 16.747 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 -21.937 6.512 15.857 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 -22.977 5.752 16.657 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 2.195 -21.326 22.648 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 1.335 -20.926 22.528 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 2.135 -21.766 23.488 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -20.750 3.133 0.819 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -20.780 3.793 0.129 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -21.090 3.573 1.589 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 23.999 6.813 1.678 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 24.839 6.643 1.258 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 23.349 6.463 1.078 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 -24.515 -23.740 13.371 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 -24.145 -23.800 12.501 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 -25.405 -24.080 13.281 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 -4.716 -12.036 -8.618 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 -4.916 -11.126 -8.388 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 -4.136 -12.326 -7.908 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 20.191 9.635 17.796 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 20.571 10.425 17.406 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 20.001 9.075 17.046 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 17.995 6.484 -17.530 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 17.575 7.214 -17.090 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 18.915 6.744 -17.600 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 10.788 8.220 4.623 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 10.988 7.970 3.723 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 11.088 7.480 5.143 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -21.479 13.412 4.962 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -21.169 13.212 5.842 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -20.899 12.922 4.382 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -8.143 -24.675 19.447 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -9.073 -24.675 19.637 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -7.953 -25.575 19.167 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 2.439 -24.788 -16.706 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 1.629 -24.298 -16.516 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 2.489 -25.448 -16.026 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.201 -10.790 -0.314 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -3.091 -10.420 0.566 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -2.751 -11.630 -0.274 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 18.050 15.975 1.759 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 18.180 15.495 2.569 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 17.950 16.885 2.029 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 0.236 21.986 18.319 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 0.986 22.176 18.889 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 0.346 21.066 18.079 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 23.531 2.133 12.882 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 23.271 2.753 13.562 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 23.421 1.273 13.282 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 22.990 -12.011 -15.280 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 23.170 -11.451 -16.030 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 22.510 -12.761 -15.640 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 21.079 18.561 1.296 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 21.689 19.271 1.506 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 21.489 17.781 1.656 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 3.524 22.364 7.446 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 4.414 22.094 7.686 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 3.644 22.874 6.646 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 24.245 20.045 -21.353 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 24.095 19.795 -20.443 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 25.185 20.215 -21.413 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 2.420 20.621 10.026 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 1.490 20.811 10.156 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 2.790 21.431 9.666 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 6.950 14.872 -2.866 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 6.480 15.142 -2.086 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 6.280 14.802 -3.546 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 9.294 6.092 -15.743 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 9.904 6.822 -15.813 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 9.644 5.422 -16.333 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 22.234 21.354 -25.328 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 22.814 21.814 -24.718 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 22.704 20.554 -25.548 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 1.526 -3.241 -10.194 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 1.826 -3.471 -11.074 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 1.586 -2.291 -10.154 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 3.117 12.204 -13.298 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 2.437 12.584 -12.728 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 2.687 11.454 -13.718 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 22.007 7.764 3.749 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 22.567 7.144 3.279 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 22.277 8.624 3.419 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 5.463 12.983 -20.228 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 5.153 12.083 -20.308 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 6.403 12.893 -20.078 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 6.577 -14.408 -9.854 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 7.367 -14.918 -9.664 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 6.517 -14.428 -10.814 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 -16.265 7.894 -8.121 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 -15.635 8.484 -7.711 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 -17.115 8.314 -7.991 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 -20.136 7.711 10.219 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 -19.736 6.841 10.209 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -20.126 7.991 9.309 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -8.210 -11.382 -6.431 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -8.480 -12.012 -5.771 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -7.410 -10.992 -6.081 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -17.056 6.423 14.328 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -17.576 6.133 15.078 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -17.006 5.643 13.758 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 -1.554 -21.889 9.572 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 -1.074 -21.249 10.092 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 -1.604 -22.669 10.142 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 2.156 -24.014 7.585 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 2.166 -24.384 6.705 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 1.996 -23.084 7.455 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 -19.277 -18.983 -12.941 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 -20.117 -19.053 -12.481 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 -19.197 -18.043 -13.141 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -12.800 -16.571 -14.058 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -13.290 -16.161 -13.348 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -12.670 -15.871 -14.698 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -22.144 -21.905 -4.057 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -22.984 -21.705 -4.467 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -21.604 -21.135 -4.227 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 20.580 -20.717 22.925 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 20.280 -21.557 22.585 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 21.520 -20.827 23.045 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 23.649 -4.268 13.907 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 23.009 -4.838 13.477 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 23.149 -3.468 14.107 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 -0.454 -18.244 14.290 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 -0.824 -19.084 14.000 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 -0.254 -17.784 13.470 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 20.688 20.719 22.255 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 21.228 20.869 23.035 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 21.018 19.889 21.895 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -10.071 -24.207 -12.276 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -10.121 -24.607 -13.146 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -9.831 -23.297 -12.446 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 19.304 10.280 5.567 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 19.254 9.380 5.887 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 18.404 10.490 5.327 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -22.177 15.298 -4.755 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -21.397 15.628 -4.315 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -21.857 14.598 -5.325 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -22.023 -22.259 7.892 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -21.563 -22.869 7.312 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -22.943 -22.329 7.632 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -22.132 17.981 18.482 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -22.942 18.281 18.912 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -21.622 17.591 19.192 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 15.526 11.040 -11.641 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 16.456 11.030 -11.871 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 15.336 10.130 -11.421 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 -12.843 -5.340 25.249 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 -12.673 -5.770 24.419 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 -11.973 -5.160 25.619 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 1.446 3.105 14.226 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 1.686 3.315 15.136 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 0.616 3.545 14.086 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 -12.515 16.864 8.414 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 -12.805 17.504 9.074 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 -11.585 17.054 8.304 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 5.251 16.092 -11.338 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 4.581 16.212 -10.668 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 6.031 16.512 -10.968 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -11.351 -14.657 -21.214 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -11.581 -13.977 -20.584 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -10.971 -15.357 -20.684 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 8.720 22.470 17.329 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 8.110 21.740 17.229 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 8.230 23.240 17.069 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 7.703 -22.154 -9.141 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 8.413 -21.614 -8.801 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 8.143 -22.884 -9.581 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 -18.244 9.003 0.198 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 -18.064 8.643 1.058 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 -17.794 8.413 -0.412 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -3.275 7.114 -10.811 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -2.985 7.984 -11.061 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -2.535 6.544 -11.011 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 7.791 -21.488 -5.431 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 8.741 -21.368 -5.441 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 7.441 -20.688 -5.821 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 8.620 -13.833 13.419 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 8.340 -14.183 12.579 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 7.920 -13.223 13.669 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 -9.410 -14.783 -10.614 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 -9.750 -15.013 -9.754 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 -8.500 -14.523 -10.454 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 -21.104 -24.975 -0.317 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -21.534 -24.445 -0.987 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 -20.534 -24.365 0.143 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 24.933 12.696 -6.654 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 24.873 13.236 -5.874 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 24.623 13.256 -7.364 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 5.259 -6.029 -11.488 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 6.199 -6.189 -11.558 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 4.879 -6.879 -11.268 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 10.331 7.440 -5.044 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 10.441 6.720 -4.424 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 9.591 7.940 -4.714 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 10.400 -4.584 -19.418 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 9.560 -4.584 -19.878 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 10.170 -4.714 -18.498 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 1.134 -20.160 -1.415 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 1.914 -19.690 -1.125 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 0.414 -19.750 -0.935 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 7.643 19.925 5.399 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 6.703 20.125 5.309 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 7.713 19.505 6.259 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -7.084 13.082 -4.944 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -6.304 12.882 -4.434 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -6.754 13.502 -5.744 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 -21.315 15.835 -8.300 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 -20.425 16.165 -8.230 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 -21.545 15.565 -7.410 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -3.884 4.192 8.435 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -4.524 3.682 8.925 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -3.064 3.702 8.535 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 4.223 -1.527 -24.711 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.553 -1.127 -25.261 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.313 -0.937 -23.961 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 22.596 -10.834 -1.217 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 23.516 -10.584 -1.117 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 22.116 -10.014 -1.117 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 2.886 -5.233 -14.580 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 3.606 -5.363 -13.960 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 3.086 -4.403 -15.010 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.795 -3.468 -21.398 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 11.605 -4.328 -21.778 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.565 -3.568 -20.478 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 14.248 -14.831 -23.156 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 14.728 -15.601 -22.856 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 14.658 -14.601 -23.986 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 21.204 -2.889 14.729 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 20.544 -3.579 14.779 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 21.474 -2.749 15.639 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -13.722 -2.077 -1.593 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -14.062 -1.337 -2.083 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -14.512 -2.527 -1.273 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 14.579 3.391 -0.908 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 15.379 3.231 -0.418 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 14.729 4.231 -1.338 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 4.597 6.652 -11.918 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 3.667 6.842 -11.808 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 4.627 5.712 -12.108 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 15.947 21.612 -1.144 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 16.807 21.332 -0.814 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 15.767 22.432 -0.684 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 18.099 15.795 23.101 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 17.179 15.555 23.151 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 18.099 16.745 22.991 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 2.985 19.265 -15.474 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 3.865 18.985 -15.734 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 2.735 19.905 -16.134 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 -16.431 -8.307 4.109 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 -16.171 -8.517 4.999 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 -16.081 -9.017 3.579 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 4.123 -4.732 -22.518 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 4.303 -4.012 -21.918 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 4.583 -4.502 -23.318 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 14.569 -20.447 17.652 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 14.239 -20.457 18.552 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 14.829 -19.537 17.512 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 -16.633 1.553 -10.814 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 -16.693 1.413 -11.754 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 -17.263 0.943 -10.444 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 2.519 6.672 -15.054 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 2.669 5.762 -14.794 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 3.369 6.972 -15.374 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 -5.061 10.835 4.284 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 -4.801 9.915 4.374 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 -6.011 10.815 4.274 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 -24.081 -19.368 16.355 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 -23.891 -19.638 15.465 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 -24.371 -18.458 16.275 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 11.787 13.726 21.027 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 12.207 14.046 20.227 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 12.247 14.186 21.737 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 16.344 -24.956 2.792 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 17.284 -25.096 2.852 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 15.964 -25.686 3.282 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 11.469 -14.672 -10.838 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 11.769 -15.442 -10.358 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 12.199 -14.062 -10.798 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 5.961 -11.259 -8.461 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 5.311 -11.669 -9.031 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 6.351 -11.989 -7.981 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 6.470 -20.462 16.433 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 5.880 -19.722 16.283 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 6.020 -20.992 17.083 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 8.846 -1.855 17.802 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 9.666 -2.235 17.482 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 9.116 -1.235 18.472 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 11.365 19.691 13.003 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 12.085 19.391 13.563 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 11.065 18.891 12.563 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 9.885 -21.122 -11.253 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 10.325 -21.952 -11.463 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 9.005 -21.222 -11.633 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 -12.434 4.138 2.816 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 -13.214 4.228 3.356 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 -11.704 4.248 3.416 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 13.587 -24.066 4.625 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 12.687 -24.376 4.695 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.087 -24.846 4.385 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.649 -11.221 -19.016 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 14.139 -11.041 -19.826 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 13.389 -10.361 -18.696 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 0.186 -19.856 10.079 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 -0.144 -19.126 9.569 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 0.616 -19.436 10.829 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 -22.933 13.313 -17.238 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 -22.633 14.143 -17.598 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 -22.123 12.823 -17.058 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 -21.819 22.299 24.868 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 -22.599 21.859 25.198 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 -21.319 21.609 24.418 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 24.606 -21.562 -1.951 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 25.046 -21.392 -1.121 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 23.756 -21.912 -1.701 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -22.392 -20.992 -11.841 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -22.922 -20.782 -12.611 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -22.602 -21.912 -11.641 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 20.531 -10.486 6.145 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 21.361 -10.926 5.945 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 20.041 -10.506 5.325 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 1.260 6.708 -17.502 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 1.480 6.578 -16.582 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 0.320 6.558 -17.552 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 1.339 -1.568 17.650 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 0.989 -1.628 18.540 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 2.199 -1.988 17.710 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 8.213 11.977 -25.460 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 7.283 11.797 -25.350 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 8.383 12.707 -24.860 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -5.907 -12.035 -23.081 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -6.657 -12.435 -23.521 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -6.017 -11.095 -23.221 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 -9.184 21.658 -12.365 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 -8.674 21.478 -13.155 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 -9.984 21.158 -12.485 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 0.396 -3.179 -13.981 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 0.346 -2.889 -14.891 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 1.276 -2.959 -13.701 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 9.991 -7.952 19.618 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 9.271 -7.452 19.208 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 10.421 -8.392 18.888 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -21.387 4.824 9.362 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -21.307 4.464 10.242 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -21.897 5.634 9.472 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.063 -2.266 -4.011 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 2.853 -1.986 -3.121 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 3.623 -3.036 -3.891 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -21.257 21.231 19.430 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -20.517 21.301 20.030 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -20.887 21.411 18.570 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 -1.412 6.511 2.231 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 -0.592 6.951 2.011 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 -1.902 6.481 1.411 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 23.040 -4.865 8.735 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 23.860 -5.175 9.115 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 22.470 -5.635 8.745 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -22.776 19.902 -12.797 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -23.666 20.262 -12.847 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -22.876 18.972 -13.007 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -18.479 -13.502 21.893 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -17.909 -13.292 22.643 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -18.729 -12.652 21.533 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 14.498 19.371 -16.380 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 13.818 20.031 -16.490 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 14.888 19.281 -17.250 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 -4.130 -1.506 -1.062 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 -4.280 -2.446 -0.942 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 -4.680 -1.276 -1.812 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 21.670 15.904 23.695 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 21.410 15.664 22.805 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 21.590 15.094 24.195 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 24.530 12.863 -15.168 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 25.170 12.333 -15.638 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 25.030 13.293 -14.478 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 -2.139 -13.876 -11.894 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 -2.899 -13.436 -11.514 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 -2.239 -13.746 -12.834 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 13.096 15.127 -6.783 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 13.856 15.667 -6.963 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 13.386 14.517 -6.103 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 24.431 -6.217 11.382 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 24.951 -6.967 11.082 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 23.571 -6.577 11.562 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 19.736 3.048 15.688 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 19.206 2.248 15.588 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 19.116 3.758 15.548 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 17.701 -19.835 16.020 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 16.821 -19.495 15.840 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 17.571 -20.765 16.170 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 3.443 -17.926 22.615 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 2.923 -18.306 23.325 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 2.833 -17.866 21.875 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 19.571 11.950 -5.230 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 19.671 11.350 -4.500 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 20.311 11.750 -5.810 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 11.456 -11.061 23.159 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 10.616 -11.521 23.219 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 11.346 -10.461 22.419 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 1.709 -22.373 2.877 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 2.449 -22.493 2.277 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 0.939 -22.563 2.347 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 3.586 -13.348 4.276 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 3.566 -12.838 5.086 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 2.666 -13.538 4.086 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 15.858 22.682 1.513 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 15.688 21.892 2.023 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 16.818 22.732 1.453 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 19.576 20.438 -17.314 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 20.296 20.428 -17.944 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 19.646 21.288 -16.884 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 -19.733 -15.092 -6.700 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 -19.413 -15.962 -6.950 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 -19.943 -15.182 -5.770 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -14.120 4.211 -18.616 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -14.610 4.321 -17.806 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -14.250 3.301 -18.866 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 17.560 11.455 -7.053 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 18.150 10.725 -6.843 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 17.590 12.015 -6.273 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -20.441 5.085 18.767 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -20.641 5.415 19.647 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -21.121 5.465 18.207 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -3.280 -4.607 17.844 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -4.180 -4.907 17.724 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.210 -4.407 18.774 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 13.638 22.514 21.527 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 13.668 23.454 21.707 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 12.728 22.334 21.287 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 20.443 7.776 -10.418 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 20.823 7.826 -11.298 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 19.803 8.486 -10.388 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 10.121 -21.747 19.232 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 10.991 -22.087 19.462 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 10.011 -20.977 19.782 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 5.631 17.396 -16.120 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 5.301 16.856 -16.830 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 6.421 17.806 -16.470 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 -18.103 -21.475 -12.021 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 -18.423 -21.005 -12.781 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 -18.823 -21.455 -11.401 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 10.435 0.612 13.229 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 10.245 -0.068 13.869 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 11.085 0.222 12.649 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 -6.821 -22.860 8.551 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 -6.031 -22.810 9.081 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 -7.151 -21.960 8.531 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 17.944 -22.507 0.211 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 17.434 -21.817 -0.199 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 18.704 -22.627 -0.359 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 -13.457 -22.270 20.934 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 -12.607 -22.110 21.344 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 -13.287 -22.950 20.284 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 -13.035 -16.375 -19.408 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 -13.335 -15.935 -20.208 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 -12.265 -15.875 -19.138 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 -8.539 -11.460 4.592 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 -7.759 -11.980 4.422 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 -9.159 -11.730 3.902 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 -5.104 -7.009 21.592 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 -5.524 -6.329 22.112 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 -5.764 -7.709 21.532 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -17.143 20.579 -14.246 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -16.983 20.309 -13.346 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -16.293 20.869 -14.566 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 0.978 4.460 11.413 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 1.818 4.080 11.653 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 1.188 5.150 10.783 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 19.454 -14.029 25.335 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 20.004 -13.389 24.885 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 18.954 -14.449 24.645 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 16.090 24.447 -1.929 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 15.710 25.047 -2.569 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 15.560 24.567 -1.139 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 4.364 -1.359 -21.948 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 4.814 -2.009 -21.418 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 4.944 -0.599 -21.958 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 -23.476 -16.626 7.161 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 -22.816 -16.766 7.831 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 -23.136 -15.886 6.651 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 -4.015 8.704 -14.396 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 -3.245 9.254 -14.276 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 -3.655 7.844 -14.636 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 3.148 23.928 10.380 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 3.068 23.558 9.500 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 3.968 24.418 10.360 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 20.740 -18.635 8.768 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 20.560 -18.195 7.938 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 21.580 -18.255 9.058 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 7.343 -4.868 -18.104 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 6.673 -4.938 -17.424 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 8.053 -5.428 -17.784 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 20.658 -8.428 3.656 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 21.438 -8.208 3.156 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 20.328 -9.228 3.246 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -24.097 -19.570 -10.153 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -24.437 -18.810 -9.683 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.277 -19.780 -9.703 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -5.752 22.581 -17.662 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -5.212 23.011 -18.332 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -5.442 21.681 -17.642 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 -7.955 12.182 -21.331 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 -7.515 11.792 -20.571 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 -8.875 11.922 -21.241 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 10.217 20.770 -0.882 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 10.517 21.620 -1.202 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 10.087 20.910 0.058 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -14.641 15.002 12.746 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -13.881 15.272 13.266 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -14.651 15.602 11.996 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 21.784 5.645 -4.056 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 21.644 6.505 -3.676 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 22.564 5.305 -3.626 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 2.886 23.141 18.890 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 3.466 23.901 18.930 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 3.436 22.401 19.140 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 24.938 4.729 -24.077 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 24.968 4.489 -24.997 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 25.048 5.679 -24.057 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -23.773 20.599 25.045 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -24.033 20.379 24.145 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -24.343 20.059 25.595 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 12.300 -9.605 8.146 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 12.060 -9.285 7.266 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 11.620 -9.255 8.716 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 24.080 -19.102 19.243 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 24.710 -19.112 19.963 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 23.230 -19.242 19.673 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 5.237 20.075 22.035 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 4.817 20.435 21.255 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 4.567 19.535 22.445 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -10.943 15.536 -17.341 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -11.623 15.376 -18.001 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -11.143 14.936 -16.631 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 -19.794 -0.350 -12.248 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 -18.874 -0.260 -12.468 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 -19.924 -1.290 -12.148 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 7.395 12.589 -7.368 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 7.075 13.019 -8.158 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 8.035 11.949 -7.688 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 15.111 16.732 11.861 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 16.061 16.572 11.821 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 14.921 16.832 12.801 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -14.014 21.389 -22.755 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -14.094 21.209 -23.695 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -14.914 21.429 -22.445 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 24.639 3.965 -6.587 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 24.369 4.555 -7.287 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 25.229 4.495 -6.047 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 20.279 -8.797 8.506 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 20.069 -8.997 7.596 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 21.149 -9.187 8.636 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 23.891 -8.461 -9.111 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 23.971 -9.101 -8.411 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 24.431 -8.811 -9.821 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 19.331 -10.600 -4.759 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 19.611 -11.410 -5.189 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 18.701 -10.220 -5.369 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 25.511 9.334 7.123 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 24.881 9.924 7.553 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 24.991 8.874 6.473 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 0.751 -12.711 -8.179 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 0.271 -12.071 -8.699 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 0.341 -13.551 -8.389 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 24.150 4.204 -9.597 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 23.460 3.664 -9.207 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 24.880 3.604 -9.707 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 -11.936 12.312 -2.254 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 -12.786 12.292 -1.804 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 -11.916 13.162 -2.694 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -4.280 24.511 -15.663 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -3.590 23.971 -15.283 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -4.850 23.881 -16.123 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -20.774 -24.239 -5.931 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -21.624 -23.989 -5.551 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -20.674 -25.159 -5.691 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 7.244 -24.173 -5.929 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 7.854 -23.583 -6.359 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 6.394 -23.753 -6.019 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 7.487 -23.319 4.945 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 6.977 -22.809 4.325 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 6.877 -23.509 5.655 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 18.660 -15.574 20.125 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 19.020 -16.264 20.675 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 18.600 -14.814 20.705 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 21.149 11.768 15.989 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 21.749 12.508 15.929 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 20.329 12.088 15.619 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -17.643 -24.538 22.155 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -18.343 -25.178 22.305 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -16.873 -24.928 22.565 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 -13.182 -8.500 -6.878 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 -12.832 -8.760 -7.728 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 -14.122 -8.620 -6.958 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 -3.065 -20.046 11.691 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 -2.895 -20.376 12.581 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 -2.735 -19.146 11.701 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 0.020 -6.458 -0.786 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 -0.730 -6.618 -0.216 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 0.100 -7.258 -1.306 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 14.520 23.850 4.222 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 15.220 23.610 4.832 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 13.930 23.090 4.232 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.466 -7.565 12.635 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.176 -7.315 13.515 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.726 -8.485 12.715 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 15.644 -7.438 3.316 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 15.704 -8.088 4.016 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 16.524 -7.408 2.946 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -9.123 18.242 9.192 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -8.733 19.112 9.112 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -9.913 18.372 9.712 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -13.645 -14.867 6.291 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -13.505 -13.937 6.081 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -13.835 -14.877 7.231 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 19.874 -6.428 5.080 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 20.534 -5.858 4.690 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 19.954 -7.258 4.600 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 -21.576 0.119 12.050 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 -22.396 0.249 11.580 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 -21.246 -0.721 11.730 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 0.896 18.281 23.992 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 0.086 18.711 24.282 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 0.686 17.931 23.122 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 15.017 12.273 8.850 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 15.477 13.113 8.960 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 14.297 12.473 8.250 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 -9.406 11.533 17.880 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 -8.936 11.223 17.110 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 -8.726 11.663 18.540 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -21.894 -19.513 8.322 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -21.724 -20.323 7.852 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -22.814 -19.323 8.152 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 -5.093 -8.472 -23.241 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 -4.373 -8.402 -22.621 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 -4.863 -7.872 -23.951 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 9.647 0.451 23.545 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 8.827 0.751 23.155 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 9.967 -0.209 22.935 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 14.816 4.635 -3.448 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 13.956 4.955 -3.738 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 15.346 4.655 -4.238 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 4.696 19.155 5.850 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 4.686 18.695 6.690 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 3.826 19.555 5.780 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 15.003 17.689 23.775 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 15.423 17.969 22.955 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 14.493 18.449 24.045 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -23.897 -9.227 -16.804 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -23.957 -10.117 -16.454 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -24.577 -9.197 -17.474 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 4.134 -1.379 -0.591 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 3.864 -1.039 0.259 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 3.714 -0.789 -1.221 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 23.970 -18.641 -0.584 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 24.180 -18.551 -1.514 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 24.790 -18.901 -0.174 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 -17.743 18.110 -1.371 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 -17.473 17.490 -2.041 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 -18.183 18.810 -1.851 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 15.323 21.805 -8.828 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 15.323 22.545 -8.218 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 15.113 21.045 -8.288 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -3.455 -0.280 14.328 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -4.095 -0.810 13.848 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -3.975 0.420 14.728 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 -17.123 -7.243 21.705 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 -17.003 -7.623 20.835 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 -18.023 -6.903 21.685 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 -6.595 -10.208 -17.577 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 -7.005 -10.398 -16.737 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 -5.715 -10.578 -17.507 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -21.274 -0.622 17.681 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -20.514 -0.052 17.771 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -21.114 -1.122 16.871 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 -1.510 22.513 -9.871 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 -2.130 21.903 -9.471 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 -0.770 21.963 -10.121 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -10.226 -0.741 -17.499 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -10.876 -0.641 -18.189 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -9.596 -0.031 -17.649 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -13.240 3.989 -5.359 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -14.060 4.459 -5.169 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -12.640 4.669 -5.669 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 24.863 6.179 -1.537 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 25.183 5.619 -2.247 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 25.513 6.069 -0.837 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 -11.809 -0.634 -5.754 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 -11.469 -1.524 -5.754 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 -12.319 -0.564 -4.944 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -16.783 -10.102 -20.145 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -17.583 -10.222 -19.635 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -17.093 -9.832 -21.005 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -10.626 -7.505 13.141 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -11.576 -7.505 13.231 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -10.296 -7.765 14.001 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 3.267 1.608 6.849 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 2.537 2.158 6.569 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 3.147 1.508 7.789 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -6.790 -14.142 0.093 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -7.300 -13.412 0.453 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -6.690 -14.742 0.833 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.276 -1.859 -8.795 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.216 -1.899 -7.835 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 21.686 -2.539 -9.105 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 8.715 -24.919 8.361 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 8.945 -25.749 7.931 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 8.025 -24.549 7.811 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 -17.651 20.727 15.801 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 -17.551 21.077 14.911 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 -18.341 20.077 15.721 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.721 6.489 9.575 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.079 6.319 10.075 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.981 7.379 9.835 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 12.583 9.082 -17.221 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 12.373 8.382 -17.841 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 12.583 9.882 -17.751 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 7.109 7.649 -21.254 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 7.319 7.889 -20.354 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 7.869 7.139 -21.544 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -23.734 24.648 -4.162 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -24.334 24.168 -4.732 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -22.894 24.188 -4.242 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -10.325 2.174 -3.348 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -10.245 2.094 -4.298 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -9.715 1.524 -2.998 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 3.694 1.292 18.992 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 2.884 0.852 19.262 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 4.014 0.782 18.252 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -9.409 3.097 -17.122 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -9.149 3.907 -16.682 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -10.349 3.197 -17.272 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 -10.867 21.763 -22.355 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 -11.777 22.033 -22.265 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 -10.757 21.583 -23.285 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.270 0.563 -9.701 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.160 0.443 -10.641 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -22.210 0.693 -9.581 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 2.938 -1.611 -19.051 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 3.028 -1.201 -19.911 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 1.998 -1.761 -18.951 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.226 -1.960 16.047 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 17.256 -1.210 15.447 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 18.026 -1.880 16.567 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 -1.977 22.472 -23.618 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 -2.157 23.212 -23.038 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 -1.867 22.852 -24.488 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -19.314 10.880 13.167 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -20.074 10.320 13.277 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -18.714 10.620 13.867 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -20.714 19.334 7.273 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -19.904 19.844 7.323 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.124 19.624 6.463 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 -15.937 -23.772 18.353 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 -16.737 -23.572 17.873 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 -15.407 -22.972 18.283 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 9.238 -17.389 23.831 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 9.178 -17.419 24.781 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 9.418 -18.289 23.571 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -22.027 8.790 4.046 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -22.947 9.020 3.936 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -21.687 9.450 4.646 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 15.875 -8.158 17.319 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 16.265 -7.288 17.309 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 15.265 -8.148 18.059 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 -3.541 -6.131 -18.449 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 -3.111 -6.301 -17.609 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 -4.481 -6.141 -18.239 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 21.485 10.119 12.392 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 21.405 10.859 11.792 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 21.895 9.429 11.862 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -0.422 18.338 13.456 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -1.112 17.838 13.006 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -0.082 17.728 14.106 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 18.754 -21.820 -15.889 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 18.344 -21.140 -15.349 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 18.574 -22.630 -15.419 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -19.469 -22.510 -3.154 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -19.109 -22.820 -3.994 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.359 -22.230 -3.364 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 0.148 -19.347 23.347 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 0.708 -18.847 23.937 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -0.282 -19.987 23.907 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 17.609 7.417 3.709 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 16.739 7.347 4.109 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 17.549 8.157 3.109 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 17.167 -13.991 11.135 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 16.467 -14.641 11.045 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 16.837 -13.381 11.795 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 -6.464 0.711 -13.656 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 -6.464 1.201 -12.836 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 -6.784 1.341 -14.306 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 18.520 7.441 -6.878 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 19.020 8.201 -7.158 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 18.380 7.561 -5.938 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 14.304 -10.415 15.271 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 13.864 -10.265 16.111 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 14.664 -9.565 15.031 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 -3.556 17.109 21.932 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 -3.166 16.859 21.092 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 -2.846 17.029 22.562 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -12.394 -13.193 -14.336 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -12.954 -12.863 -15.036 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -11.504 -13.153 -14.696 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 -23.203 -19.089 19.789 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 -23.163 -18.139 19.889 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 -23.283 -19.419 20.689 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -14.669 -18.509 -12.371 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -14.529 -18.359 -13.301 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -15.099 -19.369 -12.331 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -16.453 5.791 -18.642 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -16.073 6.631 -18.912 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -15.723 5.311 -18.252 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 -2.807 16.735 7.611 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 -3.677 17.105 7.791 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 -2.217 17.485 7.681 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 -24.530 13.667 -19.384 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 -23.940 13.247 -20.014 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 -24.010 13.737 -18.584 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -9.701 9.480 -4.813 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -9.721 10.120 -5.523 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -9.911 8.640 -5.233 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 21.266 -6.843 -5.228 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 21.646 -7.673 -5.538 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 21.996 -6.373 -4.848 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -24.897 -4.451 18.666 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -25.677 -4.841 19.056 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.347 -4.221 19.416 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -18.357 21.695 -0.353 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -18.787 21.725 -1.213 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -17.457 21.975 -0.523 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 23.958 14.194 8.811 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 24.378 13.474 8.351 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 23.098 14.284 8.401 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 5.465 22.557 -14.198 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 5.345 22.177 -13.318 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 5.655 21.797 -14.748 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 -1.537 -22.860 15.629 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 -1.137 -23.530 16.189 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 -1.647 -23.290 14.789 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.387 19.876 15.445 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.937 19.346 14.865 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 13.987 20.216 16.095 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 10.956 3.198 15.783 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 10.066 3.218 16.143 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 10.946 2.468 15.163 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 -19.121 7.463 -22.349 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 -19.131 8.413 -22.379 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 -18.591 7.203 -23.109 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 0.383 10.035 -17.476 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 0.803 9.925 -16.626 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 -0.557 10.075 -17.286 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 -22.499 -7.314 -18.494 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 -22.869 -7.594 -19.324 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 -22.989 -7.794 -17.834 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 17.383 -18.620 -11.898 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 18.233 -18.850 -12.258 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 17.583 -18.120 -11.098 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 4.144 -20.799 3.432 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 5.024 -21.019 3.132 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 4.274 -20.379 4.272 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -7.785 -21.042 -16.008 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -8.375 -21.182 -16.738 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -7.675 -21.912 -15.618 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 24.775 -21.073 13.553 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 25.125 -21.963 13.493 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 25.535 -20.513 13.683 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 0.849 20.413 -18.110 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 -0.031 20.053 -18.000 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 0.969 20.483 -19.060 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -11.994 -7.516 6.825 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -12.064 -8.066 7.615 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -11.104 -7.156 6.875 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 -12.701 -7.962 22.590 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 -12.581 -8.822 23.000 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 -11.811 -7.652 22.430 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -18.683 5.445 16.526 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -19.353 5.015 15.996 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -19.093 6.255 16.836 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 -14.993 9.555 11.235 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 -14.793 9.405 12.165 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 -15.473 10.385 11.225 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -12.582 -13.777 22.123 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -12.332 -13.627 21.203 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -11.812 -14.207 22.513 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 -22.722 -12.151 -13.712 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 -23.392 -12.751 -14.022 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 -22.122 -12.061 -14.452 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -6.653 12.270 17.625 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -7.203 11.840 16.975 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -5.833 11.770 17.615 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 8.158 10.250 17.193 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 7.378 10.660 16.833 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 7.958 10.100 18.113 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 6.304 -19.027 -9.571 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 5.394 -19.167 -9.821 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 6.764 -19.797 -9.901 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 17.064 24.912 -21.101 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 17.964 25.002 -21.401 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 16.914 25.692 -20.561 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -0.407 22.593 1.292 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 0.173 23.353 1.262 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -0.827 22.583 0.432 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 0.386 24.137 -14.996 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 1.226 23.707 -15.176 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 0.566 24.707 -14.246 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 -6.665 10.342 -13.409 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 -5.965 9.712 -13.229 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 -7.015 10.562 -12.549 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 21.986 -22.869 14.595 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 21.296 -22.209 14.565 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 22.776 -22.399 14.325 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 25.273 -22.360 -11.930 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 25.293 -21.420 -12.070 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 24.653 -22.490 -11.210 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 19.041 10.150 -21.658 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 19.521 9.920 -20.868 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 18.441 10.840 -21.388 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 20.838 9.237 -3.895 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -23.495 -23.667 -18.264 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 11.536 -3.191 16.869 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 20.884 1.260 -2.048 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.743 -22.057 -24.460 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 -18.307 -11.782 12.097 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 -19.319 -25.060 -19.308 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -20.347 -19.248 -4.593 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 22.489 -18.017 -12.898 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -5.954 17.727 17.988 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 15.134 10.360 0.475 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.668 -14.449 -20.881 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 -15.335 17.229 -9.520 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 20.101 2.700 -4.255 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -22.731 -23.935 23.584 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 14.783 -21.218 -19.490 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 -17.410 -23.239 -13.181 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/generators/ntl9_1ns_0/structure.psf b/adaptivemd/generators/ntl9_1ns_0/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_0/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 0 + 750 WT0 129 TIP3 H1 HT 0.417000 1.0080 0 + 751 WT0 129 TIP3 H2 HT 0.417000 1.0080 0 + 752 WT0 130 TIP3 OH2 OT -0.834000 15.9994 0 + 753 WT0 130 TIP3 H1 HT 0.417000 1.0080 0 + 754 WT0 130 TIP3 H2 HT 0.417000 1.0080 0 + 755 WT0 133 TIP3 OH2 OT -0.834000 15.9994 0 + 756 WT0 133 TIP3 H1 HT 0.417000 1.0080 0 + 757 WT0 133 TIP3 H2 HT 0.417000 1.0080 0 + 758 WT0 134 TIP3 OH2 OT -0.834000 15.9994 0 + 759 WT0 134 TIP3 H1 HT 0.417000 1.0080 0 + 760 WT0 134 TIP3 H2 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 784 WT0 153 TIP3 H2 HT 0.417000 1.0080 0 + 785 WT0 155 TIP3 OH2 OT -0.834000 15.9994 0 + 786 WT0 155 TIP3 H1 HT 0.417000 1.0080 0 + 787 WT0 155 TIP3 H2 HT 0.417000 1.0080 0 + 788 WT0 156 TIP3 OH2 OT -0.834000 15.9994 0 + 789 WT0 156 TIP3 H1 HT 0.417000 1.0080 0 + 790 WT0 156 TIP3 H2 HT 0.417000 1.0080 0 + 791 WT0 160 TIP3 OH2 OT -0.834000 15.9994 0 + 792 WT0 160 TIP3 H1 HT 0.417000 1.0080 0 + 793 WT0 160 TIP3 H2 HT 0.417000 1.0080 0 + 794 WT0 162 TIP3 OH2 OT -0.834000 15.9994 0 + 795 WT0 162 TIP3 H1 HT 0.417000 1.0080 0 + 796 WT0 162 TIP3 H2 HT 0.417000 1.0080 0 + 797 WT0 163 TIP3 OH2 OT -0.834000 15.9994 0 + 798 WT0 163 TIP3 H1 HT 0.417000 1.0080 0 + 799 WT0 163 TIP3 H2 HT 0.417000 1.0080 0 + 800 WT0 167 TIP3 OH2 OT -0.834000 15.9994 0 + 801 WT0 167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 + 818 WT0 190 TIP3 OH2 OT -0.834000 15.9994 0 + 819 WT0 190 TIP3 H1 HT 0.417000 1.0080 0 + 820 WT0 190 TIP3 H2 HT 0.417000 1.0080 0 + 821 WT0 191 TIP3 OH2 OT -0.834000 15.9994 0 + 822 WT0 191 TIP3 H1 HT 0.417000 1.0080 0 + 823 WT0 191 TIP3 H2 HT 0.417000 1.0080 0 + 824 WT0 195 TIP3 OH2 OT -0.834000 15.9994 0 + 825 WT0 195 TIP3 H1 HT 0.417000 1.0080 0 + 826 WT0 195 TIP3 H2 HT 0.417000 1.0080 0 + 827 WT0 196 TIP3 OH2 OT -0.834000 15.9994 0 + 828 WT0 196 TIP3 H1 HT 0.417000 1.0080 0 + 829 WT0 196 TIP3 H2 HT 0.417000 1.0080 0 + 830 WT0 198 TIP3 OH2 OT -0.834000 15.9994 0 + 831 WT0 198 TIP3 H1 HT 0.417000 1.0080 0 + 832 WT0 198 TIP3 H2 HT 0.417000 1.0080 0 + 833 WT0 201 TIP3 OH2 OT -0.834000 15.9994 0 + 834 WT0 201 TIP3 H1 HT 0.417000 1.0080 0 + 835 WT0 201 TIP3 H2 HT 0.417000 1.0080 0 + 836 WT0 202 TIP3 OH2 OT -0.834000 15.9994 0 + 837 WT0 202 TIP3 H1 HT 0.417000 1.0080 0 + 838 WT0 202 TIP3 H2 HT 0.417000 1.0080 0 + 839 WT0 205 TIP3 OH2 OT -0.834000 15.9994 0 + 840 WT0 205 TIP3 H1 HT 0.417000 1.0080 0 + 841 WT0 205 TIP3 H2 HT 0.417000 1.0080 0 + 842 WT0 206 TIP3 OH2 OT -0.834000 15.9994 0 + 843 WT0 206 TIP3 H1 HT 0.417000 1.0080 0 + 844 WT0 206 TIP3 H2 HT 0.417000 1.0080 0 + 845 WT0 212 TIP3 OH2 OT -0.834000 15.9994 0 + 846 WT0 212 TIP3 H1 HT 0.417000 1.0080 0 + 847 WT0 212 TIP3 H2 HT 0.417000 1.0080 0 + 848 WT0 222 TIP3 OH2 OT -0.834000 15.9994 0 + 849 WT0 222 TIP3 H1 HT 0.417000 1.0080 0 + 850 WT0 222 TIP3 H2 HT 0.417000 1.0080 0 + 851 WT0 225 TIP3 OH2 OT -0.834000 15.9994 0 + 852 WT0 225 TIP3 H1 HT 0.417000 1.0080 0 + 853 WT0 225 TIP3 H2 HT 0.417000 1.0080 0 + 854 WT0 231 TIP3 OH2 OT -0.834000 15.9994 0 + 855 WT0 231 TIP3 H1 HT 0.417000 1.0080 0 + 856 WT0 231 TIP3 H2 HT 0.417000 1.0080 0 + 857 WT0 235 TIP3 OH2 OT -0.834000 15.9994 0 + 858 WT0 235 TIP3 H1 HT 0.417000 1.0080 0 + 859 WT0 235 TIP3 H2 HT 0.417000 1.0080 0 + 860 WT0 237 TIP3 OH2 OT -0.834000 15.9994 0 + 861 WT0 237 TIP3 H1 HT 0.417000 1.0080 0 + 862 WT0 237 TIP3 H2 HT 0.417000 1.0080 0 + 863 WT0 238 TIP3 OH2 OT -0.834000 15.9994 0 + 864 WT0 238 TIP3 H1 HT 0.417000 1.0080 0 + 865 WT0 238 TIP3 H2 HT 0.417000 1.0080 0 + 866 WT0 239 TIP3 OH2 OT -0.834000 15.9994 0 + 867 WT0 239 TIP3 H1 HT 0.417000 1.0080 0 + 868 WT0 239 TIP3 H2 HT 0.417000 1.0080 0 + 869 WT0 252 TIP3 OH2 OT -0.834000 15.9994 0 + 870 WT0 252 TIP3 H1 HT 0.417000 1.0080 0 + 871 WT0 252 TIP3 H2 HT 0.417000 1.0080 0 + 872 WT0 253 TIP3 OH2 OT -0.834000 15.9994 0 + 873 WT0 253 TIP3 H1 HT 0.417000 1.0080 0 + 874 WT0 253 TIP3 H2 HT 0.417000 1.0080 0 + 875 WT0 255 TIP3 OH2 OT -0.834000 15.9994 0 + 876 WT0 255 TIP3 H1 HT 0.417000 1.0080 0 + 877 WT0 255 TIP3 H2 HT 0.417000 1.0080 0 + 878 WT0 257 TIP3 OH2 OT -0.834000 15.9994 0 + 879 WT0 257 TIP3 H1 HT 0.417000 1.0080 0 + 880 WT0 257 TIP3 H2 HT 0.417000 1.0080 0 + 881 WT0 258 TIP3 OH2 OT -0.834000 15.9994 0 + 882 WT0 258 TIP3 H1 HT 0.417000 1.0080 0 + 883 WT0 258 TIP3 H2 HT 0.417000 1.0080 0 + 884 WT0 259 TIP3 OH2 OT -0.834000 15.9994 0 + 885 WT0 259 TIP3 H1 HT 0.417000 1.0080 0 + 886 WT0 259 TIP3 H2 HT 0.417000 1.0080 0 + 887 WT0 261 TIP3 OH2 OT -0.834000 15.9994 0 + 888 WT0 261 TIP3 H1 HT 0.417000 1.0080 0 + 889 WT0 261 TIP3 H2 HT 0.417000 1.0080 0 + 890 WT0 262 TIP3 OH2 OT -0.834000 15.9994 0 + 891 WT0 262 TIP3 H1 HT 0.417000 1.0080 0 + 892 WT0 262 TIP3 H2 HT 0.417000 1.0080 0 + 893 WT0 267 TIP3 OH2 OT -0.834000 15.9994 0 + 894 WT0 267 TIP3 H1 HT 0.417000 1.0080 0 + 895 WT0 267 TIP3 H2 HT 0.417000 1.0080 0 + 896 WT0 281 TIP3 OH2 OT -0.834000 15.9994 0 + 897 WT0 281 TIP3 H1 HT 0.417000 1.0080 0 + 898 WT0 281 TIP3 H2 HT 0.417000 1.0080 0 + 899 WT0 282 TIP3 OH2 OT -0.834000 15.9994 0 + 900 WT0 282 TIP3 H1 HT 0.417000 1.0080 0 + 901 WT0 282 TIP3 H2 HT 0.417000 1.0080 0 + 902 WT0 284 TIP3 OH2 OT -0.834000 15.9994 0 + 903 WT0 284 TIP3 H1 HT 0.417000 1.0080 0 + 904 WT0 284 TIP3 H2 HT 0.417000 1.0080 0 + 905 WT0 285 TIP3 OH2 OT -0.834000 15.9994 0 + 906 WT0 285 TIP3 H1 HT 0.417000 1.0080 0 + 907 WT0 285 TIP3 H2 HT 0.417000 1.0080 0 + 908 WT0 295 TIP3 OH2 OT -0.834000 15.9994 0 + 909 WT0 295 TIP3 H1 HT 0.417000 1.0080 0 + 910 WT0 295 TIP3 H2 HT 0.417000 1.0080 0 + 911 WT0 302 TIP3 OH2 OT -0.834000 15.9994 0 + 912 WT0 302 TIP3 H1 HT 0.417000 1.0080 0 + 913 WT0 302 TIP3 H2 HT 0.417000 1.0080 0 + 914 WT0 306 TIP3 OH2 OT -0.834000 15.9994 0 + 915 WT0 306 TIP3 H1 HT 0.417000 1.0080 0 + 916 WT0 306 TIP3 H2 HT 0.417000 1.0080 0 + 917 WT0 316 TIP3 OH2 OT -0.834000 15.9994 0 + 918 WT0 316 TIP3 H1 HT 0.417000 1.0080 0 + 919 WT0 316 TIP3 H2 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 943 WT0 361 TIP3 H2 HT 0.417000 1.0080 0 + 944 WT0 365 TIP3 OH2 OT -0.834000 15.9994 0 + 945 WT0 365 TIP3 H1 HT 0.417000 1.0080 0 + 946 WT0 365 TIP3 H2 HT 0.417000 1.0080 0 + 947 WT0 367 TIP3 OH2 OT -0.834000 15.9994 0 + 948 WT0 367 TIP3 H1 HT 0.417000 1.0080 0 + 949 WT0 367 TIP3 H2 HT 0.417000 1.0080 0 + 950 WT0 368 TIP3 OH2 OT -0.834000 15.9994 0 + 951 WT0 368 TIP3 H1 HT 0.417000 1.0080 0 + 952 WT0 368 TIP3 H2 HT 0.417000 1.0080 0 + 953 WT0 369 TIP3 OH2 OT -0.834000 15.9994 0 + 954 WT0 369 TIP3 H1 HT 0.417000 1.0080 0 + 955 WT0 369 TIP3 H2 HT 0.417000 1.0080 0 + 956 WT0 391 TIP3 OH2 OT -0.834000 15.9994 0 + 957 WT0 391 TIP3 H1 HT 0.417000 1.0080 0 + 958 WT0 391 TIP3 H2 HT 0.417000 1.0080 0 + 959 WT0 403 TIP3 OH2 OT -0.834000 15.9994 0 + 960 WT0 403 TIP3 H1 HT 0.417000 1.0080 0 + 961 WT0 403 TIP3 H2 HT 0.417000 1.0080 0 + 962 WT0 409 TIP3 OH2 OT -0.834000 15.9994 0 + 963 WT0 409 TIP3 H1 HT 0.417000 1.0080 0 + 964 WT0 409 TIP3 H2 HT 0.417000 1.0080 0 + 965 WT0 411 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988 WT0 450 TIP3 H2 HT 0.417000 1.0080 0 + 989 WT0 452 TIP3 OH2 OT -0.834000 15.9994 0 + 990 WT0 452 TIP3 H1 HT 0.417000 1.0080 0 + 991 WT0 452 TIP3 H2 HT 0.417000 1.0080 0 + 992 WT0 457 TIP3 OH2 OT -0.834000 15.9994 0 + 993 WT0 457 TIP3 H1 HT 0.417000 1.0080 0 + 994 WT0 457 TIP3 H2 HT 0.417000 1.0080 0 + 995 WT0 465 TIP3 OH2 OT -0.834000 15.9994 0 + 996 WT0 465 TIP3 H1 HT 0.417000 1.0080 0 + 997 WT0 465 TIP3 H2 HT 0.417000 1.0080 0 + 998 WT0 466 TIP3 OH2 OT -0.834000 15.9994 0 + 999 WT0 466 TIP3 H1 HT 0.417000 1.0080 0 + 1000 WT0 466 TIP3 H2 HT 0.417000 1.0080 0 + 1001 WT0 469 TIP3 OH2 OT -0.834000 15.9994 0 + 1002 WT0 469 TIP3 H1 HT 0.417000 1.0080 0 + 1003 WT0 469 TIP3 H2 HT 0.417000 1.0080 0 + 1004 WT0 479 TIP3 OH2 OT -0.834000 15.9994 0 + 1005 WT0 479 TIP3 H1 HT 0.417000 1.0080 0 + 1006 WT0 479 TIP3 H2 HT 0.417000 1.0080 0 + 1007 WT0 484 TIP3 OH2 OT -0.834000 15.9994 0 + 1008 WT0 484 TIP3 H1 HT 0.417000 1.0080 0 + 1009 WT0 484 TIP3 H2 HT 0.417000 1.0080 0 + 1010 WT0 485 TIP3 OH2 OT -0.834000 15.9994 0 + 1011 WT0 485 TIP3 H1 HT 0.417000 1.0080 0 + 1012 WT0 485 TIP3 H2 HT 0.417000 1.0080 0 + 1013 WT0 486 TIP3 OH2 OT -0.834000 15.9994 0 + 1014 WT0 486 TIP3 H1 HT 0.417000 1.0080 0 + 1015 WT0 486 TIP3 H2 HT 0.417000 1.0080 0 + 1016 WT0 489 TIP3 OH2 OT -0.834000 15.9994 0 + 1017 WT0 489 TIP3 H1 HT 0.417000 1.0080 0 + 1018 WT0 489 TIP3 H2 HT 0.417000 1.0080 0 + 1019 WT0 490 TIP3 OH2 OT -0.834000 15.9994 0 + 1020 WT0 490 TIP3 H1 HT 0.417000 1.0080 0 + 1021 WT0 490 TIP3 H2 HT 0.417000 1.0080 0 + 1022 WT0 491 TIP3 OH2 OT -0.834000 15.9994 0 + 1023 WT0 491 TIP3 H1 HT 0.417000 1.0080 0 + 1024 WT0 491 TIP3 H2 HT 0.417000 1.0080 0 + 1025 WT0 493 TIP3 OH2 OT -0.834000 15.9994 0 + 1026 WT0 493 TIP3 H1 HT 0.417000 1.0080 0 + 1027 WT0 493 TIP3 H2 HT 0.417000 1.0080 0 + 1028 WT0 494 TIP3 OH2 OT -0.834000 15.9994 0 + 1029 WT0 494 TIP3 H1 HT 0.417000 1.0080 0 + 1030 WT0 494 TIP3 H2 HT 0.417000 1.0080 0 + 1031 WT0 495 TIP3 OH2 OT -0.834000 15.9994 0 + 1032 WT0 495 TIP3 H1 HT 0.417000 1.0080 0 + 1033 WT0 495 TIP3 H2 HT 0.417000 1.0080 0 + 1034 WT0 498 TIP3 OH2 OT -0.834000 15.9994 0 + 1035 WT0 498 TIP3 H1 HT 0.417000 1.0080 0 + 1036 WT0 498 TIP3 H2 HT 0.417000 1.0080 0 + 1037 WT0 500 TIP3 OH2 OT -0.834000 15.9994 0 + 1038 WT0 500 TIP3 H1 HT 0.417000 1.0080 0 + 1039 WT0 500 TIP3 H2 HT 0.417000 1.0080 0 + 1040 WT0 503 TIP3 OH2 OT -0.834000 15.9994 0 + 1041 WT0 503 TIP3 H1 HT 0.417000 1.0080 0 + 1042 WT0 503 TIP3 H2 HT 0.417000 1.0080 0 + 1043 WT0 506 TIP3 OH2 OT -0.834000 15.9994 0 + 1044 WT0 506 TIP3 H1 HT 0.417000 1.0080 0 + 1045 WT0 506 TIP3 H2 HT 0.417000 1.0080 0 + 1046 WT0 507 TIP3 OH2 OT -0.834000 15.9994 0 + 1047 WT0 507 TIP3 H1 HT 0.417000 1.0080 0 + 1048 WT0 507 TIP3 H2 HT 0.417000 1.0080 0 + 1049 WT0 508 TIP3 OH2 OT -0.834000 15.9994 0 + 1050 WT0 508 TIP3 H1 HT 0.417000 1.0080 0 + 1051 WT0 508 TIP3 H2 HT 0.417000 1.0080 0 + 1052 WT0 509 TIP3 OH2 OT -0.834000 15.9994 0 + 1053 WT0 509 TIP3 H1 HT 0.417000 1.0080 0 + 1054 WT0 509 TIP3 H2 HT 0.417000 1.0080 0 + 1055 WT0 511 TIP3 OH2 OT -0.834000 15.9994 0 + 1056 WT0 511 TIP3 H1 HT 0.417000 1.0080 0 + 1057 WT0 511 TIP3 H2 HT 0.417000 1.0080 0 + 1058 WT0 512 TIP3 OH2 OT -0.834000 15.9994 0 + 1059 WT0 512 TIP3 H1 HT 0.417000 1.0080 0 + 1060 WT0 512 TIP3 H2 HT 0.417000 1.0080 0 + 1061 WT0 514 TIP3 OH2 OT -0.834000 15.9994 0 + 1062 WT0 514 TIP3 H1 HT 0.417000 1.0080 0 + 1063 WT0 514 TIP3 H2 HT 0.417000 1.0080 0 + 1064 WT0 515 TIP3 OH2 OT -0.834000 15.9994 0 + 1065 WT0 515 TIP3 H1 HT 0.417000 1.0080 0 + 1066 WT0 515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 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550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 + 1155 WT0 587 TIP3 H1 HT 0.417000 1.0080 0 + 1156 WT0 587 TIP3 H2 HT 0.417000 1.0080 0 + 1157 WT0 588 TIP3 OH2 OT -0.834000 15.9994 0 + 1158 WT0 588 TIP3 H1 HT 0.417000 1.0080 0 + 1159 WT0 588 TIP3 H2 HT 0.417000 1.0080 0 + 1160 WT0 591 TIP3 OH2 OT -0.834000 15.9994 0 + 1161 WT0 591 TIP3 H1 HT 0.417000 1.0080 0 + 1162 WT0 591 TIP3 H2 HT 0.417000 1.0080 0 + 1163 WT0 593 TIP3 OH2 OT -0.834000 15.9994 0 + 1164 WT0 593 TIP3 H1 HT 0.417000 1.0080 0 + 1165 WT0 593 TIP3 H2 HT 0.417000 1.0080 0 + 1166 WT0 594 TIP3 OH2 OT -0.834000 15.9994 0 + 1167 WT0 594 TIP3 H1 HT 0.417000 1.0080 0 + 1168 WT0 594 TIP3 H2 HT 0.417000 1.0080 0 + 1169 WT0 595 TIP3 OH2 OT -0.834000 15.9994 0 + 1170 WT0 595 TIP3 H1 HT 0.417000 1.0080 0 + 1171 WT0 595 TIP3 H2 HT 0.417000 1.0080 0 + 1172 WT0 598 TIP3 OH2 OT -0.834000 15.9994 0 + 1173 WT0 598 TIP3 H1 HT 0.417000 1.0080 0 + 1174 WT0 598 TIP3 H2 HT 0.417000 1.0080 0 + 1175 WT0 599 TIP3 OH2 OT -0.834000 15.9994 0 + 1176 WT0 599 TIP3 H1 HT 0.417000 1.0080 0 + 1177 WT0 599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 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623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 + 1266 WT0 676 TIP3 H1 HT 0.417000 1.0080 0 + 1267 WT0 676 TIP3 H2 HT 0.417000 1.0080 0 + 1268 WT0 677 TIP3 OH2 OT -0.834000 15.9994 0 + 1269 WT0 677 TIP3 H1 HT 0.417000 1.0080 0 + 1270 WT0 677 TIP3 H2 HT 0.417000 1.0080 0 + 1271 WT0 679 TIP3 OH2 OT -0.834000 15.9994 0 + 1272 WT0 679 TIP3 H1 HT 0.417000 1.0080 0 + 1273 WT0 679 TIP3 H2 HT 0.417000 1.0080 0 + 1274 WT0 680 TIP3 OH2 OT -0.834000 15.9994 0 + 1275 WT0 680 TIP3 H1 HT 0.417000 1.0080 0 + 1276 WT0 680 TIP3 H2 HT 0.417000 1.0080 0 + 1277 WT0 682 TIP3 OH2 OT -0.834000 15.9994 0 + 1278 WT0 682 TIP3 H1 HT 0.417000 1.0080 0 + 1279 WT0 682 TIP3 H2 HT 0.417000 1.0080 0 + 1280 WT0 684 TIP3 OH2 OT -0.834000 15.9994 0 + 1281 WT0 684 TIP3 H1 HT 0.417000 1.0080 0 + 1282 WT0 684 TIP3 H2 HT 0.417000 1.0080 0 + 1283 WT0 686 TIP3 OH2 OT -0.834000 15.9994 0 + 1284 WT0 686 TIP3 H1 HT 0.417000 1.0080 0 + 1285 WT0 686 TIP3 H2 HT 0.417000 1.0080 0 + 1286 WT0 687 TIP3 OH2 OT -0.834000 15.9994 0 + 1287 WT0 687 TIP3 H1 HT 0.417000 1.0080 0 + 1288 WT0 687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 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711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 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878 TIP3 H2 HT 0.417000 1.0080 0 + 1433 WT0 883 TIP3 OH2 OT -0.834000 15.9994 0 + 1434 WT0 883 TIP3 H1 HT 0.417000 1.0080 0 + 1435 WT0 883 TIP3 H2 HT 0.417000 1.0080 0 + 1436 WT0 887 TIP3 OH2 OT -0.834000 15.9994 0 + 1437 WT0 887 TIP3 H1 HT 0.417000 1.0080 0 + 1438 WT0 887 TIP3 H2 HT 0.417000 1.0080 0 + 1439 WT0 889 TIP3 OH2 OT -0.834000 15.9994 0 + 1440 WT0 889 TIP3 H1 HT 0.417000 1.0080 0 + 1441 WT0 889 TIP3 H2 HT 0.417000 1.0080 0 + 1442 WT0 891 TIP3 OH2 OT -0.834000 15.9994 0 + 1443 WT0 891 TIP3 H1 HT 0.417000 1.0080 0 + 1444 WT0 891 TIP3 H2 HT 0.417000 1.0080 0 + 1445 WT0 894 TIP3 OH2 OT -0.834000 15.9994 0 + 1446 WT0 894 TIP3 H1 HT 0.417000 1.0080 0 + 1447 WT0 894 TIP3 H2 HT 0.417000 1.0080 0 + 1448 WT0 895 TIP3 OH2 OT -0.834000 15.9994 0 + 1449 WT0 895 TIP3 H1 HT 0.417000 1.0080 0 + 1450 WT0 895 TIP3 H2 HT 0.417000 1.0080 0 + 1451 WT0 897 TIP3 OH2 OT -0.834000 15.9994 0 + 1452 WT0 897 TIP3 H1 HT 0.417000 1.0080 0 + 1453 WT0 897 TIP3 H2 HT 0.417000 1.0080 0 + 1454 WT0 899 TIP3 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1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 + 1678 WT0 1060 TIP3 H2 HT 0.417000 1.0080 0 + 1679 WT0 1061 TIP3 OH2 OT -0.834000 15.9994 0 + 1680 WT0 1061 TIP3 H1 HT 0.417000 1.0080 0 + 1681 WT0 1061 TIP3 H2 HT 0.417000 1.0080 0 + 1682 WT0 1062 TIP3 OH2 OT -0.834000 15.9994 0 + 1683 WT0 1062 TIP3 H1 HT 0.417000 1.0080 0 + 1684 WT0 1062 TIP3 H2 HT 0.417000 1.0080 0 + 1685 WT0 1063 TIP3 OH2 OT -0.834000 15.9994 0 + 1686 WT0 1063 TIP3 H1 HT 0.417000 1.0080 0 + 1687 WT0 1063 TIP3 H2 HT 0.417000 1.0080 0 + 1688 WT0 1064 TIP3 OH2 OT -0.834000 15.9994 0 + 1689 WT0 1064 TIP3 H1 HT 0.417000 1.0080 0 + 1690 WT0 1064 TIP3 H2 HT 0.417000 1.0080 0 + 1691 WT0 1065 TIP3 OH2 OT -0.834000 15.9994 0 + 1692 WT0 1065 TIP3 H1 HT 0.417000 1.0080 0 + 1693 WT0 1065 TIP3 H2 HT 0.417000 1.0080 0 + 1694 WT0 1066 TIP3 OH2 OT -0.834000 15.9994 0 + 1695 WT0 1066 TIP3 H1 HT 0.417000 1.0080 0 + 1696 WT0 1066 TIP3 H2 HT 0.417000 1.0080 0 + 1697 WT0 1069 TIP3 OH2 OT -0.834000 15.9994 0 + 1698 WT0 1069 TIP3 H1 HT 0.417000 1.0080 0 + 1699 WT0 1069 TIP3 H2 HT 0.417000 1.0080 0 + 1700 WT0 1076 TIP3 OH2 OT -0.834000 15.9994 0 + 1701 WT0 1076 TIP3 H1 HT 0.417000 1.0080 0 + 1702 WT0 1076 TIP3 H2 HT 0.417000 1.0080 0 + 1703 WT0 1077 TIP3 OH2 OT -0.834000 15.9994 0 + 1704 WT0 1077 TIP3 H1 HT 0.417000 1.0080 0 + 1705 WT0 1077 TIP3 H2 HT 0.417000 1.0080 0 + 1706 WT0 1078 TIP3 OH2 OT -0.834000 15.9994 0 + 1707 WT0 1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 + 2299 WT0 1518 TIP3 H2 HT 0.417000 1.0080 0 + 2300 WT0 1519 TIP3 OH2 OT -0.834000 15.9994 0 + 2301 WT0 1519 TIP3 H1 HT 0.417000 1.0080 0 + 2302 WT0 1519 TIP3 H2 HT 0.417000 1.0080 0 + 2303 WT0 1520 TIP3 OH2 OT -0.834000 15.9994 0 + 2304 WT0 1520 TIP3 H1 HT 0.417000 1.0080 0 + 2305 WT0 1520 TIP3 H2 HT 0.417000 1.0080 0 + 2306 WT0 1522 TIP3 OH2 OT -0.834000 15.9994 0 + 2307 WT0 1522 TIP3 H1 HT 0.417000 1.0080 0 + 2308 WT0 1522 TIP3 H2 HT 0.417000 1.0080 0 + 2309 WT0 1524 TIP3 OH2 OT -0.834000 15.9994 0 + 2310 WT0 1524 TIP3 H1 HT 0.417000 1.0080 0 + 2311 WT0 1524 TIP3 H2 HT 0.417000 1.0080 0 + 2312 WT0 1526 TIP3 OH2 OT -0.834000 15.9994 0 + 2313 WT0 1526 TIP3 H1 HT 0.417000 1.0080 0 + 2314 WT0 1526 TIP3 H2 HT 0.417000 1.0080 0 + 2315 WT0 1527 TIP3 OH2 OT -0.834000 15.9994 0 + 2316 WT0 1527 TIP3 H1 HT 0.417000 1.0080 0 + 2317 WT0 1527 TIP3 H2 HT 0.417000 1.0080 0 + 2318 WT0 1528 TIP3 OH2 OT -0.834000 15.9994 0 + 2319 WT0 1528 TIP3 H1 HT 0.417000 1.0080 0 + 2320 WT0 1528 TIP3 H2 HT 0.417000 1.0080 0 + 2321 WT0 1529 TIP3 OH2 OT -0.834000 15.9994 0 + 2322 WT0 1529 TIP3 H1 HT 0.417000 1.0080 0 + 2323 WT0 1529 TIP3 H2 HT 0.417000 1.0080 0 + 2324 WT0 1531 TIP3 OH2 OT -0.834000 15.9994 0 + 2325 WT0 1531 TIP3 H1 HT 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2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT 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1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 0 + 3291 WT0 2151 TIP3 H1 HT 0.417000 1.0080 0 + 3292 WT0 2151 TIP3 H2 HT 0.417000 1.0080 0 + 3293 WT0 2155 TIP3 OH2 OT -0.834000 15.9994 0 + 3294 WT0 2155 TIP3 H1 HT 0.417000 1.0080 0 + 3295 WT0 2155 TIP3 H2 HT 0.417000 1.0080 0 + 3296 WT0 2159 TIP3 OH2 OT -0.834000 15.9994 0 + 3297 WT0 2159 TIP3 H1 HT 0.417000 1.0080 0 + 3298 WT0 2159 TIP3 H2 HT 0.417000 1.0080 0 + 3299 WT0 2163 TIP3 OH2 OT -0.834000 15.9994 0 + 3300 WT0 2163 TIP3 H1 HT 0.417000 1.0080 0 + 3301 WT0 2163 TIP3 H2 HT 0.417000 1.0080 0 + 3302 WT0 2165 TIP3 OH2 OT -0.834000 15.9994 0 + 3303 WT0 2165 TIP3 H1 HT 0.417000 1.0080 0 + 3304 WT0 2165 TIP3 H2 HT 0.417000 1.0080 0 + 3305 WT0 2167 TIP3 OH2 OT -0.834000 15.9994 0 + 3306 WT0 2167 TIP3 H1 HT 0.417000 1.0080 0 + 3307 WT0 2167 TIP3 H2 HT 0.417000 1.0080 0 + 3308 WT0 2168 TIP3 OH2 OT -0.834000 15.9994 0 + 3309 WT0 2168 TIP3 H1 HT 0.417000 1.0080 0 + 3310 WT0 2168 TIP3 H2 HT 0.417000 1.0080 0 + 3311 WT0 2172 TIP3 OH2 OT -0.834000 15.9994 0 + 3312 WT0 2172 TIP3 H1 HT 0.417000 1.0080 0 + 3313 WT0 2172 TIP3 H2 HT 0.417000 1.0080 0 + 3314 WT0 2180 TIP3 OH2 OT -0.834000 15.9994 0 + 3315 WT0 2180 TIP3 H1 HT 0.417000 1.0080 0 + 3316 WT0 2180 TIP3 H2 HT 0.417000 1.0080 0 + 3317 WT0 2185 TIP3 OH2 OT -0.834000 15.9994 0 + 3318 WT0 2185 TIP3 H1 HT 0.417000 1.0080 0 + 3319 WT0 2185 TIP3 H2 HT 0.417000 1.0080 0 + 3320 WT0 2186 TIP3 OH2 OT -0.834000 15.9994 0 + 3321 WT0 2186 TIP3 H1 HT 0.417000 1.0080 0 + 3322 WT0 2186 TIP3 H2 HT 0.417000 1.0080 0 + 3323 WT0 2187 TIP3 OH2 OT -0.834000 15.9994 0 + 3324 WT0 2187 TIP3 H1 HT 0.417000 1.0080 0 + 3325 WT0 2187 TIP3 H2 HT 0.417000 1.0080 0 + 3326 WT0 2194 TIP3 OH2 OT -0.834000 15.9994 0 + 3327 WT0 2194 TIP3 H1 HT 0.417000 1.0080 0 + 3328 WT0 2194 TIP3 H2 HT 0.417000 1.0080 0 + 3329 WT0 2195 TIP3 OH2 OT -0.834000 15.9994 0 + 3330 WT0 2195 TIP3 H1 HT 0.417000 1.0080 0 + 3331 WT0 2195 TIP3 H2 HT 0.417000 1.0080 0 + 3332 WT0 2197 TIP3 OH2 OT -0.834000 15.9994 0 + 3333 WT0 2197 TIP3 H1 HT 0.417000 1.0080 0 + 3334 WT0 2197 TIP3 H2 HT 0.417000 1.0080 0 + 3335 WT0 2198 TIP3 OH2 OT -0.834000 15.9994 0 + 3336 WT0 2198 TIP3 H1 HT 0.417000 1.0080 0 + 3337 WT0 2198 TIP3 H2 HT 0.417000 1.0080 0 + 3338 WT0 2200 TIP3 OH2 OT -0.834000 15.9994 0 + 3339 WT0 2200 TIP3 H1 HT 0.417000 1.0080 0 + 3340 WT0 2200 TIP3 H2 HT 0.417000 1.0080 0 + 3341 WT0 2208 TIP3 OH2 OT -0.834000 15.9994 0 + 3342 WT0 2208 TIP3 H1 HT 0.417000 1.0080 0 + 3343 WT0 2208 TIP3 H2 HT 0.417000 1.0080 0 + 3344 WT0 2211 TIP3 OH2 OT -0.834000 15.9994 0 + 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3627 WT0 2376 TIP3 H1 HT 0.417000 1.0080 0 + 3628 WT0 2376 TIP3 H2 HT 0.417000 1.0080 0 + 3629 WT0 2377 TIP3 OH2 OT -0.834000 15.9994 0 + 3630 WT0 2377 TIP3 H1 HT 0.417000 1.0080 0 + 3631 WT0 2377 TIP3 H2 HT 0.417000 1.0080 0 + 3632 WT0 2380 TIP3 OH2 OT -0.834000 15.9994 0 + 3633 WT0 2380 TIP3 H1 HT 0.417000 1.0080 0 + 3634 WT0 2380 TIP3 H2 HT 0.417000 1.0080 0 + 3635 WT0 2383 TIP3 OH2 OT -0.834000 15.9994 0 + 3636 WT0 2383 TIP3 H1 HT 0.417000 1.0080 0 + 3637 WT0 2383 TIP3 H2 HT 0.417000 1.0080 0 + 3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 3671 WT0 2405 TIP3 OH2 OT -0.834000 15.9994 0 + 3672 WT0 2405 TIP3 H1 HT 0.417000 1.0080 0 + 3673 WT0 2405 TIP3 H2 HT 0.417000 1.0080 0 + 3674 WT0 2406 TIP3 OH2 OT -0.834000 15.9994 0 + 3675 WT0 2406 TIP3 H1 HT 0.417000 1.0080 0 + 3676 WT0 2406 TIP3 H2 HT 0.417000 1.0080 0 + 3677 WT0 2407 TIP3 OH2 OT -0.834000 15.9994 0 + 3678 WT0 2407 TIP3 H1 HT 0.417000 1.0080 0 + 3679 WT0 2407 TIP3 H2 HT 0.417000 1.0080 0 + 3680 WT0 2408 TIP3 OH2 OT -0.834000 15.9994 0 + 3681 WT0 2408 TIP3 H1 HT 0.417000 1.0080 0 + 3682 WT0 2408 TIP3 H2 HT 0.417000 1.0080 0 + 3683 WT0 2409 TIP3 OH2 OT -0.834000 15.9994 0 + 3684 WT0 2409 TIP3 H1 HT 0.417000 1.0080 0 + 3685 WT0 2409 TIP3 H2 HT 0.417000 1.0080 0 + 3686 WT0 2411 TIP3 OH2 OT -0.834000 15.9994 0 + 3687 WT0 2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 + 3703 WT0 2421 TIP3 H2 HT 0.417000 1.0080 0 + 3704 WT0 2422 TIP3 OH2 OT -0.834000 15.9994 0 + 3705 WT0 2422 TIP3 H1 HT 0.417000 1.0080 0 + 3706 WT0 2422 TIP3 H2 HT 0.417000 1.0080 0 + 3707 WT0 2423 TIP3 OH2 OT -0.834000 15.9994 0 + 3708 WT0 2423 TIP3 H1 HT 0.417000 1.0080 0 + 3709 WT0 2423 TIP3 H2 HT 0.417000 1.0080 0 + 3710 WT0 2424 TIP3 OH2 OT -0.834000 15.9994 0 + 3711 WT0 2424 TIP3 H1 HT 0.417000 1.0080 0 + 3712 WT0 2424 TIP3 H2 HT 0.417000 1.0080 0 + 3713 WT0 2425 TIP3 OH2 OT -0.834000 15.9994 0 + 3714 WT0 2425 TIP3 H1 HT 0.417000 1.0080 0 + 3715 WT0 2425 TIP3 H2 HT 0.417000 1.0080 0 + 3716 WT0 2427 TIP3 OH2 OT -0.834000 15.9994 0 + 3717 WT0 2427 TIP3 H1 HT 0.417000 1.0080 0 + 3718 WT0 2427 TIP3 H2 HT 0.417000 1.0080 0 + 3719 WT0 2428 TIP3 OH2 OT -0.834000 15.9994 0 + 3720 WT0 2428 TIP3 H1 HT 0.417000 1.0080 0 + 3721 WT0 2428 TIP3 H2 HT 0.417000 1.0080 0 + 3722 WT0 2429 TIP3 OH2 OT -0.834000 15.9994 0 + 3723 WT0 2429 TIP3 H1 HT 0.417000 1.0080 0 + 3724 WT0 2429 TIP3 H2 HT 0.417000 1.0080 0 + 3725 WT0 2430 TIP3 OH2 OT -0.834000 15.9994 0 + 3726 WT0 2430 TIP3 H1 HT 0.417000 1.0080 0 + 3727 WT0 2430 TIP3 H2 HT 0.417000 1.0080 0 + 3728 WT0 2432 TIP3 OH2 OT -0.834000 15.9994 0 + 3729 WT0 2432 TIP3 H1 HT 0.417000 1.0080 0 + 3730 WT0 2432 TIP3 H2 HT 0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT 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2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT -0.834000 15.9994 0 + 3948 WT0 2610 TIP3 H1 HT 0.417000 1.0080 0 + 3949 WT0 2610 TIP3 H2 HT 0.417000 1.0080 0 + 3950 WT0 2613 TIP3 OH2 OT -0.834000 15.9994 0 + 3951 WT0 2613 TIP3 H1 HT 0.417000 1.0080 0 + 3952 WT0 2613 TIP3 H2 HT 0.417000 1.0080 0 + 3953 WT0 2616 TIP3 OH2 OT -0.834000 15.9994 0 + 3954 WT0 2616 TIP3 H1 HT 0.417000 1.0080 0 + 3955 WT0 2616 TIP3 H2 HT 0.417000 1.0080 0 + 3956 WT0 2617 TIP3 OH2 OT -0.834000 15.9994 0 + 3957 WT0 2617 TIP3 H1 HT 0.417000 1.0080 0 + 3958 WT0 2617 TIP3 H2 HT 0.417000 1.0080 0 + 3959 WT0 2618 TIP3 OH2 OT -0.834000 15.9994 0 + 3960 WT0 2618 TIP3 H1 HT 0.417000 1.0080 0 + 3961 WT0 2618 TIP3 H2 HT 0.417000 1.0080 0 + 3962 WT0 2628 TIP3 OH2 OT -0.834000 15.9994 0 + 3963 WT0 2628 TIP3 H1 HT 0.417000 1.0080 0 + 3964 WT0 2628 TIP3 H2 HT 0.417000 1.0080 0 + 3965 WT0 2634 TIP3 OH2 OT -0.834000 15.9994 0 + 3966 WT0 2634 TIP3 H1 HT 0.417000 1.0080 0 + 3967 WT0 2634 TIP3 H2 HT 0.417000 1.0080 0 + 3968 WT0 2635 TIP3 OH2 OT -0.834000 15.9994 0 + 3969 WT0 2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 + 3985 WT0 2650 TIP3 H2 HT 0.417000 1.0080 0 + 3986 WT0 2654 TIP3 OH2 OT -0.834000 15.9994 0 + 3987 WT0 2654 TIP3 H1 HT 0.417000 1.0080 0 + 3988 WT0 2654 TIP3 H2 HT 0.417000 1.0080 0 + 3989 WT0 2656 TIP3 OH2 OT -0.834000 15.9994 0 + 3990 WT0 2656 TIP3 H1 HT 0.417000 1.0080 0 + 3991 WT0 2656 TIP3 H2 HT 0.417000 1.0080 0 + 3992 WT0 2657 TIP3 OH2 OT -0.834000 15.9994 0 + 3993 WT0 2657 TIP3 H1 HT 0.417000 1.0080 0 + 3994 WT0 2657 TIP3 H2 HT 0.417000 1.0080 0 + 3995 WT0 2659 TIP3 OH2 OT -0.834000 15.9994 0 + 3996 WT0 2659 TIP3 H1 HT 0.417000 1.0080 0 + 3997 WT0 2659 TIP3 H2 HT 0.417000 1.0080 0 + 3998 WT0 2662 TIP3 OH2 OT -0.834000 15.9994 0 + 3999 WT0 2662 TIP3 H1 HT 0.417000 1.0080 0 + 4000 WT0 2662 TIP3 H2 HT 0.417000 1.0080 0 + 4001 WT0 2667 TIP3 OH2 OT -0.834000 15.9994 0 + 4002 WT0 2667 TIP3 H1 HT 0.417000 1.0080 0 + 4003 WT0 2667 TIP3 H2 HT 0.417000 1.0080 0 + 4004 WT0 2669 TIP3 OH2 OT -0.834000 15.9994 0 + 4005 WT0 2669 TIP3 H1 HT 0.417000 1.0080 0 + 4006 WT0 2669 TIP3 H2 HT 0.417000 1.0080 0 + 4007 WT0 2670 TIP3 OH2 OT -0.834000 15.9994 0 + 4008 WT0 2670 TIP3 H1 HT 0.417000 1.0080 0 + 4009 WT0 2670 TIP3 H2 HT 0.417000 1.0080 0 + 4010 WT0 2673 TIP3 OH2 OT -0.834000 15.9994 0 + 4011 WT0 2673 TIP3 H1 HT 0.417000 1.0080 0 + 4012 WT0 2673 TIP3 H2 HT 0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT -0.834000 15.9994 0 + 4224 WT0 2798 TIP3 H1 HT 0.417000 1.0080 0 + 4225 WT0 2798 TIP3 H2 HT 0.417000 1.0080 0 + 4226 WT0 2801 TIP3 OH2 OT -0.834000 15.9994 0 + 4227 WT0 2801 TIP3 H1 HT 0.417000 1.0080 0 + 4228 WT0 2801 TIP3 H2 HT 0.417000 1.0080 0 + 4229 WT0 2802 TIP3 OH2 OT -0.834000 15.9994 0 + 4230 WT0 2802 TIP3 H1 HT 0.417000 1.0080 0 + 4231 WT0 2802 TIP3 H2 HT 0.417000 1.0080 0 + 4232 WT0 2803 TIP3 OH2 OT -0.834000 15.9994 0 + 4233 WT0 2803 TIP3 H1 HT 0.417000 1.0080 0 + 4234 WT0 2803 TIP3 H2 HT 0.417000 1.0080 0 + 4235 WT0 2805 TIP3 OH2 OT -0.834000 15.9994 0 + 4236 WT0 2805 TIP3 H1 HT 0.417000 1.0080 0 + 4237 WT0 2805 TIP3 H2 HT 0.417000 1.0080 0 + 4238 WT0 2806 TIP3 OH2 OT -0.834000 15.9994 0 + 4239 WT0 2806 TIP3 H1 HT 0.417000 1.0080 0 + 4240 WT0 2806 TIP3 H2 HT 0.417000 1.0080 0 + 4241 WT0 2807 TIP3 OH2 OT -0.834000 15.9994 0 + 4242 WT0 2807 TIP3 H1 HT 0.417000 1.0080 0 + 4243 WT0 2807 TIP3 H2 HT 0.417000 1.0080 0 + 4244 WT0 2808 TIP3 OH2 OT -0.834000 15.9994 0 + 4245 WT0 2808 TIP3 H1 HT 0.417000 1.0080 0 + 4246 WT0 2808 TIP3 H2 HT 0.417000 1.0080 0 + 4247 WT0 2809 TIP3 OH2 OT -0.834000 15.9994 0 + 4248 WT0 2809 TIP3 H1 HT 0.417000 1.0080 0 + 4249 WT0 2809 TIP3 H2 HT 0.417000 1.0080 0 + 4250 WT0 2815 TIP3 OH2 OT -0.834000 15.9994 0 + 4251 WT0 2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 + 4267 WT0 2824 TIP3 H2 HT 0.417000 1.0080 0 + 4268 WT0 2826 TIP3 OH2 OT -0.834000 15.9994 0 + 4269 WT0 2826 TIP3 H1 HT 0.417000 1.0080 0 + 4270 WT0 2826 TIP3 H2 HT 0.417000 1.0080 0 + 4271 WT0 2829 TIP3 OH2 OT -0.834000 15.9994 0 + 4272 WT0 2829 TIP3 H1 HT 0.417000 1.0080 0 + 4273 WT0 2829 TIP3 H2 HT 0.417000 1.0080 0 + 4274 WT0 2830 TIP3 OH2 OT -0.834000 15.9994 0 + 4275 WT0 2830 TIP3 H1 HT 0.417000 1.0080 0 + 4276 WT0 2830 TIP3 H2 HT 0.417000 1.0080 0 + 4277 WT0 2831 TIP3 OH2 OT -0.834000 15.9994 0 + 4278 WT0 2831 TIP3 H1 HT 0.417000 1.0080 0 + 4279 WT0 2831 TIP3 H2 HT 0.417000 1.0080 0 + 4280 WT0 2832 TIP3 OH2 OT -0.834000 15.9994 0 + 4281 WT0 2832 TIP3 H1 HT 0.417000 1.0080 0 + 4282 WT0 2832 TIP3 H2 HT 0.417000 1.0080 0 + 4283 WT0 2834 TIP3 OH2 OT -0.834000 15.9994 0 + 4284 WT0 2834 TIP3 H1 HT 0.417000 1.0080 0 + 4285 WT0 2834 TIP3 H2 HT 0.417000 1.0080 0 + 4286 WT0 2838 TIP3 OH2 OT -0.834000 15.9994 0 + 4287 WT0 2838 TIP3 H1 HT 0.417000 1.0080 0 + 4288 WT0 2838 TIP3 H2 HT 0.417000 1.0080 0 + 4289 WT0 2840 TIP3 OH2 OT -0.834000 15.9994 0 + 4290 WT0 2840 TIP3 H1 HT 0.417000 1.0080 0 + 4291 WT0 2840 TIP3 H2 HT 0.417000 1.0080 0 + 4292 WT0 2842 TIP3 OH2 OT -0.834000 15.9994 0 + 4293 WT0 2842 TIP3 H1 HT 0.417000 1.0080 0 + 4294 WT0 2842 TIP3 H2 HT 0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 TIP3 OH2 OT -0.834000 15.9994 0 + 4311 WT0 2850 TIP3 H1 HT 0.417000 1.0080 0 + 4312 WT0 2850 TIP3 H2 HT 0.417000 1.0080 0 + 4313 WT0 2852 TIP3 OH2 OT -0.834000 15.9994 0 + 4314 WT0 2852 TIP3 H1 HT 0.417000 1.0080 0 + 4315 WT0 2852 TIP3 H2 HT 0.417000 1.0080 0 + 4316 WT0 2857 TIP3 OH2 OT -0.834000 15.9994 0 + 4317 WT0 2857 TIP3 H1 HT 0.417000 1.0080 0 + 4318 WT0 2857 TIP3 H2 HT 0.417000 1.0080 0 + 4319 WT0 2858 TIP3 OH2 OT -0.834000 15.9994 0 + 4320 WT0 2858 TIP3 H1 HT 0.417000 1.0080 0 + 4321 WT0 2858 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4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 1.0080 0 + 4354 WT0 2878 TIP3 H2 HT 0.417000 1.0080 0 + 4355 WT0 2880 TIP3 OH2 OT -0.834000 15.9994 0 + 4356 WT0 2880 TIP3 H1 HT 0.417000 1.0080 0 + 4357 WT0 2880 TIP3 H2 HT 0.417000 1.0080 0 + 4358 WT0 2882 TIP3 OH2 OT -0.834000 15.9994 0 + 4359 WT0 2882 TIP3 H1 HT 0.417000 1.0080 0 + 4360 WT0 2882 TIP3 H2 HT 0.417000 1.0080 0 + 4361 WT0 2883 TIP3 OH2 OT -0.834000 15.9994 0 + 4362 WT0 2883 TIP3 H1 HT 0.417000 1.0080 0 + 4363 WT0 2883 TIP3 H2 HT 0.417000 1.0080 0 + 4364 WT0 2884 TIP3 OH2 OT 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TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT -0.834000 15.9994 0 + 4794 WT0 3192 TIP3 H1 HT 0.417000 1.0080 0 + 4795 WT0 3192 TIP3 H2 HT 0.417000 1.0080 0 + 4796 WT0 3193 TIP3 OH2 OT -0.834000 15.9994 0 + 4797 WT0 3193 TIP3 H1 HT 0.417000 1.0080 0 + 4798 WT0 3193 TIP3 H2 HT 0.417000 1.0080 0 + 4799 WT0 3196 TIP3 OH2 OT -0.834000 15.9994 0 + 4800 WT0 3196 TIP3 H1 HT 0.417000 1.0080 0 + 4801 WT0 3196 TIP3 H2 HT 0.417000 1.0080 0 + 4802 WT0 3197 TIP3 OH2 OT -0.834000 15.9994 0 + 4803 WT0 3197 TIP3 H1 HT 0.417000 1.0080 0 + 4804 WT0 3197 TIP3 H2 HT 0.417000 1.0080 0 + 4805 WT0 3198 TIP3 OH2 OT -0.834000 15.9994 0 + 4806 WT0 3198 TIP3 H1 HT 0.417000 1.0080 0 + 4807 WT0 3198 TIP3 H2 HT 0.417000 1.0080 0 + 4808 WT0 3203 TIP3 OH2 OT -0.834000 15.9994 0 + 4809 WT0 3203 TIP3 H1 HT 0.417000 1.0080 0 + 4810 WT0 3203 TIP3 H2 HT 0.417000 1.0080 0 + 4811 WT0 3205 TIP3 OH2 OT -0.834000 15.9994 0 + 4812 WT0 3205 TIP3 H1 HT 0.417000 1.0080 0 + 4813 WT0 3205 TIP3 H2 HT 0.417000 1.0080 0 + 4814 WT0 3207 TIP3 OH2 OT -0.834000 15.9994 0 + 4815 WT0 3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 + 4831 WT0 3221 TIP3 H2 HT 0.417000 1.0080 0 + 4832 WT0 3223 TIP3 OH2 OT -0.834000 15.9994 0 + 4833 WT0 3223 TIP3 H1 HT 0.417000 1.0080 0 + 4834 WT0 3223 TIP3 H2 HT 0.417000 1.0080 0 + 4835 WT0 3224 TIP3 OH2 OT -0.834000 15.9994 0 + 4836 WT0 3224 TIP3 H1 HT 0.417000 1.0080 0 + 4837 WT0 3224 TIP3 H2 HT 0.417000 1.0080 0 + 4838 WT0 3225 TIP3 OH2 OT -0.834000 15.9994 0 + 4839 WT0 3225 TIP3 H1 HT 0.417000 1.0080 0 + 4840 WT0 3225 TIP3 H2 HT 0.417000 1.0080 0 + 4841 WT0 3226 TIP3 OH2 OT -0.834000 15.9994 0 + 4842 WT0 3226 TIP3 H1 HT 0.417000 1.0080 0 + 4843 WT0 3226 TIP3 H2 HT 0.417000 1.0080 0 + 4844 WT0 3227 TIP3 OH2 OT -0.834000 15.9994 0 + 4845 WT0 3227 TIP3 H1 HT 0.417000 1.0080 0 + 4846 WT0 3227 TIP3 H2 HT 0.417000 1.0080 0 + 4847 WT0 3228 TIP3 OH2 OT -0.834000 15.9994 0 + 4848 WT0 3228 TIP3 H1 HT 0.417000 1.0080 0 + 4849 WT0 3228 TIP3 H2 HT 0.417000 1.0080 0 + 4850 WT0 3233 TIP3 OH2 OT -0.834000 15.9994 0 + 4851 WT0 3233 TIP3 H1 HT 0.417000 1.0080 0 + 4852 WT0 3233 TIP3 H2 HT 0.417000 1.0080 0 + 4853 WT0 3234 TIP3 OH2 OT -0.834000 15.9994 0 + 4854 WT0 3234 TIP3 H1 HT 0.417000 1.0080 0 + 4855 WT0 3234 TIP3 H2 HT 0.417000 1.0080 0 + 4856 WT0 3236 TIP3 OH2 OT -0.834000 15.9994 0 + 4857 WT0 3236 TIP3 H1 HT 0.417000 1.0080 0 + 4858 WT0 3236 TIP3 H2 HT 0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT 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3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 + 5113 WT0 3390 TIP3 H2 HT 0.417000 1.0080 0 + 5114 WT0 3392 TIP3 OH2 OT -0.834000 15.9994 0 + 5115 WT0 3392 TIP3 H1 HT 0.417000 1.0080 0 + 5116 WT0 3392 TIP3 H2 HT 0.417000 1.0080 0 + 5117 WT0 3393 TIP3 OH2 OT -0.834000 15.9994 0 + 5118 WT0 3393 TIP3 H1 HT 0.417000 1.0080 0 + 5119 WT0 3393 TIP3 H2 HT 0.417000 1.0080 0 + 5120 WT0 3396 TIP3 OH2 OT -0.834000 15.9994 0 + 5121 WT0 3396 TIP3 H1 HT 0.417000 1.0080 0 + 5122 WT0 3396 TIP3 H2 HT 0.417000 1.0080 0 + 5123 WT0 3397 TIP3 OH2 OT -0.834000 15.9994 0 + 5124 WT0 3397 TIP3 H1 HT 0.417000 1.0080 0 + 5125 WT0 3397 TIP3 H2 HT 0.417000 1.0080 0 + 5126 WT0 3401 TIP3 OH2 OT -0.834000 15.9994 0 + 5127 WT0 3401 TIP3 H1 HT 0.417000 1.0080 0 + 5128 WT0 3401 TIP3 H2 HT 0.417000 1.0080 0 + 5129 WT0 3402 TIP3 OH2 OT -0.834000 15.9994 0 + 5130 WT0 3402 TIP3 H1 HT 0.417000 1.0080 0 + 5131 WT0 3402 TIP3 H2 HT 0.417000 1.0080 0 + 5132 WT0 3404 TIP3 OH2 OT -0.834000 15.9994 0 + 5133 WT0 3404 TIP3 H1 HT 0.417000 1.0080 0 + 5134 WT0 3404 TIP3 H2 HT 0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT 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3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 + 5416 WT0 3628 TIP3 H2 HT 0.417000 1.0080 0 + 5417 WT0 3629 TIP3 OH2 OT -0.834000 15.9994 0 + 5418 WT0 3629 TIP3 H1 HT 0.417000 1.0080 0 + 5419 WT0 3629 TIP3 H2 HT 0.417000 1.0080 0 + 5420 WT0 3633 TIP3 OH2 OT -0.834000 15.9994 0 + 5421 WT0 3633 TIP3 H1 HT 0.417000 1.0080 0 + 5422 WT0 3633 TIP3 H2 HT 0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT 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3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT -0.834000 15.9994 0 + 5922 WT0 3997 TIP3 H1 HT 0.417000 1.0080 0 + 5923 WT0 3997 TIP3 H2 HT 0.417000 1.0080 0 + 5924 WT0 3998 TIP3 OH2 OT -0.834000 15.9994 0 + 5925 WT0 3998 TIP3 H1 HT 0.417000 1.0080 0 + 5926 WT0 3998 TIP3 H2 HT 0.417000 1.0080 0 + 5927 WT0 3999 TIP3 OH2 OT -0.834000 15.9994 0 + 5928 WT0 3999 TIP3 H1 HT 0.417000 1.0080 0 + 5929 WT0 3999 TIP3 H2 HT 0.417000 1.0080 0 + 5930 WT0 4000 TIP3 OH2 OT -0.834000 15.9994 0 + 5931 WT0 4000 TIP3 H1 HT 0.417000 1.0080 0 + 5932 WT0 4000 TIP3 H2 HT 0.417000 1.0080 0 + 5933 WT0 4001 TIP3 OH2 OT -0.834000 15.9994 0 + 5934 WT0 4001 TIP3 H1 HT 0.417000 1.0080 0 + 5935 WT0 4001 TIP3 H2 HT 0.417000 1.0080 0 + 5936 WT0 4002 TIP3 OH2 OT -0.834000 15.9994 0 + 5937 WT0 4002 TIP3 H1 HT 0.417000 1.0080 0 + 5938 WT0 4002 TIP3 H2 HT 0.417000 1.0080 0 + 5939 WT0 4004 TIP3 OH2 OT -0.834000 15.9994 0 + 5940 WT0 4004 TIP3 H1 HT 0.417000 1.0080 0 + 5941 WT0 4004 TIP3 H2 HT 0.417000 1.0080 0 + 5942 WT0 4005 TIP3 OH2 OT -0.834000 15.9994 0 + 5943 WT0 4005 TIP3 H1 HT 0.417000 1.0080 0 + 5944 WT0 4005 TIP3 H2 HT 0.417000 1.0080 0 + 5945 WT0 4006 TIP3 OH2 OT -0.834000 15.9994 0 + 5946 WT0 4006 TIP3 H1 HT 0.417000 1.0080 0 + 5947 WT0 4006 TIP3 H2 HT 0.417000 1.0080 0 + 5948 WT0 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6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 1.0080 0 + 6046 WT0 4063 TIP3 H2 HT 0.417000 1.0080 0 + 6047 WT0 4064 TIP3 OH2 OT -0.834000 15.9994 0 + 6048 WT0 4064 TIP3 H1 HT 0.417000 1.0080 0 + 6049 WT0 4064 TIP3 H2 HT 0.417000 1.0080 0 + 6050 WT0 4065 TIP3 OH2 OT -0.834000 15.9994 0 + 6051 WT0 4065 TIP3 H1 HT 0.417000 1.0080 0 + 6052 WT0 4065 TIP3 H2 HT 0.417000 1.0080 0 + 6053 WT0 4067 TIP3 OH2 OT -0.834000 15.9994 0 + 6054 WT0 4067 TIP3 H1 HT 0.417000 1.0080 0 + 6055 WT0 4067 TIP3 H2 HT 0.417000 1.0080 0 + 6056 WT0 4068 TIP3 OH2 OT 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6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 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4172 TIP3 OH2 OT -0.834000 15.9994 0 + 6231 WT0 4172 TIP3 H1 HT 0.417000 1.0080 0 + 6232 WT0 4172 TIP3 H2 HT 0.417000 1.0080 0 + 6233 WT0 4176 TIP3 OH2 OT -0.834000 15.9994 0 + 6234 WT0 4176 TIP3 H1 HT 0.417000 1.0080 0 + 6235 WT0 4176 TIP3 H2 HT 0.417000 1.0080 0 + 6236 WT0 4179 TIP3 OH2 OT -0.834000 15.9994 0 + 6237 WT0 4179 TIP3 H1 HT 0.417000 1.0080 0 + 6238 WT0 4179 TIP3 H2 HT 0.417000 1.0080 0 + 6239 WT0 4181 TIP3 OH2 OT -0.834000 15.9994 0 + 6240 WT0 4181 TIP3 H1 HT 0.417000 1.0080 0 + 6241 WT0 4181 TIP3 H2 HT 0.417000 1.0080 0 + 6242 WT0 4182 TIP3 OH2 OT -0.834000 15.9994 0 + 6243 WT0 4182 TIP3 H1 HT 0.417000 1.0080 0 + 6244 WT0 4182 TIP3 H2 HT 0.417000 1.0080 0 + 6245 WT0 4183 TIP3 OH2 OT -0.834000 15.9994 0 + 6246 WT0 4183 TIP3 H1 HT 0.417000 1.0080 0 + 6247 WT0 4183 TIP3 H2 HT 0.417000 1.0080 0 + 6248 WT0 4184 TIP3 OH2 OT -0.834000 15.9994 0 + 6249 WT0 4184 TIP3 H1 HT 0.417000 1.0080 0 + 6250 WT0 4184 TIP3 H2 HT 0.417000 1.0080 0 + 6251 WT0 4186 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6274 WT0 4198 TIP3 H2 HT 0.417000 1.0080 0 + 6275 WT0 4200 TIP3 OH2 OT -0.834000 15.9994 0 + 6276 WT0 4200 TIP3 H1 HT 0.417000 1.0080 0 + 6277 WT0 4200 TIP3 H2 HT 0.417000 1.0080 0 + 6278 WT0 4201 TIP3 OH2 OT -0.834000 15.9994 0 + 6279 WT0 4201 TIP3 H1 HT 0.417000 1.0080 0 + 6280 WT0 4201 TIP3 H2 HT 0.417000 1.0080 0 + 6281 WT0 4202 TIP3 OH2 OT -0.834000 15.9994 0 + 6282 WT0 4202 TIP3 H1 HT 0.417000 1.0080 0 + 6283 WT0 4202 TIP3 H2 HT 0.417000 1.0080 0 + 6284 WT0 4205 TIP3 OH2 OT -0.834000 15.9994 0 + 6285 WT0 4205 TIP3 H1 HT 0.417000 1.0080 0 + 6286 WT0 4205 TIP3 H2 HT 0.417000 1.0080 0 + 6287 WT0 4206 TIP3 OH2 OT -0.834000 15.9994 0 + 6288 WT0 4206 TIP3 H1 HT 0.417000 1.0080 0 + 6289 WT0 4206 TIP3 H2 HT 0.417000 1.0080 0 + 6290 WT0 4207 TIP3 OH2 OT -0.834000 15.9994 0 + 6291 WT0 4207 TIP3 H1 HT 0.417000 1.0080 0 + 6292 WT0 4207 TIP3 H2 HT 0.417000 1.0080 0 + 6293 WT0 4208 TIP3 OH2 OT -0.834000 15.9994 0 + 6294 WT0 4208 TIP3 H1 HT 0.417000 1.0080 0 + 6295 WT0 4208 TIP3 H2 HT 0.417000 1.0080 0 + 6296 WT0 4209 TIP3 OH2 OT -0.834000 15.9994 0 + 6297 WT0 4209 TIP3 H1 HT 0.417000 1.0080 0 + 6298 WT0 4209 TIP3 H2 HT 0.417000 1.0080 0 + 6299 WT0 4210 TIP3 OH2 OT -0.834000 15.9994 0 + 6300 WT0 4210 TIP3 H1 HT 0.417000 1.0080 0 + 6301 WT0 4210 TIP3 H2 HT 0.417000 1.0080 0 + 6302 WT0 4211 TIP3 OH2 OT -0.834000 15.9994 0 + 6303 WT0 4211 TIP3 H1 HT 0.417000 1.0080 0 + 6304 WT0 4211 TIP3 H2 HT 0.417000 1.0080 0 + 6305 WT0 4212 TIP3 OH2 OT -0.834000 15.9994 0 + 6306 WT0 4212 TIP3 H1 HT 0.417000 1.0080 0 + 6307 WT0 4212 TIP3 H2 HT 0.417000 1.0080 0 + 6308 WT0 4213 TIP3 OH2 OT -0.834000 15.9994 0 + 6309 WT0 4213 TIP3 H1 HT 0.417000 1.0080 0 + 6310 WT0 4213 TIP3 H2 HT 0.417000 1.0080 0 + 6311 WT0 4215 TIP3 OH2 OT -0.834000 15.9994 0 + 6312 WT0 4215 TIP3 H1 HT 0.417000 1.0080 0 + 6313 WT0 4215 TIP3 H2 HT 0.417000 1.0080 0 + 6314 WT0 4216 TIP3 OH2 OT -0.834000 15.9994 0 + 6315 WT0 4216 TIP3 H1 HT 0.417000 1.0080 0 + 6316 WT0 4216 TIP3 H2 HT 0.417000 1.0080 0 + 6317 WT0 4218 TIP3 OH2 OT -0.834000 15.9994 0 + 6318 WT0 4218 TIP3 H1 HT 0.417000 1.0080 0 + 6319 WT0 4218 TIP3 H2 HT 0.417000 1.0080 0 + 6320 WT0 4219 TIP3 OH2 OT -0.834000 15.9994 0 + 6321 WT0 4219 TIP3 H1 HT 0.417000 1.0080 0 + 6322 WT0 4219 TIP3 H2 HT 0.417000 1.0080 0 + 6323 WT0 4224 TIP3 OH2 OT -0.834000 15.9994 0 + 6324 WT0 4224 TIP3 H1 HT 0.417000 1.0080 0 + 6325 WT0 4224 TIP3 H2 HT 0.417000 1.0080 0 + 6326 WT0 4225 TIP3 OH2 OT -0.834000 15.9994 0 + 6327 WT0 4225 TIP3 H1 HT 0.417000 1.0080 0 + 6328 WT0 4225 TIP3 H2 HT 0.417000 1.0080 0 + 6329 WT0 4226 TIP3 OH2 OT -0.834000 15.9994 0 + 6330 WT0 4226 TIP3 H1 HT 0.417000 1.0080 0 + 6331 WT0 4226 TIP3 H2 HT 0.417000 1.0080 0 + 6332 WT0 4227 TIP3 OH2 OT -0.834000 15.9994 0 + 6333 WT0 4227 TIP3 H1 HT 0.417000 1.0080 0 + 6334 WT0 4227 TIP3 H2 HT 0.417000 1.0080 0 + 6335 WT0 4228 TIP3 OH2 OT -0.834000 15.9994 0 + 6336 WT0 4228 TIP3 H1 HT 0.417000 1.0080 0 + 6337 WT0 4228 TIP3 H2 HT 0.417000 1.0080 0 + 6338 WT0 4229 TIP3 OH2 OT -0.834000 15.9994 0 + 6339 WT0 4229 TIP3 H1 HT 0.417000 1.0080 0 + 6340 WT0 4229 TIP3 H2 HT 0.417000 1.0080 0 + 6341 WT0 4230 TIP3 OH2 OT -0.834000 15.9994 0 + 6342 WT0 4230 TIP3 H1 HT 0.417000 1.0080 0 + 6343 WT0 4230 TIP3 H2 HT 0.417000 1.0080 0 + 6344 WT0 4232 TIP3 OH2 OT -0.834000 15.9994 0 + 6345 WT0 4232 TIP3 H1 HT 0.417000 1.0080 0 + 6346 WT0 4232 TIP3 H2 HT 0.417000 1.0080 0 + 6347 WT0 4233 TIP3 OH2 OT -0.834000 15.9994 0 + 6348 WT0 4233 TIP3 H1 HT 0.417000 1.0080 0 + 6349 WT0 4233 TIP3 H2 HT 0.417000 1.0080 0 + 6350 WT0 4234 TIP3 OH2 OT -0.834000 15.9994 0 + 6351 WT0 4234 TIP3 H1 HT 0.417000 1.0080 0 + 6352 WT0 4234 TIP3 H2 HT 0.417000 1.0080 0 + 6353 WT0 4235 TIP3 OH2 OT -0.834000 15.9994 0 + 6354 WT0 4235 TIP3 H1 HT 0.417000 1.0080 0 + 6355 WT0 4235 TIP3 H2 HT 0.417000 1.0080 0 + 6356 WT0 4236 TIP3 OH2 OT -0.834000 15.9994 0 + 6357 WT0 4236 TIP3 H1 HT 0.417000 1.0080 0 + 6358 WT0 4236 TIP3 H2 HT 0.417000 1.0080 0 + 6359 WT0 4238 TIP3 OH2 OT -0.834000 15.9994 0 + 6360 WT0 4238 TIP3 H1 HT 0.417000 1.0080 0 + 6361 WT0 4238 TIP3 H2 HT 0.417000 1.0080 0 + 6362 WT0 4243 TIP3 OH2 OT -0.834000 15.9994 0 + 6363 WT0 4243 TIP3 H1 HT 0.417000 1.0080 0 + 6364 WT0 4243 TIP3 H2 HT 0.417000 1.0080 0 + 6365 WT0 4245 TIP3 OH2 OT -0.834000 15.9994 0 + 6366 WT0 4245 TIP3 H1 HT 0.417000 1.0080 0 + 6367 WT0 4245 TIP3 H2 HT 0.417000 1.0080 0 + 6368 WT0 4247 TIP3 OH2 OT -0.834000 15.9994 0 + 6369 WT0 4247 TIP3 H1 HT 0.417000 1.0080 0 + 6370 WT0 4247 TIP3 H2 HT 0.417000 1.0080 0 + 6371 WT0 4248 TIP3 OH2 OT -0.834000 15.9994 0 + 6372 WT0 4248 TIP3 H1 HT 0.417000 1.0080 0 + 6373 WT0 4248 TIP3 H2 HT 0.417000 1.0080 0 + 6374 WT0 4249 TIP3 OH2 OT -0.834000 15.9994 0 + 6375 WT0 4249 TIP3 H1 HT 0.417000 1.0080 0 + 6376 WT0 4249 TIP3 H2 HT 0.417000 1.0080 0 + 6377 WT0 4251 TIP3 OH2 OT -0.834000 15.9994 0 + 6378 WT0 4251 TIP3 H1 HT 0.417000 1.0080 0 + 6379 WT0 4251 TIP3 H2 HT 0.417000 1.0080 0 + 6380 WT0 4255 TIP3 OH2 OT -0.834000 15.9994 0 + 6381 WT0 4255 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 6404 WT0 4271 TIP3 OH2 OT -0.834000 15.9994 0 + 6405 WT0 4271 TIP3 H1 HT 0.417000 1.0080 0 + 6406 WT0 4271 TIP3 H2 HT 0.417000 1.0080 0 + 6407 WT0 4272 TIP3 OH2 OT -0.834000 15.9994 0 + 6408 WT0 4272 TIP3 H1 HT 0.417000 1.0080 0 + 6409 WT0 4272 TIP3 H2 HT 0.417000 1.0080 0 + 6410 WT0 4274 TIP3 OH2 OT -0.834000 15.9994 0 + 6411 WT0 4274 TIP3 H1 HT 0.417000 1.0080 0 + 6412 WT0 4274 TIP3 H2 HT 0.417000 1.0080 0 + 6413 WT0 4277 TIP3 OH2 OT -0.834000 15.9994 0 + 6414 WT0 4277 TIP3 H1 HT 0.417000 1.0080 0 + 6415 WT0 4277 TIP3 H2 HT 0.417000 1.0080 0 + 6416 WT0 4278 TIP3 OH2 OT -0.834000 15.9994 0 + 6417 WT0 4278 TIP3 H1 HT 0.417000 1.0080 0 + 6418 WT0 4278 TIP3 H2 HT 0.417000 1.0080 0 + 6419 WT0 4282 TIP3 OH2 OT -0.834000 15.9994 0 + 6420 WT0 4282 TIP3 H1 HT 0.417000 1.0080 0 + 6421 WT0 4282 TIP3 H2 HT 0.417000 1.0080 0 + 6422 WT0 4283 TIP3 OH2 OT -0.834000 15.9994 0 + 6423 WT0 4283 TIP3 H1 HT 0.417000 1.0080 0 + 6424 WT0 4283 TIP3 H2 HT 0.417000 1.0080 0 + 6425 WT0 4287 TIP3 OH2 OT -0.834000 15.9994 0 + 6426 WT0 4287 TIP3 H1 HT 0.417000 1.0080 0 + 6427 WT0 4287 TIP3 H2 HT 0.417000 1.0080 0 + 6428 WT0 4288 TIP3 OH2 OT -0.834000 15.9994 0 + 6429 WT0 4288 TIP3 H1 HT 0.417000 1.0080 0 + 6430 WT0 4288 TIP3 H2 HT 0.417000 1.0080 0 + 6431 WT0 4291 TIP3 OH2 OT -0.834000 15.9994 0 + 6432 WT0 4291 TIP3 H1 HT 0.417000 1.0080 0 + 6433 WT0 4291 TIP3 H2 HT 0.417000 1.0080 0 + 6434 WT0 4292 TIP3 OH2 OT -0.834000 15.9994 0 + 6435 WT0 4292 TIP3 H1 HT 0.417000 1.0080 0 + 6436 WT0 4292 TIP3 H2 HT 0.417000 1.0080 0 + 6437 WT0 4293 TIP3 OH2 OT -0.834000 15.9994 0 + 6438 WT0 4293 TIP3 H1 HT 0.417000 1.0080 0 + 6439 WT0 4293 TIP3 H2 HT 0.417000 1.0080 0 + 6440 WT0 4294 TIP3 OH2 OT -0.834000 15.9994 0 + 6441 WT0 4294 TIP3 H1 HT 0.417000 1.0080 0 + 6442 WT0 4294 TIP3 H2 HT 0.417000 1.0080 0 + 6443 WT0 4295 TIP3 OH2 OT -0.834000 15.9994 0 + 6444 WT0 4295 TIP3 H1 HT 0.417000 1.0080 0 + 6445 WT0 4295 TIP3 H2 HT 0.417000 1.0080 0 + 6446 WT0 4296 TIP3 OH2 OT -0.834000 15.9994 0 + 6447 WT0 4296 TIP3 H1 HT 0.417000 1.0080 0 + 6448 WT0 4296 TIP3 H2 HT 0.417000 1.0080 0 + 6449 WT0 4297 TIP3 OH2 OT -0.834000 15.9994 0 + 6450 WT0 4297 TIP3 H1 HT 0.417000 1.0080 0 + 6451 WT0 4297 TIP3 H2 HT 0.417000 1.0080 0 + 6452 WT0 4298 TIP3 OH2 OT -0.834000 15.9994 0 + 6453 WT0 4298 TIP3 H1 HT 0.417000 1.0080 0 + 6454 WT0 4298 TIP3 H2 HT 0.417000 1.0080 0 + 6455 WT0 4304 TIP3 OH2 OT -0.834000 15.9994 0 + 6456 WT0 4304 TIP3 H1 HT 0.417000 1.0080 0 + 6457 WT0 4304 TIP3 H2 HT 0.417000 1.0080 0 + 6458 WT0 4306 TIP3 OH2 OT -0.834000 15.9994 0 + 6459 WT0 4306 TIP3 H1 HT 0.417000 1.0080 0 + 6460 WT0 4306 TIP3 H2 HT 0.417000 1.0080 0 + 6461 WT0 4307 TIP3 OH2 OT -0.834000 15.9994 0 + 6462 WT0 4307 TIP3 H1 HT 0.417000 1.0080 0 + 6463 WT0 4307 TIP3 H2 HT 0.417000 1.0080 0 + 6464 WT0 4311 TIP3 OH2 OT -0.834000 15.9994 0 + 6465 WT0 4311 TIP3 H1 HT 0.417000 1.0080 0 + 6466 WT0 4311 TIP3 H2 HT 0.417000 1.0080 0 + 6467 WT0 4313 TIP3 OH2 OT -0.834000 15.9994 0 + 6468 WT0 4313 TIP3 H1 HT 0.417000 1.0080 0 + 6469 WT0 4313 TIP3 H2 HT 0.417000 1.0080 0 + 6470 WT0 4319 TIP3 OH2 OT -0.834000 15.9994 0 + 6471 WT0 4319 TIP3 H1 HT 0.417000 1.0080 0 + 6472 WT0 4319 TIP3 H2 HT 0.417000 1.0080 0 + 6473 WT0 4321 TIP3 OH2 OT -0.834000 15.9994 0 + 6474 WT0 4321 TIP3 H1 HT 0.417000 1.0080 0 + 6475 WT0 4321 TIP3 H2 HT 0.417000 1.0080 0 + 6476 WT0 4328 TIP3 OH2 OT -0.834000 15.9994 0 + 6477 WT0 4328 TIP3 H1 HT 0.417000 1.0080 0 + 6478 WT0 4328 TIP3 H2 HT 0.417000 1.0080 0 + 6479 WT0 4336 TIP3 OH2 OT -0.834000 15.9994 0 + 6480 WT0 4336 TIP3 H1 HT 0.417000 1.0080 0 + 6481 WT0 4336 TIP3 H2 HT 0.417000 1.0080 0 + 6482 WT0 4337 TIP3 OH2 OT -0.834000 15.9994 0 + 6483 WT0 4337 TIP3 H1 HT 0.417000 1.0080 0 + 6484 WT0 4337 TIP3 H2 HT 0.417000 1.0080 0 + 6485 WT0 4339 TIP3 OH2 OT -0.834000 15.9994 0 + 6486 WT0 4339 TIP3 H1 HT 0.417000 1.0080 0 + 6487 WT0 4339 TIP3 H2 HT 0.417000 1.0080 0 + 6488 WT0 4340 TIP3 OH2 OT -0.834000 15.9994 0 + 6489 WT0 4340 TIP3 H1 HT 0.417000 1.0080 0 + 6490 WT0 4340 TIP3 H2 HT 0.417000 1.0080 0 + 6491 WT0 4354 TIP3 OH2 OT -0.834000 15.9994 0 + 6492 WT0 4354 TIP3 H1 HT 0.417000 1.0080 0 + 6493 WT0 4354 TIP3 H2 HT 0.417000 1.0080 0 + 6494 WT0 4356 TIP3 OH2 OT -0.834000 15.9994 0 + 6495 WT0 4356 TIP3 H1 HT 0.417000 1.0080 0 + 6496 WT0 4356 TIP3 H2 HT 0.417000 1.0080 0 + 6497 WT0 4361 TIP3 OH2 OT -0.834000 15.9994 0 + 6498 WT0 4361 TIP3 H1 HT 0.417000 1.0080 0 + 6499 WT0 4361 TIP3 H2 HT 0.417000 1.0080 0 + 6500 WT0 4374 TIP3 OH2 OT -0.834000 15.9994 0 + 6501 WT0 4374 TIP3 H1 HT 0.417000 1.0080 0 + 6502 WT0 4374 TIP3 H2 HT 0.417000 1.0080 0 + 6503 WT0 4379 TIP3 OH2 OT -0.834000 15.9994 0 + 6504 WT0 4379 TIP3 H1 HT 0.417000 1.0080 0 + 6505 WT0 4379 TIP3 H2 HT 0.417000 1.0080 0 + 6506 WT0 4380 TIP3 OH2 OT -0.834000 15.9994 0 + 6507 WT0 4380 TIP3 H1 HT 0.417000 1.0080 0 + 6508 WT0 4380 TIP3 H2 HT 0.417000 1.0080 0 + 6509 WT0 4382 TIP3 OH2 OT -0.834000 15.9994 0 + 6510 WT0 4382 TIP3 H1 HT 0.417000 1.0080 0 + 6511 WT0 4382 TIP3 H2 HT 0.417000 1.0080 0 + 6512 WT0 4394 TIP3 OH2 OT -0.834000 15.9994 0 + 6513 WT0 4394 TIP3 H1 HT 0.417000 1.0080 0 + 6514 WT0 4394 TIP3 H2 HT 0.417000 1.0080 0 + 6515 WT0 4396 TIP3 OH2 OT -0.834000 15.9994 0 + 6516 WT0 4396 TIP3 H1 HT 0.417000 1.0080 0 + 6517 WT0 4396 TIP3 H2 HT 0.417000 1.0080 0 + 6518 WT0 4401 TIP3 OH2 OT -0.834000 15.9994 0 + 6519 WT0 4401 TIP3 H1 HT 0.417000 1.0080 0 + 6520 WT0 4401 TIP3 H2 HT 0.417000 1.0080 0 + 6521 WT0 4404 TIP3 OH2 OT -0.834000 15.9994 0 + 6522 WT0 4404 TIP3 H1 HT 0.417000 1.0080 0 + 6523 WT0 4404 TIP3 H2 HT 0.417000 1.0080 0 + 6524 WT0 4407 TIP3 OH2 OT -0.834000 15.9994 0 + 6525 WT0 4407 TIP3 H1 HT 0.417000 1.0080 0 + 6526 WT0 4407 TIP3 H2 HT 0.417000 1.0080 0 + 6527 WT0 4414 TIP3 OH2 OT -0.834000 15.9994 0 + 6528 WT0 4414 TIP3 H1 HT 0.417000 1.0080 0 + 6529 WT0 4414 TIP3 H2 HT 0.417000 1.0080 0 + 6530 WT0 4415 TIP3 OH2 OT -0.834000 15.9994 0 + 6531 WT0 4415 TIP3 H1 HT 0.417000 1.0080 0 + 6532 WT0 4415 TIP3 H2 HT 0.417000 1.0080 0 + 6533 WT0 4419 TIP3 OH2 OT -0.834000 15.9994 0 + 6534 WT0 4419 TIP3 H1 HT 0.417000 1.0080 0 + 6535 WT0 4419 TIP3 H2 HT 0.417000 1.0080 0 + 6536 WT0 4421 TIP3 OH2 OT -0.834000 15.9994 0 + 6537 WT0 4421 TIP3 H1 HT 0.417000 1.0080 0 + 6538 WT0 4421 TIP3 H2 HT 0.417000 1.0080 0 + 6539 WT0 4422 TIP3 OH2 OT -0.834000 15.9994 0 + 6540 WT0 4422 TIP3 H1 HT 0.417000 1.0080 0 + 6541 WT0 4422 TIP3 H2 HT 0.417000 1.0080 0 + 6542 WT0 4432 TIP3 OH2 OT -0.834000 15.9994 0 + 6543 WT0 4432 TIP3 H1 HT 0.417000 1.0080 0 + 6544 WT0 4432 TIP3 H2 HT 0.417000 1.0080 0 + 6545 WT0 4434 TIP3 OH2 OT -0.834000 15.9994 0 + 6546 WT0 4434 TIP3 H1 HT 0.417000 1.0080 0 + 6547 WT0 4434 TIP3 H2 HT 0.417000 1.0080 0 + 6548 WT0 4437 TIP3 OH2 OT -0.834000 15.9994 0 + 6549 WT0 4437 TIP3 H1 HT 0.417000 1.0080 0 + 6550 WT0 4437 TIP3 H2 HT 0.417000 1.0080 0 + 6551 WT0 4441 TIP3 OH2 OT -0.834000 15.9994 0 + 6552 WT0 4441 TIP3 H1 HT 0.417000 1.0080 0 + 6553 WT0 4441 TIP3 H2 HT 0.417000 1.0080 0 + 6554 WT0 4442 TIP3 OH2 OT -0.834000 15.9994 0 + 6555 WT0 4442 TIP3 H1 HT 0.417000 1.0080 0 + 6556 WT0 4442 TIP3 H2 HT 0.417000 1.0080 0 + 6557 WT0 4443 TIP3 OH2 OT -0.834000 15.9994 0 + 6558 WT0 4443 TIP3 H1 HT 0.417000 1.0080 0 + 6559 WT0 4443 TIP3 H2 HT 0.417000 1.0080 0 + 6560 WT0 4446 TIP3 OH2 OT -0.834000 15.9994 0 + 6561 WT0 4446 TIP3 H1 HT 0.417000 1.0080 0 + 6562 WT0 4446 TIP3 H2 HT 0.417000 1.0080 0 + 6563 WT0 4451 TIP3 OH2 OT -0.834000 15.9994 0 + 6564 WT0 4451 TIP3 H1 HT 0.417000 1.0080 0 + 6565 WT0 4451 TIP3 H2 HT 0.417000 1.0080 0 + 6566 WT0 4453 TIP3 OH2 OT -0.834000 15.9994 0 + 6567 WT0 4453 TIP3 H1 HT 0.417000 1.0080 0 + 6568 WT0 4453 TIP3 H2 HT 0.417000 1.0080 0 + 6569 WT0 4455 TIP3 OH2 OT -0.834000 15.9994 0 + 6570 WT0 4455 TIP3 H1 HT 0.417000 1.0080 0 + 6571 WT0 4455 TIP3 H2 HT 0.417000 1.0080 0 + 6572 WT0 4456 TIP3 OH2 OT -0.834000 15.9994 0 + 6573 WT0 4456 TIP3 H1 HT 0.417000 1.0080 0 + 6574 WT0 4456 TIP3 H2 HT 0.417000 1.0080 0 + 6575 WT0 4457 TIP3 OH2 OT -0.834000 15.9994 0 + 6576 WT0 4457 TIP3 H1 HT 0.417000 1.0080 0 + 6577 WT0 4457 TIP3 H2 HT 0.417000 1.0080 0 + 6578 WT0 4459 TIP3 OH2 OT -0.834000 15.9994 0 + 6579 WT0 4459 TIP3 H1 HT 0.417000 1.0080 0 + 6580 WT0 4459 TIP3 H2 HT 0.417000 1.0080 0 + 6581 WT0 4460 TIP3 OH2 OT -0.834000 15.9994 0 + 6582 WT0 4460 TIP3 H1 HT 0.417000 1.0080 0 + 6583 WT0 4460 TIP3 H2 HT 0.417000 1.0080 0 + 6584 WT0 4461 TIP3 OH2 OT -0.834000 15.9994 0 + 6585 WT0 4461 TIP3 H1 HT 0.417000 1.0080 0 + 6586 WT0 4461 TIP3 H2 HT 0.417000 1.0080 0 + 6587 WT0 4462 TIP3 OH2 OT -0.834000 15.9994 0 + 6588 WT0 4462 TIP3 H1 HT 0.417000 1.0080 0 + 6589 WT0 4462 TIP3 H2 HT 0.417000 1.0080 0 + 6590 WT0 4463 TIP3 OH2 OT -0.834000 15.9994 0 + 6591 WT0 4463 TIP3 H1 HT 0.417000 1.0080 0 + 6592 WT0 4463 TIP3 H2 HT 0.417000 1.0080 0 + 6593 WT0 4465 TIP3 OH2 OT -0.834000 15.9994 0 + 6594 WT0 4465 TIP3 H1 HT 0.417000 1.0080 0 + 6595 WT0 4465 TIP3 H2 HT 0.417000 1.0080 0 + 6596 WT0 4466 TIP3 OH2 OT -0.834000 15.9994 0 + 6597 WT0 4466 TIP3 H1 HT 0.417000 1.0080 0 + 6598 WT0 4466 TIP3 H2 HT 0.417000 1.0080 0 + 6599 WT0 4469 TIP3 OH2 OT -0.834000 15.9994 0 + 6600 WT0 4469 TIP3 H1 HT 0.417000 1.0080 0 + 6601 WT0 4469 TIP3 H2 HT 0.417000 1.0080 0 + 6602 WT0 4470 TIP3 OH2 OT -0.834000 15.9994 0 + 6603 WT0 4470 TIP3 H1 HT 0.417000 1.0080 0 + 6604 WT0 4470 TIP3 H2 HT 0.417000 1.0080 0 + 6605 WT0 4473 TIP3 OH2 OT -0.834000 15.9994 0 + 6606 WT0 4473 TIP3 H1 HT 0.417000 1.0080 0 + 6607 WT0 4473 TIP3 H2 HT 0.417000 1.0080 0 + 6608 WT0 4474 TIP3 OH2 OT -0.834000 15.9994 0 + 6609 WT0 4474 TIP3 H1 HT 0.417000 1.0080 0 + 6610 WT0 4474 TIP3 H2 HT 0.417000 1.0080 0 + 6611 WT0 4477 TIP3 OH2 OT -0.834000 15.9994 0 + 6612 WT0 4477 TIP3 H1 HT 0.417000 1.0080 0 + 6613 WT0 4477 TIP3 H2 HT 0.417000 1.0080 0 + 6614 WT0 4478 TIP3 OH2 OT -0.834000 15.9994 0 + 6615 WT0 4478 TIP3 H1 HT 0.417000 1.0080 0 + 6616 WT0 4478 TIP3 H2 HT 0.417000 1.0080 0 + 6617 WT0 4479 TIP3 OH2 OT -0.834000 15.9994 0 + 6618 WT0 4479 TIP3 H1 HT 0.417000 1.0080 0 + 6619 WT0 4479 TIP3 H2 HT 0.417000 1.0080 0 + 6620 WT0 4482 TIP3 OH2 OT 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4500 TIP3 H1 HT 0.417000 1.0080 0 + 6643 WT0 4500 TIP3 H2 HT 0.417000 1.0080 0 + 6644 WT0 4501 TIP3 OH2 OT -0.834000 15.9994 0 + 6645 WT0 4501 TIP3 H1 HT 0.417000 1.0080 0 + 6646 WT0 4501 TIP3 H2 HT 0.417000 1.0080 0 + 6647 WT0 4502 TIP3 OH2 OT -0.834000 15.9994 0 + 6648 WT0 4502 TIP3 H1 HT 0.417000 1.0080 0 + 6649 WT0 4502 TIP3 H2 HT 0.417000 1.0080 0 + 6650 WT0 4504 TIP3 OH2 OT -0.834000 15.9994 0 + 6651 WT0 4504 TIP3 H1 HT 0.417000 1.0080 0 + 6652 WT0 4504 TIP3 H2 HT 0.417000 1.0080 0 + 6653 WT0 4505 TIP3 OH2 OT -0.834000 15.9994 0 + 6654 WT0 4505 TIP3 H1 HT 0.417000 1.0080 0 + 6655 WT0 4505 TIP3 H2 HT 0.417000 1.0080 0 + 6656 WT0 4506 TIP3 OH2 OT -0.834000 15.9994 0 + 6657 WT0 4506 TIP3 H1 HT 0.417000 1.0080 0 + 6658 WT0 4506 TIP3 H2 HT 0.417000 1.0080 0 + 6659 WT0 4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 6686 WT0 4520 TIP3 OH2 OT -0.834000 15.9994 0 + 6687 WT0 4520 TIP3 H1 HT 0.417000 1.0080 0 + 6688 WT0 4520 TIP3 H2 HT 0.417000 1.0080 0 + 6689 WT0 4522 TIP3 OH2 OT -0.834000 15.9994 0 + 6690 WT0 4522 TIP3 H1 HT 0.417000 1.0080 0 + 6691 WT0 4522 TIP3 H2 HT 0.417000 1.0080 0 + 6692 WT0 4523 TIP3 OH2 OT -0.834000 15.9994 0 + 6693 WT0 4523 TIP3 H1 HT 0.417000 1.0080 0 + 6694 WT0 4523 TIP3 H2 HT 0.417000 1.0080 0 + 6695 WT0 4525 TIP3 OH2 OT -0.834000 15.9994 0 + 6696 WT0 4525 TIP3 H1 HT 0.417000 1.0080 0 + 6697 WT0 4525 TIP3 H2 HT 0.417000 1.0080 0 + 6698 WT0 4526 TIP3 OH2 OT -0.834000 15.9994 0 + 6699 WT0 4526 TIP3 H1 HT 0.417000 1.0080 0 + 6700 WT0 4526 TIP3 H2 HT 0.417000 1.0080 0 + 6701 WT0 4527 TIP3 OH2 OT -0.834000 15.9994 0 + 6702 WT0 4527 TIP3 H1 HT 0.417000 1.0080 0 + 6703 WT0 4527 TIP3 H2 HT 0.417000 1.0080 0 + 6704 WT0 4528 TIP3 OH2 OT -0.834000 15.9994 0 + 6705 WT0 4528 TIP3 H1 HT 0.417000 1.0080 0 + 6706 WT0 4528 TIP3 H2 HT 0.417000 1.0080 0 + 6707 WT0 4529 TIP3 OH2 OT -0.834000 15.9994 0 + 6708 WT0 4529 TIP3 H1 HT 0.417000 1.0080 0 + 6709 WT0 4529 TIP3 H2 HT 0.417000 1.0080 0 + 6710 WT0 4531 TIP3 OH2 OT -0.834000 15.9994 0 + 6711 WT0 4531 TIP3 H1 HT 0.417000 1.0080 0 + 6712 WT0 4531 TIP3 H2 HT 0.417000 1.0080 0 + 6713 WT0 4532 TIP3 OH2 OT -0.834000 15.9994 0 + 6714 WT0 4532 TIP3 H1 HT 0.417000 1.0080 0 + 6715 WT0 4532 TIP3 H2 HT 0.417000 1.0080 0 + 6716 WT0 4536 TIP3 OH2 OT -0.834000 15.9994 0 + 6717 WT0 4536 TIP3 H1 HT 0.417000 1.0080 0 + 6718 WT0 4536 TIP3 H2 HT 0.417000 1.0080 0 + 6719 WT0 4537 TIP3 OH2 OT -0.834000 15.9994 0 + 6720 WT0 4537 TIP3 H1 HT 0.417000 1.0080 0 + 6721 WT0 4537 TIP3 H2 HT 0.417000 1.0080 0 + 6722 WT0 4538 TIP3 OH2 OT -0.834000 15.9994 0 + 6723 WT0 4538 TIP3 H1 HT 0.417000 1.0080 0 + 6724 WT0 4538 TIP3 H2 HT 0.417000 1.0080 0 + 6725 WT0 4540 TIP3 OH2 OT -0.834000 15.9994 0 + 6726 WT0 4540 TIP3 H1 HT 0.417000 1.0080 0 + 6727 WT0 4540 TIP3 H2 HT 0.417000 1.0080 0 + 6728 WT0 4541 TIP3 OH2 OT -0.834000 15.9994 0 + 6729 WT0 4541 TIP3 H1 HT 0.417000 1.0080 0 + 6730 WT0 4541 TIP3 H2 HT 0.417000 1.0080 0 + 6731 WT0 4543 TIP3 OH2 OT -0.834000 15.9994 0 + 6732 WT0 4543 TIP3 H1 HT 0.417000 1.0080 0 + 6733 WT0 4543 TIP3 H2 HT 0.417000 1.0080 0 + 6734 WT0 4544 TIP3 OH2 OT -0.834000 15.9994 0 + 6735 WT0 4544 TIP3 H1 HT 0.417000 1.0080 0 + 6736 WT0 4544 TIP3 H2 HT 0.417000 1.0080 0 + 6737 WT0 4545 TIP3 OH2 OT -0.834000 15.9994 0 + 6738 WT0 4545 TIP3 H1 HT 0.417000 1.0080 0 + 6739 WT0 4545 TIP3 H2 HT 0.417000 1.0080 0 + 6740 WT0 4546 TIP3 OH2 OT -0.834000 15.9994 0 + 6741 WT0 4546 TIP3 H1 HT 0.417000 1.0080 0 + 6742 WT0 4546 TIP3 H2 HT 0.417000 1.0080 0 + 6743 WT0 4547 TIP3 OH2 OT -0.834000 15.9994 0 + 6744 WT0 4547 TIP3 H1 HT 0.417000 1.0080 0 + 6745 WT0 4547 TIP3 H2 HT 0.417000 1.0080 0 + 6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 + 6754 WT0 4550 TIP3 H2 HT 0.417000 1.0080 0 + 6755 WT0 4551 TIP3 OH2 OT -0.834000 15.9994 0 + 6756 WT0 4551 TIP3 H1 HT 0.417000 1.0080 0 + 6757 WT0 4551 TIP3 H2 HT 0.417000 1.0080 0 + 6758 WT0 4553 TIP3 OH2 OT -0.834000 15.9994 0 + 6759 WT0 4553 TIP3 H1 HT 0.417000 1.0080 0 + 6760 WT0 4553 TIP3 H2 HT 0.417000 1.0080 0 + 6761 WT0 4558 TIP3 OH2 OT -0.834000 15.9994 0 + 6762 WT0 4558 TIP3 H1 HT 0.417000 1.0080 0 + 6763 WT0 4558 TIP3 H2 HT 0.417000 1.0080 0 + 6764 WT0 4559 TIP3 OH2 OT -0.834000 15.9994 0 + 6765 WT0 4559 TIP3 H1 HT 0.417000 1.0080 0 + 6766 WT0 4559 TIP3 H2 HT 0.417000 1.0080 0 + 6767 WT0 4560 TIP3 OH2 OT -0.834000 15.9994 0 + 6768 WT0 4560 TIP3 H1 HT 0.417000 1.0080 0 + 6769 WT0 4560 TIP3 H2 HT 0.417000 1.0080 0 + 6770 WT0 4561 TIP3 OH2 OT -0.834000 15.9994 0 + 6771 WT0 4561 TIP3 H1 HT 0.417000 1.0080 0 + 6772 WT0 4561 TIP3 H2 HT 0.417000 1.0080 0 + 6773 WT0 4563 TIP3 OH2 OT -0.834000 15.9994 0 + 6774 WT0 4563 TIP3 H1 HT 0.417000 1.0080 0 + 6775 WT0 4563 TIP3 H2 HT 0.417000 1.0080 0 + 6776 WT0 4564 TIP3 OH2 OT -0.834000 15.9994 0 + 6777 WT0 4564 TIP3 H1 HT 0.417000 1.0080 0 + 6778 WT0 4564 TIP3 H2 HT 0.417000 1.0080 0 + 6779 WT0 4566 TIP3 OH2 OT -0.834000 15.9994 0 + 6780 WT0 4566 TIP3 H1 HT 0.417000 1.0080 0 + 6781 WT0 4566 TIP3 H2 HT 0.417000 1.0080 0 + 6782 WT0 4568 TIP3 OH2 OT -0.834000 15.9994 0 + 6783 WT0 4568 TIP3 H1 HT 0.417000 1.0080 0 + 6784 WT0 4568 TIP3 H2 HT 0.417000 1.0080 0 + 6785 WT0 4569 TIP3 OH2 OT -0.834000 15.9994 0 + 6786 WT0 4569 TIP3 H1 HT 0.417000 1.0080 0 + 6787 WT0 4569 TIP3 H2 HT 0.417000 1.0080 0 + 6788 WT0 4570 TIP3 OH2 OT -0.834000 15.9994 0 + 6789 WT0 4570 TIP3 H1 HT 0.417000 1.0080 0 + 6790 WT0 4570 TIP3 H2 HT 0.417000 1.0080 0 + 6791 WT0 4571 TIP3 OH2 OT -0.834000 15.9994 0 + 6792 WT0 4571 TIP3 H1 HT 0.417000 1.0080 0 + 6793 WT0 4571 TIP3 H2 HT 0.417000 1.0080 0 + 6794 WT0 4572 TIP3 OH2 OT -0.834000 15.9994 0 + 6795 WT0 4572 TIP3 H1 HT 0.417000 1.0080 0 + 6796 WT0 4572 TIP3 H2 HT 0.417000 1.0080 0 + 6797 WT0 4573 TIP3 OH2 OT -0.834000 15.9994 0 + 6798 WT0 4573 TIP3 H1 HT 0.417000 1.0080 0 + 6799 WT0 4573 TIP3 H2 HT 0.417000 1.0080 0 + 6800 WT0 4574 TIP3 OH2 OT -0.834000 15.9994 0 + 6801 WT0 4574 TIP3 H1 HT 0.417000 1.0080 0 + 6802 WT0 4574 TIP3 H2 HT 0.417000 1.0080 0 + 6803 WT0 4578 TIP3 OH2 OT -0.834000 15.9994 0 + 6804 WT0 4578 TIP3 H1 HT 0.417000 1.0080 0 + 6805 WT0 4578 TIP3 H2 HT 0.417000 1.0080 0 + 6806 WT0 4581 TIP3 OH2 OT -0.834000 15.9994 0 + 6807 WT0 4581 TIP3 H1 HT 0.417000 1.0080 0 + 6808 WT0 4581 TIP3 H2 HT 0.417000 1.0080 0 + 6809 WT0 4582 TIP3 OH2 OT -0.834000 15.9994 0 + 6810 WT0 4582 TIP3 H1 HT 0.417000 1.0080 0 + 6811 WT0 4582 TIP3 H2 HT 0.417000 1.0080 0 + 6812 WT0 4584 TIP3 OH2 OT -0.834000 15.9994 0 + 6813 WT0 4584 TIP3 H1 HT 0.417000 1.0080 0 + 6814 WT0 4584 TIP3 H2 HT 0.417000 1.0080 0 + 6815 WT0 4586 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6838 WT0 4600 TIP3 H2 HT 0.417000 1.0080 0 + 6839 WT0 4602 TIP3 OH2 OT -0.834000 15.9994 0 + 6840 WT0 4602 TIP3 H1 HT 0.417000 1.0080 0 + 6841 WT0 4602 TIP3 H2 HT 0.417000 1.0080 0 + 6842 WT0 4603 TIP3 OH2 OT -0.834000 15.9994 0 + 6843 WT0 4603 TIP3 H1 HT 0.417000 1.0080 0 + 6844 WT0 4603 TIP3 H2 HT 0.417000 1.0080 0 + 6845 WT0 4604 TIP3 OH2 OT -0.834000 15.9994 0 + 6846 WT0 4604 TIP3 H1 HT 0.417000 1.0080 0 + 6847 WT0 4604 TIP3 H2 HT 0.417000 1.0080 0 + 6848 WT0 4607 TIP3 OH2 OT -0.834000 15.9994 0 + 6849 WT0 4607 TIP3 H1 HT 0.417000 1.0080 0 + 6850 WT0 4607 TIP3 H2 HT 0.417000 1.0080 0 + 6851 WT0 4610 TIP3 OH2 OT -0.834000 15.9994 0 + 6852 WT0 4610 TIP3 H1 HT 0.417000 1.0080 0 + 6853 WT0 4610 TIP3 H2 HT 0.417000 1.0080 0 + 6854 WT0 4611 TIP3 OH2 OT -0.834000 15.9994 0 + 6855 WT0 4611 TIP3 H1 HT 0.417000 1.0080 0 + 6856 WT0 4611 TIP3 H2 HT 0.417000 1.0080 0 + 6857 WT0 4612 TIP3 OH2 OT -0.834000 15.9994 0 + 6858 WT0 4612 TIP3 H1 HT 0.417000 1.0080 0 + 6859 WT0 4612 TIP3 H2 HT 0.417000 1.0080 0 + 6860 WT0 4613 TIP3 OH2 OT -0.834000 15.9994 0 + 6861 WT0 4613 TIP3 H1 HT 0.417000 1.0080 0 + 6862 WT0 4613 TIP3 H2 HT 0.417000 1.0080 0 + 6863 WT0 4614 TIP3 OH2 OT -0.834000 15.9994 0 + 6864 WT0 4614 TIP3 H1 HT 0.417000 1.0080 0 + 6865 WT0 4614 TIP3 H2 HT 0.417000 1.0080 0 + 6866 WT0 4615 TIP3 OH2 OT -0.834000 15.9994 0 + 6867 WT0 4615 TIP3 H1 HT 0.417000 1.0080 0 + 6868 WT0 4615 TIP3 H2 HT 0.417000 1.0080 0 + 6869 WT0 4617 TIP3 OH2 OT -0.834000 15.9994 0 + 6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT -0.834000 15.9994 0 + 7608 WT0 5137 TIP3 H1 HT 0.417000 1.0080 0 + 7609 WT0 5137 TIP3 H2 HT 0.417000 1.0080 0 + 7610 WT0 5138 TIP3 OH2 OT -0.834000 15.9994 0 + 7611 WT0 5138 TIP3 H1 HT 0.417000 1.0080 0 + 7612 WT0 5138 TIP3 H2 HT 0.417000 1.0080 0 + 7613 WT0 5140 TIP3 OH2 OT -0.834000 15.9994 0 + 7614 WT0 5140 TIP3 H1 HT 0.417000 1.0080 0 + 7615 WT0 5140 TIP3 H2 HT 0.417000 1.0080 0 + 7616 WT0 5146 TIP3 OH2 OT -0.834000 15.9994 0 + 7617 WT0 5146 TIP3 H1 HT 0.417000 1.0080 0 + 7618 WT0 5146 TIP3 H2 HT 0.417000 1.0080 0 + 7619 WT0 5149 TIP3 OH2 OT -0.834000 15.9994 0 + 7620 WT0 5149 TIP3 H1 HT 0.417000 1.0080 0 + 7621 WT0 5149 TIP3 H2 HT 0.417000 1.0080 0 + 7622 WT0 5151 TIP3 OH2 OT -0.834000 15.9994 0 + 7623 WT0 5151 TIP3 H1 HT 0.417000 1.0080 0 + 7624 WT0 5151 TIP3 H2 HT 0.417000 1.0080 0 + 7625 WT0 5152 TIP3 OH2 OT -0.834000 15.9994 0 + 7626 WT0 5152 TIP3 H1 HT 0.417000 1.0080 0 + 7627 WT0 5152 TIP3 H2 HT 0.417000 1.0080 0 + 7628 WT0 5153 TIP3 OH2 OT -0.834000 15.9994 0 + 7629 WT0 5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 + 7651 WT0 5164 TIP3 H2 HT 0.417000 1.0080 0 + 7652 WT0 5165 TIP3 OH2 OT -0.834000 15.9994 0 + 7653 WT0 5165 TIP3 H1 HT 0.417000 1.0080 0 + 7654 WT0 5165 TIP3 H2 HT 0.417000 1.0080 0 + 7655 WT0 5166 TIP3 OH2 OT -0.834000 15.9994 0 + 7656 WT0 5166 TIP3 H1 HT 0.417000 1.0080 0 + 7657 WT0 5166 TIP3 H2 HT 0.417000 1.0080 0 + 7658 WT0 5173 TIP3 OH2 OT -0.834000 15.9994 0 + 7659 WT0 5173 TIP3 H1 HT 0.417000 1.0080 0 + 7660 WT0 5173 TIP3 H2 HT 0.417000 1.0080 0 + 7661 WT0 5176 TIP3 OH2 OT -0.834000 15.9994 0 + 7662 WT0 5176 TIP3 H1 HT 0.417000 1.0080 0 + 7663 WT0 5176 TIP3 H2 HT 0.417000 1.0080 0 + 7664 WT0 5181 TIP3 OH2 OT -0.834000 15.9994 0 + 7665 WT0 5181 TIP3 H1 HT 0.417000 1.0080 0 + 7666 WT0 5181 TIP3 H2 HT 0.417000 1.0080 0 + 7667 WT0 5182 TIP3 OH2 OT -0.834000 15.9994 0 + 7668 WT0 5182 TIP3 H1 HT 0.417000 1.0080 0 + 7669 WT0 5182 TIP3 H2 HT 0.417000 1.0080 0 + 7670 WT0 5190 TIP3 OH2 OT -0.834000 15.9994 0 + 7671 WT0 5190 TIP3 H1 HT 0.417000 1.0080 0 + 7672 WT0 5190 TIP3 H2 HT 0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 + 8497 WT0 5891 TIP3 H2 HT 0.417000 1.0080 0 + 8498 WT0 5894 TIP3 OH2 OT -0.834000 15.9994 0 + 8499 WT0 5894 TIP3 H1 HT 0.417000 1.0080 0 + 8500 WT0 5894 TIP3 H2 HT 0.417000 1.0080 0 + 8501 WT0 5895 TIP3 OH2 OT -0.834000 15.9994 0 + 8502 WT0 5895 TIP3 H1 HT 0.417000 1.0080 0 + 8503 WT0 5895 TIP3 H2 HT 0.417000 1.0080 0 + 8504 WT0 5897 TIP3 OH2 OT -0.834000 15.9994 0 + 8505 WT0 5897 TIP3 H1 HT 0.417000 1.0080 0 + 8506 WT0 5897 TIP3 H2 HT 0.417000 1.0080 0 + 8507 WT0 5899 TIP3 OH2 OT -0.834000 15.9994 0 + 8508 WT0 5899 TIP3 H1 HT 0.417000 1.0080 0 + 8509 WT0 5899 TIP3 H2 HT 0.417000 1.0080 0 + 8510 WT0 5901 TIP3 OH2 OT -0.834000 15.9994 0 + 8511 WT0 5901 TIP3 H1 HT 0.417000 1.0080 0 + 8512 WT0 5901 TIP3 H2 HT 0.417000 1.0080 0 + 8513 WT0 5903 TIP3 OH2 OT -0.834000 15.9994 0 + 8514 WT0 5903 TIP3 H1 HT 0.417000 1.0080 0 + 8515 WT0 5903 TIP3 H2 HT 0.417000 1.0080 0 + 8516 WT0 5904 TIP3 OH2 OT -0.834000 15.9994 0 + 8517 WT0 5904 TIP3 H1 HT 0.417000 1.0080 0 + 8518 WT0 5904 TIP3 H2 HT 0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT -0.834000 15.9994 0 + 8736 WT0 6057 TIP3 H1 HT 0.417000 1.0080 0 + 8737 WT0 6057 TIP3 H2 HT 0.417000 1.0080 0 + 8738 WT0 6060 TIP3 OH2 OT -0.834000 15.9994 0 + 8739 WT0 6060 TIP3 H1 HT 0.417000 1.0080 0 + 8740 WT0 6060 TIP3 H2 HT 0.417000 1.0080 0 + 8741 WT0 6061 TIP3 OH2 OT -0.834000 15.9994 0 + 8742 WT0 6061 TIP3 H1 HT 0.417000 1.0080 0 + 8743 WT0 6061 TIP3 H2 HT 0.417000 1.0080 0 + 8744 WT0 6068 TIP3 OH2 OT -0.834000 15.9994 0 + 8745 WT0 6068 TIP3 H1 HT 0.417000 1.0080 0 + 8746 WT0 6068 TIP3 H2 HT 0.417000 1.0080 0 + 8747 WT0 6080 TIP3 OH2 OT -0.834000 15.9994 0 + 8748 WT0 6080 TIP3 H1 HT 0.417000 1.0080 0 + 8749 WT0 6080 TIP3 H2 HT 0.417000 1.0080 0 + 8750 WT0 6082 TIP3 OH2 OT -0.834000 15.9994 0 + 8751 WT0 6082 TIP3 H1 HT 0.417000 1.0080 0 + 8752 WT0 6082 TIP3 H2 HT 0.417000 1.0080 0 + 8753 WT0 6090 TIP3 OH2 OT -0.834000 15.9994 0 + 8754 WT0 6090 TIP3 H1 HT 0.417000 1.0080 0 + 8755 WT0 6090 TIP3 H2 HT 0.417000 1.0080 0 + 8756 WT0 6091 TIP3 OH2 OT -0.834000 15.9994 0 + 8757 WT0 6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 + 8779 WT0 6124 TIP3 H2 HT 0.417000 1.0080 0 + 8780 WT0 6129 TIP3 OH2 OT -0.834000 15.9994 0 + 8781 WT0 6129 TIP3 H1 HT 0.417000 1.0080 0 + 8782 WT0 6129 TIP3 H2 HT 0.417000 1.0080 0 + 8783 WT0 6136 TIP3 OH2 OT -0.834000 15.9994 0 + 8784 WT0 6136 TIP3 H1 HT 0.417000 1.0080 0 + 8785 WT0 6136 TIP3 H2 HT 0.417000 1.0080 0 + 8786 WT0 6138 TIP3 OH2 OT -0.834000 15.9994 0 + 8787 WT0 6138 TIP3 H1 HT 0.417000 1.0080 0 + 8788 WT0 6138 TIP3 H2 HT 0.417000 1.0080 0 + 8789 WT0 6139 TIP3 OH2 OT -0.834000 15.9994 0 + 8790 WT0 6139 TIP3 H1 HT 0.417000 1.0080 0 + 8791 WT0 6139 TIP3 H2 HT 0.417000 1.0080 0 + 8792 WT0 6146 TIP3 OH2 OT -0.834000 15.9994 0 + 8793 WT0 6146 TIP3 H1 HT 0.417000 1.0080 0 + 8794 WT0 6146 TIP3 H2 HT 0.417000 1.0080 0 + 8795 WT0 6157 TIP3 OH2 OT -0.834000 15.9994 0 + 8796 WT0 6157 TIP3 H1 HT 0.417000 1.0080 0 + 8797 WT0 6157 TIP3 H2 HT 0.417000 1.0080 0 + 8798 WT0 6158 TIP3 OH2 OT -0.834000 15.9994 0 + 8799 WT0 6158 TIP3 H1 HT 0.417000 1.0080 0 + 8800 WT0 6158 TIP3 H2 HT 0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 1.0080 0 + 8872 WT0 6230 TIP3 H2 HT 0.417000 1.0080 0 + 8873 WT0 6231 TIP3 OH2 OT -0.834000 15.9994 0 + 8874 WT0 6231 TIP3 H1 HT 0.417000 1.0080 0 + 8875 WT0 6231 TIP3 H2 HT 0.417000 1.0080 0 + 8876 WT0 6233 TIP3 OH2 OT 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6246 TIP3 H1 HT 0.417000 1.0080 0 + 8899 WT0 6246 TIP3 H2 HT 0.417000 1.0080 0 + 8900 WT0 6247 TIP3 OH2 OT -0.834000 15.9994 0 + 8901 WT0 6247 TIP3 H1 HT 0.417000 1.0080 0 + 8902 WT0 6247 TIP3 H2 HT 0.417000 1.0080 0 + 8903 WT0 6249 TIP3 OH2 OT -0.834000 15.9994 0 + 8904 WT0 6249 TIP3 H1 HT 0.417000 1.0080 0 + 8905 WT0 6249 TIP3 H2 HT 0.417000 1.0080 0 + 8906 WT0 6250 TIP3 OH2 OT -0.834000 15.9994 0 + 8907 WT0 6250 TIP3 H1 HT 0.417000 1.0080 0 + 8908 WT0 6250 TIP3 H2 HT 0.417000 1.0080 0 + 8909 WT0 6252 TIP3 OH2 OT -0.834000 15.9994 0 + 8910 WT0 6252 TIP3 H1 HT 0.417000 1.0080 0 + 8911 WT0 6252 TIP3 H2 HT 0.417000 1.0080 0 + 8912 WT0 6253 TIP3 OH2 OT -0.834000 15.9994 0 + 8913 WT0 6253 TIP3 H1 HT 0.417000 1.0080 0 + 8914 WT0 6253 TIP3 H2 HT 0.417000 1.0080 0 + 8915 WT0 6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT -0.834000 15.9994 0 + 8988 WT0 6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT -0.834000 15.9994 0 + 9024 WT0 6315 TIP3 H1 HT 0.417000 1.0080 0 + 9025 WT0 6315 TIP3 H2 HT 0.417000 1.0080 0 + 9026 WT0 6316 TIP3 OH2 OT -0.834000 15.9994 0 + 9027 WT0 6316 TIP3 H1 HT 0.417000 1.0080 0 + 9028 WT0 6316 TIP3 H2 HT 0.417000 1.0080 0 + 9029 WT0 6318 TIP3 OH2 OT -0.834000 15.9994 0 + 9030 WT0 6318 TIP3 H1 HT 0.417000 1.0080 0 + 9031 WT0 6318 TIP3 H2 HT 0.417000 1.0080 0 + 9032 WT0 6319 TIP3 OH2 OT -0.834000 15.9994 0 + 9033 WT0 6319 TIP3 H1 HT 0.417000 1.0080 0 + 9034 WT0 6319 TIP3 H2 HT 0.417000 1.0080 0 + 9035 WT0 6323 TIP3 OH2 OT -0.834000 15.9994 0 + 9036 WT0 6323 TIP3 H1 HT 0.417000 1.0080 0 + 9037 WT0 6323 TIP3 H2 HT 0.417000 1.0080 0 + 9038 WT0 6324 TIP3 OH2 OT -0.834000 15.9994 0 + 9039 WT0 6324 TIP3 H1 HT 0.417000 1.0080 0 + 9040 WT0 6324 TIP3 H2 HT 0.417000 1.0080 0 + 9041 WT0 6326 TIP3 OH2 OT -0.834000 15.9994 0 + 9042 WT0 6326 TIP3 H1 HT 0.417000 1.0080 0 + 9043 WT0 6326 TIP3 H2 HT 0.417000 1.0080 0 + 9044 WT0 6327 TIP3 OH2 OT -0.834000 15.9994 0 + 9045 WT0 6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 + 9082 WT0 6348 TIP3 H2 HT 0.417000 1.0080 0 + 9083 WT0 6351 TIP3 OH2 OT -0.834000 15.9994 0 + 9084 WT0 6351 TIP3 H1 HT 0.417000 1.0080 0 + 9085 WT0 6351 TIP3 H2 HT 0.417000 1.0080 0 + 9086 WT0 6355 TIP3 OH2 OT -0.834000 15.9994 0 + 9087 WT0 6355 TIP3 H1 HT 0.417000 1.0080 0 + 9088 WT0 6355 TIP3 H2 HT 0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT 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6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT -0.834000 15.9994 0 + 9300 WT0 6545 TIP3 H1 HT 0.417000 1.0080 0 + 9301 WT0 6545 TIP3 H2 HT 0.417000 1.0080 0 + 9302 WT0 6547 TIP3 OH2 OT -0.834000 15.9994 0 + 9303 WT0 6547 TIP3 H1 HT 0.417000 1.0080 0 + 9304 WT0 6547 TIP3 H2 HT 0.417000 1.0080 0 + 9305 WT0 6551 TIP3 OH2 OT -0.834000 15.9994 0 + 9306 WT0 6551 TIP3 H1 HT 0.417000 1.0080 0 + 9307 WT0 6551 TIP3 H2 HT 0.417000 1.0080 0 + 9308 WT0 6554 TIP3 OH2 OT -0.834000 15.9994 0 + 9309 WT0 6554 TIP3 H1 HT 0.417000 1.0080 0 + 9310 WT0 6554 TIP3 H2 HT 0.417000 1.0080 0 + 9311 WT0 6555 TIP3 OH2 OT -0.834000 15.9994 0 + 9312 WT0 6555 TIP3 H1 HT 0.417000 1.0080 0 + 9313 WT0 6555 TIP3 H2 HT 0.417000 1.0080 0 + 9314 WT0 6560 TIP3 OH2 OT -0.834000 15.9994 0 + 9315 WT0 6560 TIP3 H1 HT 0.417000 1.0080 0 + 9316 WT0 6560 TIP3 H2 HT 0.417000 1.0080 0 + 9317 WT0 6561 TIP3 OH2 OT -0.834000 15.9994 0 + 9318 WT0 6561 TIP3 H1 HT 0.417000 1.0080 0 + 9319 WT0 6561 TIP3 H2 HT 0.417000 1.0080 0 + 9320 WT0 6564 TIP3 OH2 OT -0.834000 15.9994 0 + 9321 WT0 6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 + 9343 WT0 6602 TIP3 H2 HT 0.417000 1.0080 0 + 9344 WT0 6604 TIP3 OH2 OT -0.834000 15.9994 0 + 9345 WT0 6604 TIP3 H1 HT 0.417000 1.0080 0 + 9346 WT0 6604 TIP3 H2 HT 0.417000 1.0080 0 + 9347 WT0 6614 TIP3 OH2 OT -0.834000 15.9994 0 + 9348 WT0 6614 TIP3 H1 HT 0.417000 1.0080 0 + 9349 WT0 6614 TIP3 H2 HT 0.417000 1.0080 0 + 9350 WT0 6615 TIP3 OH2 OT -0.834000 15.9994 0 + 9351 WT0 6615 TIP3 H1 HT 0.417000 1.0080 0 + 9352 WT0 6615 TIP3 H2 HT 0.417000 1.0080 0 + 9353 WT0 6616 TIP3 OH2 OT -0.834000 15.9994 0 + 9354 WT0 6616 TIP3 H1 HT 0.417000 1.0080 0 + 9355 WT0 6616 TIP3 H2 HT 0.417000 1.0080 0 + 9356 WT0 6618 TIP3 OH2 OT -0.834000 15.9994 0 + 9357 WT0 6618 TIP3 H1 HT 0.417000 1.0080 0 + 9358 WT0 6618 TIP3 H2 HT 0.417000 1.0080 0 + 9359 WT0 6623 TIP3 OH2 OT -0.834000 15.9994 0 + 9360 WT0 6623 TIP3 H1 HT 0.417000 1.0080 0 + 9361 WT0 6623 TIP3 H2 HT 0.417000 1.0080 0 + 9362 WT0 6628 TIP3 OH2 OT -0.834000 15.9994 0 + 9363 WT0 6628 TIP3 H1 HT 0.417000 1.0080 0 + 9364 WT0 6628 TIP3 H2 HT 0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT 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6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 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9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT 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6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 1.0080 0 + 11105 WT0 8940 TIP3 OH2 OT -0.834000 15.9994 0 + 11106 WT0 8940 TIP3 H1 HT 0.417000 1.0080 0 + 11107 WT0 8940 TIP3 H2 HT 0.417000 1.0080 0 + 11108 WT0 8949 TIP3 OH2 OT -0.834000 15.9994 0 + 11109 WT0 8949 TIP3 H1 HT 0.417000 1.0080 0 + 11110 WT0 8949 TIP3 H2 HT 0.417000 1.0080 0 + 11111 WT0 8950 TIP3 OH2 OT -0.834000 15.9994 0 + 11112 WT0 8950 TIP3 H1 HT 0.417000 1.0080 0 + 11113 WT0 8950 TIP3 H2 HT 0.417000 1.0080 0 + 11114 WT0 8952 TIP3 OH2 OT -0.834000 15.9994 0 + 11115 WT0 8952 TIP3 H1 HT 0.417000 1.0080 0 + 11116 WT0 8952 TIP3 H2 HT 0.417000 1.0080 0 + 11117 WT0 8954 TIP3 OH2 OT -0.834000 15.9994 0 + 11118 WT0 8954 TIP3 H1 HT 0.417000 1.0080 0 + 11119 WT0 8954 TIP3 H2 HT 0.417000 1.0080 0 + 11120 WT0 8956 TIP3 OH2 OT -0.834000 15.9994 0 + 11121 WT0 8956 TIP3 H1 HT 0.417000 1.0080 0 + 11122 WT0 8956 TIP3 H2 HT 0.417000 1.0080 0 + 11123 WT0 8959 TIP3 OH2 OT -0.834000 15.9994 0 + 11124 WT0 8959 TIP3 H1 HT 0.417000 1.0080 0 + 11125 WT0 8959 TIP3 H2 HT 0.417000 1.0080 0 + 11126 WT0 8960 TIP3 OH2 OT -0.834000 15.9994 0 + 11127 WT0 8960 TIP3 H1 HT 0.417000 1.0080 0 + 11128 WT0 8960 TIP3 H2 HT 0.417000 1.0080 0 + 11129 WT0 8961 TIP3 OH2 OT -0.834000 15.9994 0 + 11130 WT0 8961 TIP3 H1 HT 0.417000 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0000000..3a90054 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_1/input @@ -0,0 +1,18 @@ +bincoordinates input.coor +coordinates structure.pdb +cutoff 9 +extendedsystem input.xsc +thermostat on +thermostatdamping 0.1 +thermostattemp 350 +parameters parameters +pme on +restart on +structure structure.psf +switchdist 7.5 +switching on +temperature 350 +timestep 4 +trajectoryfile output.xtc +trajectoryperiod 25000 +run 250000 diff --git a/adaptivemd/generators/ntl9_1ns_1/input.coor b/adaptivemd/generators/ntl9_1ns_1/input.coor new file mode 100644 index 0000000..faaab87 Binary files /dev/null and b/adaptivemd/generators/ntl9_1ns_1/input.coor differ diff --git a/adaptivemd/generators/ntl9_1ns_1/input.xsc b/adaptivemd/generators/ntl9_1ns_1/input.xsc new file mode 100644 index 0000000..5a9cda3 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_1/input.xsc @@ -0,0 +1,3 @@ +# Extended system configuration restart file +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z s_x s_y s_z s_u s_v s_w +10000000 5.048889e+01 0 0 0 5.049091e+01 0 0 0 5.041617e+01 0 0 0 0 0 0 0 0 0 diff --git a/adaptivemd/generators/ntl9_1ns_1/parameters b/adaptivemd/generators/ntl9_1ns_1/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_1/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 3.451510 +3.319160 3.052900 3.873720 2.420650 0.949100 +0.008370 -1.382980 -2.138930 -2.087380 -1.268300 +-0.494370 0.267580 0.908250 0.537520 0.306260 +0.069540 0.097460 0.263060 0.603220 + +!-75 +1.396790 3.349090 2.180920 2.942960 3.814070 +3.675800 3.555310 3.887290 2.101260 -0.190940 +-0.732240 -1.382040 -0.673880 -0.817390 -0.826980 +-0.111800 0.053710 0.296400 0.692240 0.428960 +-0.036100 -0.033820 -0.194300 0.400210 + +!-60 +0.246650 1.229980 1.716960 3.168570 4.208190 +4.366860 4.251080 3.348110 0.997540 -1.287540 +-1.179900 -0.684300 -0.853660 -1.158760 -0.347550 +0.114810 0.242800 0.322420 0.370140 -0.374950 +-0.676940 -1.323430 -1.366650 -0.218770 + +!-45 +-1.196730 0.078060 2.347410 4.211350 5.376000 +5.364940 4.355200 2.436510 0.408470 -0.590840 +-0.435960 -0.501210 -0.822230 -0.607210 0.057910 +0.246580 -0.070570 0.379430 0.247770 -0.571680 +-1.282910 -1.715770 -1.839820 -1.987110 + +!-30 +-1.174720 1.067030 4.180460 6.741610 6.070770 +4.781470 2.758340 1.295810 0.571150 -0.196480 +0.251860 -0.732140 1.289360 1.497590 1.890550 +2.198490 0.169290 0.534000 0.331780 -1.276320 +-2.550070 -3.312150 -3.136670 -2.642260 + +!-15 +0.293590 5.588070 3.732620 3.217620 3.272450 +2.492320 1.563700 1.356760 0.831410 0.630170 +1.591970 0.821920 0.486070 0.715760 0.996020 +1.591580 -0.367400 0.181770 -0.613920 -2.267900 +-3.516460 -3.597700 -3.043340 -1.765020 + +!0 +2.832310 0.787990 0.323280 0.479230 0.628600 +0.976330 1.238750 1.671950 1.645480 2.520340 +1.606970 0.776350 0.119780 0.070390 0.121170 +-1.569230 -1.213010 -1.846360 -2.744510 -3.792530 +-3.934880 -3.615930 -2.675750 -0.924170 + +!15 +-0.778340 -1.912680 -2.052140 -1.846280 -1.047430 +0.183400 1.682950 2.223500 1.358370 2.448660 +1.436920 0.678570 -0.237060 -0.535320 -0.790380 +-2.182580 -3.251140 -4.195110 -4.269270 -3.908210 +-3.455620 -2.773970 1.755370 0.313410 + +!30 +-2.963810 -3.483730 -3.517080 -2.724860 -1.405510 +0.336200 1.428450 1.394630 0.970370 2.462720 +1.522430 0.553620 -0.407380 -1.482950 -3.613920 +-4.159810 -4.945580 -4.784040 -3.764540 -2.959140 +-1.963850 -1.071260 -1.599580 -2.445320 + +!45 +-4.029070 -3.932660 -3.558480 -2.513980 -1.037320 +0.362000 0.814380 0.754110 0.502370 1.903420 +0.770220 -0.416420 -3.286310 -3.875270 -4.907800 +-5.704430 -5.645660 -4.396040 -2.865450 -2.368170 +-2.860490 -3.416560 -3.666490 -3.859070 + +!60 +-3.338270 -2.960220 -2.311700 -1.272890 -0.246470 +0.722610 0.668070 0.438130 2.395330 1.632470 +-2.041450 -3.218100 -3.915080 -4.852510 -5.696500 +-6.314370 -5.683690 -4.170620 -3.141000 -3.508820 +-3.756430 -3.640810 -3.640430 -3.550690 + +!75 +-2.244860 -1.632100 -1.000640 -0.170440 0.526440 +0.823710 0.517140 -0.013120 -0.370910 -1.213720 +-2.305650 -3.420580 -4.484960 -5.693140 -6.199150 +-6.253870 -5.211310 -4.174380 -3.685150 -4.151360 +-4.161970 -3.725150 -3.715310 -2.606760 + +!90 +-1.720840 -1.177830 -0.428430 0.277730 0.807900 +0.803260 0.482510 -0.336900 -0.786270 -1.774070 +-2.793220 -3.828560 -5.211800 -6.636850 -6.989940 +-6.108800 -5.452410 -3.911450 -4.321000 -4.587240 +-4.102610 -3.772820 -3.157300 -2.648390 + +!105 +-1.850640 -1.092420 -0.445020 0.128490 1.005520 +0.884820 0.485850 -0.218470 -0.857670 -1.682330 +-3.014400 -4.481110 -6.053510 -6.865400 -6.871130 +-5.728240 -3.912230 -4.802110 -5.034640 -4.715990 +-4.601080 -4.086220 -3.274630 -2.410940 + +!120 +-1.969230 -1.116650 -0.540250 -0.150330 0.763520 +1.038890 0.758480 0.313530 -0.333050 -1.872770 +-3.366270 -5.008260 -6.124810 -7.034830 -6.724320 +-3.700200 -4.510620 -5.185650 -5.361620 -4.847490 +-4.444320 -4.004260 -3.415720 -2.751230 + +!135 +-2.111250 -1.168960 -0.322790 -0.006920 0.316660 +1.086270 0.939170 0.625340 -0.166360 -1.830310 +-3.469470 -4.946030 -6.112560 -1.915580 -4.047310 +-4.996740 -4.996730 -4.842690 -4.886620 -4.300540 +-4.494620 -4.442210 -4.163570 -3.183510 + +!150 +-1.757590 -0.403620 0.023920 0.362390 0.634520 +1.264920 1.361360 0.948420 -0.073680 -1.483560 +-3.152820 1.835120 -1.762860 -5.093660 -5.744830 +-5.390070 -4.783930 -4.190630 -4.115420 -4.042280 +-4.125570 -4.028550 -4.026100 -2.937910 + +!165 +-0.810590 -0.071500 0.378890 0.543310 1.277880 +1.641310 1.698840 1.519950 0.631950 -1.088670 +-2.736530 -0.735240 -4.563830 -6.408350 -5.889450 +-5.141750 -4.194970 -3.666490 -3.843450 -3.818830 +-3.826180 -3.596820 -2.994790 -2.231020 + +! alanine before proline map +C NH1 CT1 C NH1 CT1 C N 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 3.451510 +3.319160 3.052900 3.873720 2.420650 0.949100 +0.008370 -1.382980 -2.138930 -2.087380 -1.268300 +-0.494370 0.267580 0.908250 0.537520 0.306260 +0.069540 0.097460 0.263060 0.603220 + +!-75 +1.396790 3.349090 2.180920 2.942960 3.814070 +3.675800 3.555310 3.887290 2.101260 -0.190940 +-0.732240 -1.382040 -0.673880 -0.817390 -0.826980 +-0.111800 0.053710 0.296400 0.692240 0.428960 +-0.036100 -0.033820 -0.194300 0.400210 + +!-60 +0.246650 1.229980 1.716960 3.168570 4.208190 +4.366860 4.251080 3.348110 0.997540 -1.287540 +-1.179900 -0.684300 -0.853660 -1.158760 -0.347550 +0.114810 0.242800 0.322420 0.370140 -0.374950 +-0.676940 -1.323430 -1.366650 -0.218770 + +!-45 +-1.196730 0.078060 2.347410 4.211350 5.376000 +5.364940 4.355200 2.436510 0.408470 -0.590840 +-0.435960 -0.501210 -0.822230 -0.607210 0.057910 +0.246580 -0.070570 0.379430 0.247770 -0.571680 +-1.282910 -1.715770 -1.839820 -1.987110 + +!-30 +-1.174720 1.067030 4.180460 6.741610 6.070770 +4.781470 2.758340 1.295810 0.571150 -0.196480 +0.251860 -0.732140 1.289360 1.497590 1.890550 +2.198490 0.169290 0.534000 0.331780 -1.276320 +-2.550070 -3.312150 -3.136670 -2.642260 + +!-15 +0.293590 5.588070 3.732620 3.217620 3.272450 +2.492320 1.563700 1.356760 0.831410 0.630170 +1.591970 0.821920 0.486070 0.715760 0.996020 +1.591580 -0.367400 0.181770 -0.613920 -2.267900 +-3.516460 -3.597700 -3.043340 -1.765020 + +!0 +2.832310 0.787990 0.323280 0.479230 0.628600 +0.976330 1.238750 1.671950 1.645480 2.520340 +1.606970 0.776350 0.119780 0.070390 0.121170 +-1.569230 -1.213010 -1.846360 -2.744510 -3.792530 +-3.934880 -3.615930 -2.675750 -0.924170 + +!15 +-0.778340 -1.912680 -2.052140 -1.846280 -1.047430 +0.183400 1.682950 2.223500 1.358370 2.448660 +1.436920 0.678570 -0.237060 -0.535320 -0.790380 +-2.182580 -3.251140 -4.195110 -4.269270 -3.908210 +-3.455620 -2.773970 1.755370 0.313410 + +!30 +-2.963810 -3.483730 -3.517080 -2.724860 -1.405510 +0.336200 1.428450 1.394630 0.970370 2.462720 +1.522430 0.553620 -0.407380 -1.482950 -3.613920 +-4.159810 -4.945580 -4.784040 -3.764540 -2.959140 +-1.963850 -1.071260 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Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/generators/ntl9_1ns_1/run.sh b/adaptivemd/generators/ntl9_1ns_1/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_1/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/generators/ntl9_1ns_1/structure.pdb b/adaptivemd/generators/ntl9_1ns_1/structure.pdb new file mode 100644 index 0000000..ab55b80 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_1/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 -4.106 -4.096 -14.157 0.00 0.00 P C +ATOM 2 HY1 MET 1 -4.416 -3.186 -14.717 0.00 0.00 P H +ATOM 3 HY2 MET 1 -3.726 -3.586 -13.247 0.00 0.00 P H +ATOM 4 HY3 MET 1 -5.016 -4.716 -14.037 0.00 0.00 P H +ATOM 5 CY MET 1 -3.086 -4.926 -14.917 0.00 0.00 P C +ATOM 6 OY MET 1 -3.296 -6.146 -15.137 0.00 0.00 P O +ATOM 7 N MET 1 -1.916 -4.296 -15.117 0.00 0.00 P N +ATOM 8 HN MET 1 -1.866 -3.376 -14.737 0.00 0.00 P H +ATOM 9 CA MET 1 -0.746 -4.556 -15.857 0.00 0.00 P C +ATOM 10 HA MET 1 -0.926 -4.556 -16.917 0.00 0.00 P H +ATOM 11 CB MET 1 0.444 -3.546 -15.687 0.00 0.00 P C +ATOM 12 HB1 MET 1 0.394 -3.416 -14.587 0.00 0.00 P H +ATOM 13 HB2 MET 1 1.324 -4.096 -16.077 0.00 0.00 P H +ATOM 14 CG MET 1 0.244 -2.296 -16.447 0.00 0.00 P C +ATOM 15 HG1 MET 1 -0.196 -2.466 -17.457 0.00 0.00 P H +ATOM 16 HG2 MET 1 -0.406 -1.456 -16.117 0.00 0.00 P H +ATOM 17 SD MET 1 1.864 -1.506 -16.727 0.00 0.00 P S +ATOM 18 CE MET 1 2.524 -1.206 -15.017 0.00 0.00 P C +ATOM 19 HE1 MET 1 3.594 -0.976 -15.187 0.00 0.00 P H +ATOM 20 HE2 MET 1 2.084 -0.366 -14.447 0.00 0.00 P H +ATOM 21 HE3 MET 1 2.344 -2.076 -14.347 0.00 0.00 P H +ATOM 22 C MET 1 -0.156 -6.056 -15.527 0.00 0.00 P C +ATOM 23 O MET 1 0.474 -6.416 -14.537 0.00 0.00 P O +ATOM 24 N LYS 2 -0.296 -6.936 -16.567 0.00 0.00 P N +ATOM 25 HN LYS 2 -0.866 -6.876 -17.387 0.00 0.00 P H +ATOM 26 CA LYS 2 0.164 -8.266 -16.537 0.00 0.00 P C +ATOM 27 HA LYS 2 -0.326 -8.576 -15.617 0.00 0.00 P H +ATOM 28 CB LYS 2 -0.306 -8.926 -17.847 0.00 0.00 P C +ATOM 29 HB1 LYS 2 -1.416 -8.976 -17.787 0.00 0.00 P H +ATOM 30 HB2 LYS 2 -0.076 -8.116 -18.577 0.00 0.00 P H +ATOM 31 CG LYS 2 0.394 -10.126 -18.277 0.00 0.00 P C +ATOM 32 HG1 LYS 2 1.414 -9.906 -18.647 0.00 0.00 P H +ATOM 33 HG2 LYS 2 0.504 -10.946 -17.537 0.00 0.00 P H +ATOM 34 CD LYS 2 -0.336 -10.746 -19.567 0.00 0.00 P C +ATOM 35 HD1 LYS 2 -1.396 -11.056 -19.497 0.00 0.00 P H +ATOM 36 HD2 LYS 2 -0.296 -9.966 -20.357 0.00 0.00 P H +ATOM 37 CE LYS 2 0.394 -12.076 -19.967 0.00 0.00 P C +ATOM 38 HE1 LYS 2 1.494 -12.076 -19.827 0.00 0.00 P H +ATOM 39 HE2 LYS 2 0.064 -12.976 -19.407 0.00 0.00 P H +ATOM 40 NZ LYS 2 0.174 -12.446 -21.437 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 -0.616 -13.106 -21.577 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 -0.006 -11.596 -22.017 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 1.054 -12.846 -21.817 0.00 0.00 P H +ATOM 44 C LYS 2 1.614 -8.656 -16.347 0.00 0.00 P C +ATOM 45 O LYS 2 2.104 -9.486 -15.557 0.00 0.00 P O +ATOM 46 N VAL 3 2.504 -7.896 -17.037 0.00 0.00 P N +ATOM 47 HN VAL 3 2.164 -7.136 -17.577 0.00 0.00 P H +ATOM 48 CA VAL 3 3.954 -7.796 -16.867 0.00 0.00 P C +ATOM 49 HA VAL 3 4.274 -8.576 -16.197 0.00 0.00 P H +ATOM 50 CB VAL 3 4.734 -7.806 -18.287 0.00 0.00 P C +ATOM 51 HB VAL 3 3.954 -7.316 -18.917 0.00 0.00 P H +ATOM 52 CG1 VAL 3 6.024 -7.046 -18.337 0.00 0.00 P C +ATOM 53 HG11 VAL 3 6.704 -7.486 -19.107 0.00 0.00 P H +ATOM 54 HG12 VAL 3 6.014 -5.976 -18.607 0.00 0.00 P H +ATOM 55 HG13 VAL 3 6.704 -7.216 -17.477 0.00 0.00 P H +ATOM 56 CG2 VAL 3 4.774 -9.136 -18.767 0.00 0.00 P C +ATOM 57 HG21 VAL 3 5.364 -9.176 -19.707 0.00 0.00 P H +ATOM 58 HG22 VAL 3 5.114 -9.826 -17.967 0.00 0.00 P H +ATOM 59 HG23 VAL 3 3.714 -9.456 -18.887 0.00 0.00 P H +ATOM 60 C VAL 3 4.384 -6.506 -16.117 0.00 0.00 P C +ATOM 61 O VAL 3 3.934 -5.396 -16.397 0.00 0.00 P O +ATOM 62 N ILE 4 5.044 -6.646 -14.957 0.00 0.00 P N +ATOM 63 HN ILE 4 5.154 -7.586 -14.647 0.00 0.00 P H +ATOM 64 CA ILE 4 5.414 -5.516 -14.117 0.00 0.00 P C +ATOM 65 HA ILE 4 4.814 -4.626 -14.247 0.00 0.00 P H +ATOM 66 CB ILE 4 5.404 -5.986 -12.737 0.00 0.00 P C +ATOM 67 HB ILE 4 4.414 -6.436 -12.527 0.00 0.00 P H +ATOM 68 CG2 ILE 4 6.324 -7.326 -12.347 0.00 0.00 P C +ATOM 69 HG21 ILE 4 6.264 -8.076 -13.157 0.00 0.00 P H +ATOM 70 HG22 ILE 4 7.364 -6.976 -12.187 0.00 0.00 P H +ATOM 71 HG23 ILE 4 6.034 -7.786 -11.377 0.00 0.00 P H +ATOM 72 CG1 ILE 4 5.374 -4.696 -11.817 0.00 0.00 P C +ATOM 73 HG11 ILE 4 5.644 -4.946 -10.767 0.00 0.00 P H +ATOM 74 HG12 ILE 4 6.164 -4.016 -12.207 0.00 0.00 P H +ATOM 75 CD ILE 4 4.044 -3.986 -11.737 0.00 0.00 P C +ATOM 76 HD1 ILE 4 3.584 -3.796 -12.727 0.00 0.00 P H +ATOM 77 HD2 ILE 4 3.374 -4.506 -11.017 0.00 0.00 P H +ATOM 78 HD3 ILE 4 4.154 -2.946 -11.357 0.00 0.00 P H +ATOM 79 C ILE 4 6.904 -5.026 -14.627 0.00 0.00 P C +ATOM 80 O ILE 4 7.904 -5.176 -13.927 0.00 0.00 P O +ATOM 81 N PHE 5 6.954 -4.326 -15.797 0.00 0.00 P N +ATOM 82 HN PHE 5 6.084 -3.996 -16.147 0.00 0.00 P H +ATOM 83 CA PHE 5 8.164 -3.836 -16.557 0.00 0.00 P C +ATOM 84 HA PHE 5 8.704 -3.116 -15.967 0.00 0.00 P H +ATOM 85 CB PHE 5 9.214 -4.996 -16.867 0.00 0.00 P C +ATOM 86 HB1 PHE 5 9.924 -5.166 -16.037 0.00 0.00 P H +ATOM 87 HB2 PHE 5 8.694 -5.956 -17.057 0.00 0.00 P H +ATOM 88 CG PHE 5 9.984 -4.876 -18.187 0.00 0.00 P C +ATOM 89 CD1 PHE 5 10.934 -3.806 -18.117 0.00 0.00 P C +ATOM 90 HD1 PHE 5 10.964 -3.176 -17.247 0.00 0.00 P H +ATOM 91 CE1 PHE 5 11.724 -3.426 -19.237 0.00 0.00 P C +ATOM 92 HE1 PHE 5 12.394 -2.576 -19.227 0.00 0.00 P H +ATOM 93 CZ PHE 5 11.474 -4.206 -20.427 0.00 0.00 P C +ATOM 94 HZ PHE 5 12.054 -4.056 -21.327 0.00 0.00 P H +ATOM 95 CD2 PHE 5 9.854 -5.706 -19.377 0.00 0.00 P C +ATOM 96 HD2 PHE 5 9.174 -6.546 -19.367 0.00 0.00 P H +ATOM 97 CE2 PHE 5 10.684 -5.306 -20.447 0.00 0.00 P C +ATOM 98 HE2 PHE 5 10.844 -5.816 -21.377 0.00 0.00 P H +ATOM 99 C PHE 5 7.744 -2.936 -17.707 0.00 0.00 P C +ATOM 100 O PHE 5 6.754 -3.266 -18.407 0.00 0.00 P O +ATOM 101 N LEU 6 8.214 -1.676 -17.717 0.00 0.00 P N +ATOM 102 HN LEU 6 8.734 -1.636 -16.867 0.00 0.00 P H +ATOM 103 CA LEU 6 7.964 -0.626 -18.637 0.00 0.00 P C +ATOM 104 HA LEU 6 7.744 -1.136 -19.567 0.00 0.00 P H +ATOM 105 CB LEU 6 6.624 0.154 -18.187 0.00 0.00 P C +ATOM 106 HB1 LEU 6 6.164 0.794 -18.967 0.00 0.00 P H +ATOM 107 HB2 LEU 6 5.904 -0.656 -17.917 0.00 0.00 P H +ATOM 108 CG LEU 6 6.834 1.094 -16.977 0.00 0.00 P C +ATOM 109 HG LEU 6 7.474 1.884 -17.417 0.00 0.00 P H +ATOM 110 CD1 LEU 6 5.504 1.704 -16.557 0.00 0.00 P C +ATOM 111 HD11 LEU 6 5.644 2.044 -15.517 0.00 0.00 P H +ATOM 112 HD12 LEU 6 5.304 2.614 -17.157 0.00 0.00 P H +ATOM 113 HD13 LEU 6 4.674 0.964 -16.557 0.00 0.00 P H +ATOM 114 CD2 LEU 6 7.594 0.434 -15.747 0.00 0.00 P C +ATOM 115 HD21 LEU 6 7.394 1.114 -14.887 0.00 0.00 P H +ATOM 116 HD22 LEU 6 7.174 -0.586 -15.617 0.00 0.00 P H +ATOM 117 HD23 LEU 6 8.674 0.374 -15.997 0.00 0.00 P H +ATOM 118 C LEU 6 9.034 0.274 -18.887 0.00 0.00 P C +ATOM 119 O LEU 6 10.034 0.324 -18.247 0.00 0.00 P O +ATOM 120 N LYS 7 8.854 0.914 -20.077 0.00 0.00 P N +ATOM 121 HN LYS 7 8.114 0.594 -20.657 0.00 0.00 P H +ATOM 122 CA LYS 7 10.044 1.754 -20.387 0.00 0.00 P C +ATOM 123 HA LYS 7 10.544 2.014 -19.467 0.00 0.00 P H +ATOM 124 CB LYS 7 10.974 1.154 -21.397 0.00 0.00 P C +ATOM 125 HB1 LYS 7 11.654 0.364 -21.027 0.00 0.00 P H +ATOM 126 HB2 LYS 7 10.264 0.664 -22.107 0.00 0.00 P H +ATOM 127 CG LYS 7 11.924 2.134 -22.057 0.00 0.00 P C +ATOM 128 HG1 LYS 7 11.434 2.934 -22.637 0.00 0.00 P H +ATOM 129 HG2 LYS 7 12.614 2.574 -21.297 0.00 0.00 P H +ATOM 130 CD LYS 7 12.804 1.464 -23.197 0.00 0.00 P C +ATOM 131 HD1 LYS 7 13.364 0.524 -22.977 0.00 0.00 P H +ATOM 132 HD2 LYS 7 12.024 1.354 -23.977 0.00 0.00 P H +ATOM 133 CE LYS 7 13.984 2.374 -23.657 0.00 0.00 P C +ATOM 134 HE1 LYS 7 14.704 1.754 -24.237 0.00 0.00 P H +ATOM 135 HE2 LYS 7 13.594 3.244 -24.227 0.00 0.00 P H +ATOM 136 NZ LYS 7 14.664 2.894 -22.417 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 14.834 2.094 -21.767 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 15.594 3.324 -22.627 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 14.274 3.674 -21.857 0.00 0.00 P H +ATOM 140 C LYS 7 9.514 3.234 -20.727 0.00 0.00 P C +ATOM 141 O LYS 7 8.454 3.394 -21.337 0.00 0.00 P O +ATOM 142 N ASP 8 10.254 4.294 -20.287 0.00 0.00 P N +ATOM 143 HN ASP 8 10.994 4.194 -19.627 0.00 0.00 P H +ATOM 144 CA ASP 8 9.984 5.684 -20.547 0.00 0.00 P C +ATOM 145 HA ASP 8 9.554 5.954 -21.497 0.00 0.00 P H +ATOM 146 CB ASP 8 9.064 6.394 -19.567 0.00 0.00 P C +ATOM 147 HB1 ASP 8 8.174 5.744 -19.727 0.00 0.00 P H +ATOM 148 HB2 ASP 8 9.464 6.444 -18.537 0.00 0.00 P H +ATOM 149 CG ASP 8 8.494 7.824 -20.037 0.00 0.00 P C +ATOM 150 OD1 ASP 8 9.114 8.384 -20.917 0.00 0.00 P O +ATOM 151 OD2 ASP 8 7.344 8.254 -19.527 0.00 0.00 P O +ATOM 152 C ASP 8 11.444 6.194 -20.387 0.00 0.00 P C +ATOM 153 O ASP 8 12.294 5.654 -19.687 0.00 0.00 P O +ATOM 154 N VAL 9 11.754 7.424 -20.987 0.00 0.00 P N +ATOM 155 HN VAL 9 11.054 7.654 -21.657 0.00 0.00 P H +ATOM 156 CA VAL 9 13.104 8.094 -20.897 0.00 0.00 P C +ATOM 157 HA VAL 9 13.614 7.374 -20.287 0.00 0.00 P H +ATOM 158 CB VAL 9 13.504 8.334 -22.297 0.00 0.00 P C +ATOM 159 HB VAL 9 12.904 9.224 -22.607 0.00 0.00 P H +ATOM 160 CG1 VAL 9 14.964 8.744 -22.207 0.00 0.00 P C +ATOM 161 HG11 VAL 9 15.474 8.794 -23.197 0.00 0.00 P H +ATOM 162 HG12 VAL 9 15.074 9.724 -21.697 0.00 0.00 P H +ATOM 163 HG13 VAL 9 15.594 7.974 -21.707 0.00 0.00 P H +ATOM 164 CG2 VAL 9 13.294 7.174 -23.097 0.00 0.00 P C +ATOM 165 HG21 VAL 9 13.854 6.264 -22.797 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.244 6.804 -23.187 0.00 0.00 P H +ATOM 167 HG23 VAL 9 13.704 7.424 -24.097 0.00 0.00 P H +ATOM 168 C VAL 9 12.854 9.324 -20.037 0.00 0.00 P C +ATOM 169 O VAL 9 13.944 9.734 -19.487 0.00 0.00 P O +ATOM 170 N LYS 10 11.654 9.954 -19.827 0.00 0.00 P N +ATOM 171 HN LYS 10 10.914 9.574 -20.377 0.00 0.00 P H +ATOM 172 CA LYS 10 11.374 11.144 -19.067 0.00 0.00 P C +ATOM 173 HA LYS 10 11.984 12.014 -19.267 0.00 0.00 P H +ATOM 174 CB LYS 10 9.914 11.744 -19.287 0.00 0.00 P C +ATOM 175 HB1 LYS 10 9.134 11.024 -18.967 0.00 0.00 P H +ATOM 176 HB2 LYS 10 9.714 12.704 -18.757 0.00 0.00 P H +ATOM 177 CG LYS 10 9.564 12.054 -20.757 0.00 0.00 P C +ATOM 178 HG1 LYS 10 10.244 12.874 -21.067 0.00 0.00 P H +ATOM 179 HG2 LYS 10 9.794 11.204 -21.427 0.00 0.00 P H +ATOM 180 CD LYS 10 8.204 12.544 -20.987 0.00 0.00 P C +ATOM 181 HD1 LYS 10 7.984 13.444 -20.367 0.00 0.00 P H +ATOM 182 HD2 LYS 10 8.154 12.744 -22.077 0.00 0.00 P H +ATOM 183 CE LYS 10 7.004 11.544 -20.757 0.00 0.00 P C +ATOM 184 HE1 LYS 10 6.924 11.174 -19.717 0.00 0.00 P H +ATOM 185 HE2 LYS 10 6.084 11.964 -21.217 0.00 0.00 P H +ATOM 186 NZ LYS 10 7.194 10.304 -21.557 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 6.984 10.314 -22.577 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 8.114 9.804 -21.517 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 6.594 9.664 -20.997 0.00 0.00 P H +ATOM 190 C LYS 10 11.494 10.874 -17.497 0.00 0.00 P C +ATOM 191 O LYS 10 11.554 9.654 -17.167 0.00 0.00 P O +ATOM 192 N GLY 11 11.554 11.934 -16.617 0.00 0.00 P N +ATOM 193 HN GLY 11 11.674 12.894 -16.877 0.00 0.00 P H +ATOM 194 CA GLY 11 11.804 11.714 -15.197 0.00 0.00 P C +ATOM 195 HA1 GLY 11 11.624 10.684 -14.897 0.00 0.00 P H +ATOM 196 HA2 GLY 11 12.824 11.974 -14.967 0.00 0.00 P H +ATOM 197 C GLY 11 10.984 12.574 -14.367 0.00 0.00 P C +ATOM 198 O GLY 11 11.364 13.694 -14.077 0.00 0.00 P O +ATOM 199 N MET 12 9.724 12.234 -14.107 0.00 0.00 P N +ATOM 200 HN MET 12 9.354 11.394 -14.487 0.00 0.00 P H +ATOM 201 CA MET 12 8.724 13.144 -13.467 0.00 0.00 P C +ATOM 202 HA MET 12 9.304 14.004 -13.167 0.00 0.00 P H +ATOM 203 CB MET 12 7.714 13.584 -14.457 0.00 0.00 P C +ATOM 204 HB1 MET 12 7.144 12.724 -14.877 0.00 0.00 P H +ATOM 205 HB2 MET 12 6.914 14.224 -14.027 0.00 0.00 P H +ATOM 206 CG MET 12 8.214 14.394 -15.617 0.00 0.00 P C +ATOM 207 HG1 MET 12 9.154 13.954 -16.027 0.00 0.00 P H +ATOM 208 HG2 MET 12 7.604 14.284 -16.537 0.00 0.00 P H +ATOM 209 SD MET 12 8.314 16.234 -15.317 0.00 0.00 P S +ATOM 210 CE MET 12 8.644 16.854 -16.977 0.00 0.00 P C +ATOM 211 HE1 MET 12 9.424 16.214 -17.437 0.00 0.00 P H +ATOM 212 HE2 MET 12 7.744 16.774 -17.617 0.00 0.00 P H +ATOM 213 HE3 MET 12 9.034 17.874 -16.777 0.00 0.00 P H +ATOM 214 C MET 12 8.014 12.744 -12.197 0.00 0.00 P C +ATOM 215 O MET 12 7.584 11.594 -12.077 0.00 0.00 P O +ATOM 216 N GLY 13 8.124 13.434 -11.077 0.00 0.00 P N +ATOM 217 HN GLY 13 8.724 14.214 -10.907 0.00 0.00 P H +ATOM 218 CA GLY 13 7.424 13.314 -9.787 0.00 0.00 P C +ATOM 219 HA1 GLY 13 7.634 12.324 -9.417 0.00 0.00 P H +ATOM 220 HA2 GLY 13 7.644 13.954 -8.947 0.00 0.00 P H +ATOM 221 C GLY 13 5.994 13.354 -10.017 0.00 0.00 P C +ATOM 222 O GLY 13 5.354 13.734 -11.107 0.00 0.00 P O +ATOM 223 N LYS 14 5.294 12.944 -8.987 0.00 0.00 P N +ATOM 224 HN LYS 14 5.714 12.984 -8.077 0.00 0.00 P H +ATOM 225 CA LYS 14 3.944 12.584 -8.987 0.00 0.00 P C +ATOM 226 HA LYS 14 3.444 12.924 -9.887 0.00 0.00 P H +ATOM 227 CB LYS 14 3.774 11.024 -9.127 0.00 0.00 P C +ATOM 228 HB1 LYS 14 2.774 10.864 -9.577 0.00 0.00 P H +ATOM 229 HB2 LYS 14 4.634 10.924 -9.827 0.00 0.00 P H +ATOM 230 CG LYS 14 4.124 10.234 -7.827 0.00 0.00 P C +ATOM 231 HG1 LYS 14 5.084 10.624 -7.437 0.00 0.00 P H +ATOM 232 HG2 LYS 14 3.354 10.374 -7.027 0.00 0.00 P H +ATOM 233 CD LYS 14 4.084 8.664 -8.087 0.00 0.00 P C +ATOM 234 HD1 LYS 14 4.974 8.554 -8.747 0.00 0.00 P H +ATOM 235 HD2 LYS 14 4.404 8.134 -7.167 0.00 0.00 P H +ATOM 236 CE LYS 14 2.784 8.214 -8.537 0.00 0.00 P C +ATOM 237 HE1 LYS 14 2.234 7.824 -7.657 0.00 0.00 P H +ATOM 238 HE2 LYS 14 2.064 8.784 -9.157 0.00 0.00 P H +ATOM 239 NZ LYS 14 3.144 7.004 -9.227 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 3.634 6.314 -8.627 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 2.374 6.404 -9.607 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 3.824 7.224 -9.987 0.00 0.00 P H +ATOM 243 C LYS 14 3.214 13.064 -7.707 0.00 0.00 P C +ATOM 244 O LYS 14 3.824 13.414 -6.687 0.00 0.00 P O +ATOM 245 N LYS 15 1.954 13.454 -7.927 0.00 0.00 P N +ATOM 246 HN LYS 15 1.694 13.704 -8.857 0.00 0.00 P H +ATOM 247 CA LYS 15 1.254 14.264 -6.857 0.00 0.00 P C +ATOM 248 HA LYS 15 1.794 14.474 -5.947 0.00 0.00 P H +ATOM 249 CB LYS 15 0.464 15.504 -7.437 0.00 0.00 P C +ATOM 250 HB1 LYS 15 -0.356 15.124 -8.087 0.00 0.00 P H +ATOM 251 HB2 LYS 15 -0.176 15.884 -6.617 0.00 0.00 P H +ATOM 252 CG LYS 15 1.154 16.724 -8.157 0.00 0.00 P C +ATOM 253 HG1 LYS 15 1.194 16.344 -9.197 0.00 0.00 P H +ATOM 254 HG2 LYS 15 0.374 17.514 -8.147 0.00 0.00 P H +ATOM 255 CD LYS 15 2.384 17.214 -7.487 0.00 0.00 P C +ATOM 256 HD1 LYS 15 2.194 17.564 -6.457 0.00 0.00 P H +ATOM 257 HD2 LYS 15 3.194 16.454 -7.447 0.00 0.00 P H +ATOM 258 CE LYS 15 3.014 18.564 -8.157 0.00 0.00 P C +ATOM 259 HE1 LYS 15 3.254 18.294 -9.207 0.00 0.00 P H +ATOM 260 HE2 LYS 15 2.174 19.304 -8.187 0.00 0.00 P H +ATOM 261 NZ LYS 15 4.234 19.054 -7.457 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 4.714 19.824 -7.957 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 3.774 19.544 -6.657 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 4.804 18.254 -7.117 0.00 0.00 P H +ATOM 265 C LYS 15 0.074 13.324 -6.237 0.00 0.00 P C +ATOM 266 O LYS 15 -0.866 13.104 -7.077 0.00 0.00 P O +ATOM 267 N GLY 16 0.084 12.764 -4.977 0.00 0.00 P N +ATOM 268 HN GLY 16 0.994 12.734 -4.557 0.00 0.00 P H +ATOM 269 CA GLY 16 -1.096 12.274 -4.247 0.00 0.00 P C +ATOM 270 HA1 GLY 16 -1.526 11.324 -4.517 0.00 0.00 P H +ATOM 271 HA2 GLY 16 -0.676 12.354 -3.257 0.00 0.00 P H +ATOM 272 C GLY 16 -2.296 13.274 -3.967 0.00 0.00 P C +ATOM 273 O GLY 16 -2.156 14.344 -3.567 0.00 0.00 P O +ATOM 274 N GLU 17 -3.526 12.774 -3.957 0.00 0.00 P N +ATOM 275 HN GLU 17 -3.806 11.824 -4.027 0.00 0.00 P H +ATOM 276 CA GLU 17 -4.646 13.654 -3.707 0.00 0.00 P C +ATOM 277 HA GLU 17 -4.526 14.474 -4.397 0.00 0.00 P H +ATOM 278 CB GLU 17 -5.896 12.964 -4.217 0.00 0.00 P C +ATOM 279 HB1 GLU 17 -5.676 13.004 -5.307 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -5.916 11.884 -3.917 0.00 0.00 P H +ATOM 281 CG GLU 17 -7.246 13.544 -3.947 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -8.026 12.914 -4.437 0.00 0.00 P H +ATOM 283 HG2 GLU 17 -7.396 13.474 -2.847 0.00 0.00 P H +ATOM 284 CD GLU 17 -7.536 14.854 -4.567 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -7.666 15.844 -3.827 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -7.886 14.974 -5.807 0.00 0.00 P O +ATOM 287 C GLU 17 -4.826 14.254 -2.297 0.00 0.00 P C +ATOM 288 O GLU 17 -4.326 13.694 -1.307 0.00 0.00 P O +ATOM 289 N ILE 18 -5.486 15.464 -2.167 0.00 0.00 P N +ATOM 290 HN ILE 18 -6.076 15.814 -2.897 0.00 0.00 P H +ATOM 291 CA ILE 18 -5.466 16.154 -0.937 0.00 0.00 P C +ATOM 292 HA ILE 18 -4.726 15.844 -0.227 0.00 0.00 P H +ATOM 293 CB ILE 18 -5.196 17.684 -1.107 0.00 0.00 P C +ATOM 294 HB ILE 18 -4.116 17.664 -1.387 0.00 0.00 P H +ATOM 295 CG2 ILE 18 -6.066 18.404 -2.227 0.00 0.00 P C +ATOM 296 HG21 ILE 18 -7.046 18.574 -1.747 0.00 0.00 P H +ATOM 297 HG22 ILE 18 -5.716 19.364 -2.677 0.00 0.00 P H +ATOM 298 HG23 ILE 18 -6.166 17.674 -3.057 0.00 0.00 P H +ATOM 299 CG1 ILE 18 -5.256 18.524 0.173 0.00 0.00 P C +ATOM 300 HG11 ILE 18 -6.246 19.024 0.233 0.00 0.00 P H +ATOM 301 HG12 ILE 18 -5.336 18.044 1.173 0.00 0.00 P H +ATOM 302 CD ILE 18 -4.206 19.534 0.333 0.00 0.00 P C +ATOM 303 HD1 ILE 18 -4.146 19.564 1.443 0.00 0.00 P H +ATOM 304 HD2 ILE 18 -3.186 19.394 -0.077 0.00 0.00 P H +ATOM 305 HD3 ILE 18 -4.466 20.554 -0.027 0.00 0.00 P H +ATOM 306 C ILE 18 -6.636 15.914 -0.077 0.00 0.00 P C +ATOM 307 O ILE 18 -6.666 15.894 1.183 0.00 0.00 P O +ATOM 308 N LYS 19 -7.726 15.504 -0.677 0.00 0.00 P N +ATOM 309 HN LYS 19 -7.886 15.834 -1.607 0.00 0.00 P H +ATOM 310 CA LYS 19 -8.876 14.844 -0.097 0.00 0.00 P C +ATOM 311 HA LYS 19 -9.246 15.484 0.703 0.00 0.00 P H +ATOM 312 CB LYS 19 -10.116 14.934 -1.007 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -9.866 14.384 -1.937 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -11.076 14.704 -0.517 0.00 0.00 P H +ATOM 315 CG LYS 19 -10.346 16.344 -1.687 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -10.646 16.814 -0.727 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -9.406 16.904 -1.897 0.00 0.00 P H +ATOM 318 CD LYS 19 -11.446 16.334 -2.777 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -12.336 15.764 -2.437 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -11.766 17.384 -2.937 0.00 0.00 P H +ATOM 321 CE LYS 19 -10.826 15.874 -4.097 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -10.106 15.034 -4.017 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -11.586 15.664 -4.867 0.00 0.00 P H +ATOM 324 NZ LYS 19 -9.986 16.974 -4.617 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -10.216 17.084 -5.627 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -9.986 17.884 -4.117 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -9.056 16.524 -4.607 0.00 0.00 P H +ATOM 328 C LYS 19 -8.816 13.474 0.473 0.00 0.00 P C +ATOM 329 O LYS 19 -9.736 13.084 1.153 0.00 0.00 P O +ATOM 330 N ASN 20 -7.766 12.794 0.173 0.00 0.00 P N +ATOM 331 HN ASN 20 -7.006 13.274 -0.267 0.00 0.00 P H +ATOM 332 CA ASN 20 -7.436 11.504 0.573 0.00 0.00 P C +ATOM 333 HA ASN 20 -8.186 11.254 1.313 0.00 0.00 P H +ATOM 334 CB ASN 20 -7.276 10.474 -0.577 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -8.246 10.504 -1.117 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -6.456 10.874 -1.217 0.00 0.00 P H +ATOM 337 CG ASN 20 -7.166 8.944 -0.187 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -7.176 8.014 -0.997 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -7.196 8.604 1.123 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -7.406 7.634 1.223 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -7.406 9.384 1.713 0.00 0.00 P H +ATOM 342 C ASN 20 -6.156 11.474 1.303 0.00 0.00 P C +ATOM 343 O ASN 20 -5.146 11.254 0.623 0.00 0.00 P O +ATOM 344 N VAL 21 -6.056 11.834 2.613 0.00 0.00 P N +ATOM 345 HN VAL 21 -6.926 12.154 2.983 0.00 0.00 P H +ATOM 346 CA VAL 21 -4.986 11.844 3.483 0.00 0.00 P C +ATOM 347 HA VAL 21 -4.096 11.724 2.873 0.00 0.00 P H +ATOM 348 CB VAL 21 -4.726 13.224 4.233 0.00 0.00 P C +ATOM 349 HB VAL 21 -3.656 13.304 4.543 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -5.116 14.334 3.203 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -4.686 15.314 3.523 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -4.696 14.254 2.173 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.206 14.264 2.983 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.646 13.294 5.463 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -5.396 14.234 6.013 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -6.636 13.504 5.013 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.676 12.384 6.093 0.00 0.00 P H +ATOM 358 C VAL 21 -4.956 10.664 4.313 0.00 0.00 P C +ATOM 359 O VAL 21 -5.946 9.974 4.323 0.00 0.00 P O +ATOM 360 N ALA 22 -3.896 10.354 5.053 0.00 0.00 P N +ATOM 361 HN ALA 22 -3.136 10.984 4.963 0.00 0.00 P H +ATOM 362 CA ALA 22 -3.826 9.154 5.803 0.00 0.00 P C +ATOM 363 HA ALA 22 -4.306 8.384 5.213 0.00 0.00 P H +ATOM 364 CB ALA 22 -2.276 8.804 6.033 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -1.696 9.514 6.673 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -2.296 7.854 6.603 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -1.916 8.784 4.983 0.00 0.00 P H +ATOM 368 C ALA 22 -4.516 9.274 7.123 0.00 0.00 P C +ATOM 369 O ALA 22 -4.486 10.274 7.823 0.00 0.00 P O +ATOM 370 N ASP 23 -5.156 8.164 7.553 0.00 0.00 P N +ATOM 371 HN ASP 23 -5.446 7.374 7.033 0.00 0.00 P H +ATOM 372 CA ASP 23 -5.936 8.074 8.843 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.476 9.014 8.793 0.00 0.00 P H +ATOM 374 CB ASP 23 -6.896 6.804 9.003 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -6.266 5.904 8.843 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.156 6.704 10.073 0.00 0.00 P H +ATOM 377 CG ASP 23 -8.006 6.694 8.003 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -8.026 7.124 6.823 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -8.776 5.694 8.283 0.00 0.00 P O +ATOM 380 C ASP 23 -5.056 8.294 10.003 0.00 0.00 P C +ATOM 381 O ASP 23 -4.256 7.454 10.283 0.00 0.00 P O +ATOM 382 N GLY 24 -5.156 9.494 10.653 0.00 0.00 P N +ATOM 383 HN GLY 24 -5.676 10.164 10.143 0.00 0.00 P H +ATOM 384 CA GLY 24 -4.256 9.944 11.733 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -3.356 9.614 11.243 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -4.406 11.014 11.833 0.00 0.00 P H +ATOM 387 C GLY 24 -4.366 9.234 13.013 0.00 0.00 P C +ATOM 388 O GLY 24 -3.426 8.884 13.753 0.00 0.00 P O +ATOM 389 N TYR 25 -5.546 8.974 13.523 0.00 0.00 P N +ATOM 390 HN TYR 25 -6.246 9.344 12.923 0.00 0.00 P H +ATOM 391 CA TYR 25 -5.836 8.174 14.673 0.00 0.00 P C +ATOM 392 HA TYR 25 -4.986 7.864 15.253 0.00 0.00 P H +ATOM 393 CB TYR 25 -6.906 8.984 15.573 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -7.816 9.164 14.953 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -7.146 8.424 16.503 0.00 0.00 P H +ATOM 396 CG TYR 25 -6.236 10.184 16.073 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -6.506 11.404 15.533 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -7.266 11.404 14.763 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -5.836 12.554 15.953 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -6.026 13.504 15.483 0.00 0.00 P H +ATOM 401 CZ TYR 25 -4.926 12.404 17.053 0.00 0.00 P C +ATOM 402 OH TYR 25 -4.526 13.664 17.603 0.00 0.00 P O +ATOM 403 HH TYR 25 -4.606 14.214 16.813 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -5.246 10.024 17.063 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -4.796 9.114 17.453 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -4.506 11.134 17.433 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -3.746 11.134 18.193 0.00 0.00 P H +ATOM 408 C TYR 25 -6.496 6.784 14.293 0.00 0.00 P C +ATOM 409 O TYR 25 -7.596 6.394 14.653 0.00 0.00 P O +ATOM 410 N ALA 26 -5.716 6.054 13.373 0.00 0.00 P N +ATOM 411 HN ALA 26 -4.796 6.414 13.293 0.00 0.00 P H +ATOM 412 CA ALA 26 -6.136 4.764 12.983 0.00 0.00 P C +ATOM 413 HA ALA 26 -7.206 4.704 13.013 0.00 0.00 P H +ATOM 414 CB ALA 26 -5.576 4.374 11.513 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -6.066 3.474 11.093 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -5.696 5.204 10.783 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -4.476 4.424 11.643 0.00 0.00 P H +ATOM 418 C ALA 26 -5.616 3.724 13.983 0.00 0.00 P C +ATOM 419 O ALA 26 -4.526 3.704 14.553 0.00 0.00 P O +ATOM 420 N ASN 27 -6.446 2.664 14.213 0.00 0.00 P N +ATOM 421 HN ASN 27 -7.386 2.504 13.943 0.00 0.00 P H +ATOM 422 CA ASN 27 -6.096 1.674 15.153 0.00 0.00 P C +ATOM 423 HA ASN 27 -5.066 1.744 15.463 0.00 0.00 P H +ATOM 424 CB ASN 27 -7.106 1.824 16.453 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -7.096 2.924 16.573 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -8.116 1.434 16.213 0.00 0.00 P H +ATOM 427 CG ASN 27 -6.586 0.994 17.633 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -5.556 0.274 17.683 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -7.476 1.024 18.663 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -8.246 1.654 18.613 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -7.536 0.274 19.323 0.00 0.00 P H +ATOM 432 C ASN 27 -6.246 0.334 14.493 0.00 0.00 P C +ATOM 433 O ASN 27 -7.236 -0.016 13.943 0.00 0.00 P O +ATOM 434 N ASN 28 -5.066 -0.426 14.673 0.00 0.00 P N +ATOM 435 HN ASN 28 -4.256 -0.136 15.173 0.00 0.00 P H +ATOM 436 CA ASN 28 -4.736 -1.696 14.023 0.00 0.00 P C +ATOM 437 HA ASN 28 -5.306 -1.726 13.113 0.00 0.00 P H +ATOM 438 CB ASN 28 -3.266 -1.756 13.583 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -2.666 -1.606 14.513 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -3.166 -2.766 13.133 0.00 0.00 P H +ATOM 441 CG ASN 28 -2.736 -0.766 12.473 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -1.486 -0.556 12.543 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -3.476 -0.186 11.593 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -4.316 -0.686 11.373 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -3.056 0.504 11.003 0.00 0.00 P H +ATOM 446 C ASN 28 -5.256 -2.836 14.793 0.00 0.00 P C +ATOM 447 O ASN 28 -4.896 -3.106 15.933 0.00 0.00 P O +ATOM 448 N PHE 29 -6.256 -3.596 14.263 0.00 0.00 P N +ATOM 449 HN PHE 29 -6.826 -3.436 13.463 0.00 0.00 P H +ATOM 450 CA PHE 29 -6.816 -4.796 14.923 0.00 0.00 P C +ATOM 451 HA PHE 29 -7.066 -4.436 15.903 0.00 0.00 P H +ATOM 452 CB PHE 29 -7.976 -5.526 14.143 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -7.956 -5.876 13.093 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -8.276 -6.366 14.813 0.00 0.00 P H +ATOM 455 CG PHE 29 -9.076 -4.416 14.073 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -10.106 -4.446 13.063 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -10.166 -5.116 12.213 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -11.006 -3.416 12.973 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -11.776 -3.426 12.213 0.00 0.00 P H +ATOM 460 CZ PHE 29 -11.106 -2.546 14.003 0.00 0.00 P C +ATOM 461 HZ PHE 29 -11.786 -1.716 13.833 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -9.216 -3.576 15.123 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -8.676 -3.586 16.053 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.256 -2.596 15.153 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.386 -1.996 16.043 0.00 0.00 P H +ATOM 466 C PHE 29 -5.666 -5.866 15.073 0.00 0.00 P C +ATOM 467 O PHE 29 -4.696 -6.096 14.333 0.00 0.00 P O +ATOM 468 N LEU 30 -5.586 -6.406 16.303 0.00 0.00 P N +ATOM 469 HN LEU 30 -6.036 -5.936 17.053 0.00 0.00 P H +ATOM 470 CA LEU 30 -4.616 -7.346 16.733 0.00 0.00 P C +ATOM 471 HA LEU 30 -3.746 -6.896 16.293 0.00 0.00 P H +ATOM 472 CB LEU 30 -4.676 -7.366 18.333 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -5.586 -7.816 18.793 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -3.766 -7.986 18.463 0.00 0.00 P H +ATOM 475 CG LEU 30 -4.276 -5.986 18.933 0.00 0.00 P C +ATOM 476 HG LEU 30 -4.956 -5.116 18.783 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -4.186 -6.206 20.453 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -3.696 -5.346 20.953 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -5.066 -6.566 21.033 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -3.366 -6.946 20.473 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -2.996 -5.526 18.273 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -2.316 -6.386 18.073 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -3.256 -5.046 17.313 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -2.356 -4.826 18.863 0.00 0.00 P H +ATOM 485 C LEU 30 -4.856 -8.816 16.193 0.00 0.00 P C +ATOM 486 O LEU 30 -5.966 -9.146 15.753 0.00 0.00 P O +ATOM 487 N PHE 31 -3.886 -9.746 16.233 0.00 0.00 P N +ATOM 488 HN PHE 31 -3.016 -9.396 16.593 0.00 0.00 P H +ATOM 489 CA PHE 31 -3.846 -11.006 15.583 0.00 0.00 P C +ATOM 490 HA PHE 31 -3.746 -10.906 14.513 0.00 0.00 P H +ATOM 491 CB PHE 31 -2.466 -11.796 15.883 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -1.656 -11.036 15.803 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -2.526 -12.246 16.903 0.00 0.00 P H +ATOM 494 CG PHE 31 -1.996 -12.886 14.903 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -2.196 -14.266 15.163 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -2.586 -14.596 16.123 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -1.836 -15.216 14.183 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -2.136 -16.246 14.333 0.00 0.00 P H +ATOM 499 CZ PHE 31 -1.256 -14.796 12.943 0.00 0.00 P C +ATOM 500 HZ PHE 31 -1.116 -15.536 12.173 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -1.406 -12.566 13.663 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -1.226 -11.516 13.523 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -1.106 -13.456 12.713 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -0.626 -13.256 11.773 0.00 0.00 P H +ATOM 505 C PHE 31 -5.116 -11.976 15.823 0.00 0.00 P C +ATOM 506 O PHE 31 -5.576 -11.976 16.903 0.00 0.00 P O +ATOM 507 N LYS 32 -5.616 -12.656 14.803 0.00 0.00 P N +ATOM 508 HN LYS 32 -5.286 -12.496 13.883 0.00 0.00 P H +ATOM 509 CA LYS 32 -6.866 -13.476 14.783 0.00 0.00 P C +ATOM 510 HA LYS 32 -7.706 -12.826 14.973 0.00 0.00 P H +ATOM 511 CB LYS 32 -6.976 -13.966 13.343 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -7.256 -13.036 12.803 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -5.956 -14.326 13.083 0.00 0.00 P H +ATOM 514 CG LYS 32 -8.206 -14.886 13.083 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -8.176 -15.276 12.043 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.046 -15.756 13.753 0.00 0.00 P H +ATOM 517 CD LYS 32 -9.526 -14.346 13.583 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -10.246 -15.186 13.643 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -9.456 -13.926 14.613 0.00 0.00 P H +ATOM 520 CE LYS 32 -10.216 -13.246 12.753 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -9.526 -12.396 12.613 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -10.326 -13.466 11.673 0.00 0.00 P H +ATOM 523 NZ LYS 32 -11.376 -12.656 13.343 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -11.536 -11.646 13.133 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -12.206 -13.256 13.143 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -11.146 -12.756 14.353 0.00 0.00 P H +ATOM 527 C LYS 32 -7.036 -14.626 15.793 0.00 0.00 P C +ATOM 528 O LYS 32 -8.156 -14.776 16.303 0.00 0.00 P O +ATOM 529 N GLN 33 -5.916 -15.416 16.033 0.00 0.00 P N +ATOM 530 HN GLN 33 -5.146 -15.316 15.413 0.00 0.00 P H +ATOM 531 CA GLN 33 -6.006 -16.386 17.063 0.00 0.00 P C +ATOM 532 HA GLN 33 -6.986 -16.836 17.113 0.00 0.00 P H +ATOM 533 CB GLN 33 -5.116 -17.506 16.573 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -4.096 -17.166 16.293 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -5.076 -18.286 17.353 0.00 0.00 P H +ATOM 536 CG GLN 33 -5.696 -18.366 15.433 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -6.586 -18.956 15.753 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -5.896 -17.756 14.523 0.00 0.00 P H +ATOM 539 CD GLN 33 -4.686 -19.466 15.043 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -3.596 -19.696 15.463 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -5.176 -20.206 14.023 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -4.496 -20.826 13.633 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -6.116 -20.196 13.673 0.00 0.00 P H +ATOM 544 C GLN 33 -5.476 -15.996 18.453 0.00 0.00 P C +ATOM 545 O GLN 33 -5.096 -16.846 19.243 0.00 0.00 P O +ATOM 546 N GLY 34 -5.376 -14.686 18.773 0.00 0.00 P N +ATOM 547 HN GLY 34 -5.766 -13.976 18.203 0.00 0.00 P H +ATOM 548 CA GLY 34 -4.726 -14.236 19.973 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -4.466 -13.206 19.773 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -5.316 -14.496 20.843 0.00 0.00 P H +ATOM 551 C GLY 34 -3.306 -14.796 20.263 0.00 0.00 P C +ATOM 552 O GLY 34 -2.446 -14.536 19.493 0.00 0.00 P O +ATOM 553 N LEU 35 -3.136 -15.466 21.403 0.00 0.00 P N +ATOM 554 HN LEU 35 -3.936 -15.766 21.913 0.00 0.00 P H +ATOM 555 CA LEU 35 -1.926 -16.096 21.923 0.00 0.00 P C +ATOM 556 HA LEU 35 -1.326 -15.286 22.303 0.00 0.00 P H +ATOM 557 CB LEU 35 -2.336 -17.236 22.813 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -2.826 -18.076 22.263 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -1.446 -17.656 23.313 0.00 0.00 P H +ATOM 560 CG LEU 35 -3.486 -16.966 23.953 0.00 0.00 P C +ATOM 561 HG LEU 35 -4.446 -16.616 23.523 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -3.816 -18.206 24.723 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -4.576 -18.766 24.133 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -2.926 -18.866 24.783 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -4.106 -17.896 25.753 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -2.886 -15.896 24.953 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -2.616 -14.916 24.493 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -3.376 -15.806 25.943 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -1.966 -16.486 25.163 0.00 0.00 P H +ATOM 570 C LEU 35 -1.066 -16.756 20.793 0.00 0.00 P C +ATOM 571 O LEU 35 0.144 -16.616 20.733 0.00 0.00 P O +ATOM 572 N ALA 36 -1.716 -17.676 19.953 0.00 0.00 P N +ATOM 573 HN ALA 36 -2.686 -17.816 20.133 0.00 0.00 P H +ATOM 574 CA ALA 36 -1.246 -18.176 18.703 0.00 0.00 P C +ATOM 575 HA ALA 36 -2.026 -18.806 18.313 0.00 0.00 P H +ATOM 576 CB ALA 36 -1.156 -17.056 17.643 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -2.086 -16.446 17.603 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -0.416 -16.266 17.893 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -0.946 -17.536 16.663 0.00 0.00 P H +ATOM 580 C ALA 36 0.044 -18.946 18.893 0.00 0.00 P C +ATOM 581 O ALA 36 0.954 -18.876 18.053 0.00 0.00 P O +ATOM 582 N ILE 37 0.174 -19.736 20.023 0.00 0.00 P N +ATOM 583 HN ILE 37 -0.586 -19.786 20.673 0.00 0.00 P H +ATOM 584 CA ILE 37 1.334 -20.496 20.303 0.00 0.00 P C +ATOM 585 HA ILE 37 2.094 -20.146 19.623 0.00 0.00 P H +ATOM 586 CB ILE 37 1.874 -20.256 21.763 0.00 0.00 P C +ATOM 587 HB ILE 37 2.464 -21.146 22.063 0.00 0.00 P H +ATOM 588 CG2 ILE 37 2.814 -18.946 21.663 0.00 0.00 P C +ATOM 589 HG21 ILE 37 2.064 -18.126 21.653 0.00 0.00 P H +ATOM 590 HG22 ILE 37 3.484 -19.046 22.543 0.00 0.00 P H +ATOM 591 HG23 ILE 37 3.394 -18.936 20.713 0.00 0.00 P H +ATOM 592 CG1 ILE 37 0.684 -20.216 22.833 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -0.016 -19.386 22.613 0.00 0.00 P H +ATOM 594 HG12 ILE 37 0.004 -21.036 22.543 0.00 0.00 P H +ATOM 595 CD ILE 37 0.864 -20.206 24.353 0.00 0.00 P C +ATOM 596 HD1 ILE 37 0.044 -19.776 24.963 0.00 0.00 P H +ATOM 597 HD2 ILE 37 1.154 -21.256 24.603 0.00 0.00 P H +ATOM 598 HD3 ILE 37 1.794 -19.606 24.363 0.00 0.00 P H +ATOM 599 C ILE 37 1.204 -21.946 19.933 0.00 0.00 P C +ATOM 600 O ILE 37 2.034 -22.836 19.923 0.00 0.00 P O +ATOM 601 N GLU 38 -0.106 -22.166 19.643 0.00 0.00 P N +ATOM 602 HN GLU 38 -0.796 -21.506 19.923 0.00 0.00 P H +ATOM 603 CA GLU 38 -0.576 -23.486 19.103 0.00 0.00 P C +ATOM 604 HA GLU 38 0.084 -24.226 19.523 0.00 0.00 P H +ATOM 605 CB GLU 38 -2.106 -23.796 19.273 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -2.666 -23.036 18.703 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -2.366 -24.806 18.893 0.00 0.00 P H +ATOM 608 CG GLU 38 -2.426 -23.826 20.803 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -1.946 -24.776 21.103 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -1.976 -22.996 21.393 0.00 0.00 P H +ATOM 611 CD GLU 38 -3.856 -24.006 20.993 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -4.626 -23.086 20.713 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -4.286 -25.126 21.513 0.00 0.00 P O +ATOM 614 C GLU 38 -0.316 -23.476 17.613 0.00 0.00 P C +ATOM 615 O GLU 38 -0.746 -24.436 16.893 0.00 0.00 P O +ATOM 616 N ALA 39 0.234 -22.426 17.033 0.00 0.00 P N +ATOM 617 HN ALA 39 0.684 -21.706 17.563 0.00 0.00 P H +ATOM 618 CA ALA 39 0.484 -22.196 15.623 0.00 0.00 P C +ATOM 619 HA ALA 39 0.084 -22.936 14.943 0.00 0.00 P H +ATOM 620 CB ALA 39 -0.356 -20.996 15.103 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -0.166 -20.806 14.033 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -1.456 -21.056 15.263 0.00 0.00 P H +ATOM 623 HB3 ALA 39 0.214 -20.186 15.613 0.00 0.00 P H +ATOM 624 C ALA 39 1.864 -21.986 15.303 0.00 0.00 P C +ATOM 625 O ALA 39 2.764 -21.796 16.153 0.00 0.00 P O +ATOM 626 NT ALA 39 2.164 -22.016 13.933 0.00 0.00 P N +ATOM 627 HNT ALA 39 1.404 -22.306 13.343 0.00 0.00 P H +ATOM 628 CAT ALA 39 3.454 -22.236 13.393 0.00 0.00 P C +ATOM 629 HT1 ALA 39 3.604 -23.306 13.123 0.00 0.00 P H +ATOM 630 HT2 ALA 39 3.724 -21.636 12.493 0.00 0.00 P H +ATOM 631 HT3 ALA 39 4.214 -22.076 14.183 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 23.955 -21.368 -19.173 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 24.125 -22.098 -19.773 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 23.945 -20.588 -19.733 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 3.016 -23.638 -5.057 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 3.056 -22.698 -4.877 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 3.766 -23.808 -5.617 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 2.775 -4.771 -5.286 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 2.565 -4.811 -6.226 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 3.425 -5.461 -5.156 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -2.306 16.675 -11.947 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -1.756 15.955 -12.247 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -2.946 16.795 -12.647 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 7.722 -23.340 -12.601 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 8.412 -23.970 -12.791 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.912 -23.840 -12.651 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 9.545 20.877 24.725 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 10.005 21.637 25.075 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 9.175 21.177 23.895 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 -1.877 -5.227 11.428 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 -2.757 -5.117 11.088 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 -1.317 -4.827 10.768 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -22.096 15.862 18.678 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -22.916 15.932 18.188 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -21.426 16.172 18.068 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 11.670 -19.587 7.141 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 11.480 -19.747 6.211 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 11.200 -18.777 7.341 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 5.091 -25.190 -12.699 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 4.191 -25.030 -12.979 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 5.111 -24.890 -11.789 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 6.910 -18.748 -5.791 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 7.520 -18.018 -5.751 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 7.450 -19.518 -5.641 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 -10.424 22.097 22.705 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 -9.954 21.347 23.065 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 -10.614 21.847 21.805 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 4.426 17.107 -24.303 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 4.256 18.047 -24.383 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 3.926 16.707 -25.023 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 6.032 -17.283 -9.939 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 5.532 -16.683 -10.489 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 5.372 -17.703 -9.379 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 18.735 8.713 16.951 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 17.855 9.073 17.071 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 18.615 7.953 16.381 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 -15.895 5.973 15.208 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 -15.855 5.013 15.188 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 -15.955 6.223 14.288 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 15.272 16.517 9.541 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 14.462 16.787 9.971 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 15.902 17.207 9.761 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 13.182 15.665 6.517 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 13.052 16.575 6.787 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 13.262 15.705 5.567 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -19.668 11.507 18.395 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -19.068 12.217 18.155 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -20.038 11.217 17.555 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 17.895 -16.383 -7.419 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 17.065 -16.333 -6.949 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 17.655 -16.703 -8.289 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 13.316 -6.289 4.478 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 13.096 -5.409 4.198 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 13.156 -6.829 3.698 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 17.834 10.325 -21.329 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 17.484 11.215 -21.309 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 17.064 9.765 -21.189 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -2.019 17.155 -22.439 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -1.679 16.705 -23.219 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -2.319 16.455 -21.869 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 2.305 -12.793 -16.071 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 1.595 -12.683 -15.431 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 2.355 -11.953 -16.521 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 -23.993 -9.166 -21.011 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 -23.243 -8.566 -21.041 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 -24.303 -9.196 -21.911 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -3.034 -8.079 -11.946 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -3.284 -7.159 -11.926 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -2.604 -8.239 -11.106 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -9.228 -18.073 -20.635 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -9.708 -17.243 -20.675 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -9.768 -18.633 -20.075 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 -6.707 19.425 21.429 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 -6.267 20.215 21.119 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 -6.237 19.175 22.229 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -24.606 2.921 -18.423 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -25.396 2.661 -17.943 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -23.906 2.401 -18.023 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 5.190 6.185 -19.337 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 5.610 6.935 -18.927 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 5.420 6.245 -20.257 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 17.104 -14.137 -4.038 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 17.884 -13.877 -4.528 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 16.584 -13.337 -3.968 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 -10.083 -14.903 2.928 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 -9.553 -14.933 3.728 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 -10.513 -14.053 2.958 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 16.764 -24.477 -10.561 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 16.564 -25.107 -9.871 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 15.974 -23.937 -10.641 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 -8.545 -11.048 -16.741 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 -7.745 -10.608 -17.021 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 -8.375 -11.978 -16.901 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 9.999 16.685 -2.965 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 10.229 17.185 -3.755 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 9.039 16.695 -2.945 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -16.656 -14.667 -16.766 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -17.526 -14.277 -16.836 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -16.266 -14.567 -17.636 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 7.804 20.585 19.443 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 7.364 20.025 20.083 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 7.144 21.235 19.193 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 -9.945 -18.567 12.138 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 -10.405 -19.157 11.538 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 -9.795 -17.767 11.628 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -17.004 10.154 -9.681 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -17.724 10.774 -9.561 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -16.234 10.704 -9.821 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 5.164 -22.019 -6.459 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 5.394 -21.429 -5.739 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 5.944 -22.059 -6.999 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -22.387 21.830 0.865 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -21.817 21.510 1.565 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -22.827 21.050 0.545 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 -11.499 -3.190 1.928 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 -11.939 -2.720 2.638 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 -10.769 -3.630 2.348 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 -17.997 2.945 -17.332 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 -17.407 3.605 -16.982 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 -18.697 2.875 -16.672 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 -25.116 18.283 -5.629 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 -24.856 17.363 -5.659 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 -25.436 18.463 -6.519 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 23.155 -24.226 16.353 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 22.485 -24.396 17.013 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 23.985 -24.276 16.843 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 -24.429 -5.066 -1.955 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 -24.119 -5.206 -2.845 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 -25.339 -5.366 -1.965 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 1.994 -4.180 8.002 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 2.444 -3.480 7.542 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 1.854 -4.860 7.332 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -6.247 -4.383 23.921 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -6.127 -3.493 23.601 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -5.947 -4.363 24.831 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 23.040 10.147 3.541 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 22.850 9.377 4.081 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 23.470 9.797 2.761 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 15.465 8.293 -15.001 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 14.605 8.693 -15.121 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 15.845 8.753 -14.251 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 18.402 3.395 8.464 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 18.462 2.765 7.744 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 19.052 3.095 9.094 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 8.502 4.676 -11.869 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 9.312 4.856 -12.349 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 8.752 4.056 -11.189 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 -8.286 -3.516 -16.857 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 -7.616 -3.006 -17.317 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 -7.796 -4.116 -16.297 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 -20.996 -0.206 -24.967 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 -21.456 -0.796 -24.367 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 -20.326 0.214 -24.427 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 10.031 -13.309 -14.213 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 10.911 -12.939 -14.143 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 10.121 -14.209 -13.893 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -21.947 -7.105 1.764 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -21.917 -7.775 1.074 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -21.037 -6.995 2.034 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 14.792 11.096 -5.476 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.032 10.346 -6.026 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 14.722 11.826 -6.076 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 -10.337 -8.954 -7.855 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 -9.427 -9.244 -7.795 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 -10.647 -9.294 -8.695 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 17.045 1.816 -11.421 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 16.725 2.716 -11.441 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 17.835 1.836 -11.961 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -15.284 0.527 6.989 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -15.424 1.467 6.869 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -15.404 0.157 6.119 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 6.354 5.267 -21.637 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 7.274 5.017 -21.627 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 5.874 4.437 -21.567 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 -3.333 20.485 -3.313 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 -3.953 21.125 -2.983 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 -2.723 20.345 -2.583 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -3.981 22.857 -7.271 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -3.711 21.997 -6.961 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -4.941 22.797 -7.341 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -19.157 -19.163 -4.919 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -18.717 -18.693 -4.209 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -19.657 -19.853 -4.489 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -1.359 5.941 18.385 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -0.689 6.621 18.355 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -1.329 5.621 19.295 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 3.751 -9.218 -10.775 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 4.091 -8.488 -11.305 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 2.901 -9.408 -11.175 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -1.528 -25.576 0.673 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -2.468 -25.606 0.483 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -1.318 -24.646 0.723 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -18.064 -10.155 12.815 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -18.644 -10.915 12.785 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -18.664 -9.405 12.875 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -7.585 12.859 23.724 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -8.295 12.229 23.814 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -6.815 12.419 24.064 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -7.748 9.517 11.738 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -8.028 10.357 12.078 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -8.148 9.447 10.878 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -15.976 -1.699 -4.698 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -15.366 -1.249 -4.108 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -15.516 -1.729 -5.528 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 2.119 -2.755 22.534 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 1.319 -3.225 22.294 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 2.699 -2.865 21.784 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 13.944 7.726 23.894 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 14.514 7.936 23.154 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 13.484 6.926 23.624 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 -10.383 -17.338 -16.457 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 -10.043 -16.448 -16.457 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 -10.793 -17.438 -17.317 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 18.880 21.894 -2.421 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 18.120 21.404 -2.731 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 19.580 21.644 -3.031 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 1.409 21.645 14.153 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 1.949 21.495 14.933 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 1.249 22.585 14.143 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 23.396 -14.037 -1.240 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 22.816 -13.487 -0.710 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 23.906 -13.427 -1.760 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -16.631 -24.941 -0.289 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -17.141 -25.721 -0.509 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -17.211 -24.421 0.261 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -7.260 0.835 2.009 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -6.690 0.235 2.479 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -6.670 1.475 1.609 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 22.231 -13.750 -7.595 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 23.151 -14.000 -7.585 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 21.751 -14.580 -7.645 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 23.365 16.103 19.685 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 22.895 15.303 19.415 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 23.905 15.823 20.415 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -20.836 -0.735 8.728 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -21.256 -0.095 8.148 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -20.396 -1.345 8.128 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 3.204 -13.408 -6.157 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 4.014 -13.318 -5.657 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 3.114 -14.348 -6.297 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -5.904 -11.076 20.318 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -6.624 -11.626 20.608 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -6.314 -10.406 19.768 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 -13.666 -18.025 4.104 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 -13.146 -18.385 3.394 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 -13.996 -18.795 4.584 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -8.741 18.343 18.865 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -8.991 18.953 19.555 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -9.011 17.483 19.195 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 12.297 1.571 11.925 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 11.457 1.231 12.235 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 12.747 0.801 11.565 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -16.814 -19.775 6.237 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -17.214 -20.235 6.977 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -17.274 -18.935 6.197 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 23.480 3.904 13.277 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 24.300 3.544 13.617 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 22.830 3.234 13.477 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -3.966 7.795 -12.127 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -3.426 8.545 -12.347 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -4.336 7.505 -12.957 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 19.575 -7.624 12.337 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 19.265 -8.264 12.977 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 19.225 -7.934 11.497 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 7.422 3.325 -1.339 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 7.712 3.225 -2.249 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 6.972 2.505 -1.149 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 8.994 18.342 18.481 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 8.874 19.022 19.151 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 8.744 17.532 18.921 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 -16.626 -14.415 3.787 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 -15.756 -14.295 3.407 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 -17.146 -13.675 3.467 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 -13.636 12.487 -2.405 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 -12.756 12.127 -2.395 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 -13.916 12.447 -1.485 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 8.125 -7.653 5.355 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 7.455 -7.173 5.835 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 7.925 -8.573 5.515 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 9.755 16.824 -10.151 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 10.445 16.174 -10.311 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 9.345 16.954 -11.011 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 17.580 -12.454 25.145 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 17.560 -13.404 25.045 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 17.210 -12.114 24.335 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 24.905 -4.947 1.949 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 24.995 -4.837 0.999 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 25.235 -4.127 2.319 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 19.560 -24.506 7.105 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 19.240 -25.236 6.575 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 20.310 -24.866 7.585 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 3.361 21.955 -12.779 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 2.461 21.925 -12.449 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 3.321 22.535 -13.539 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -4.406 -8.458 -15.497 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -4.206 -7.538 -15.307 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -3.676 -8.948 -15.107 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 5.315 -16.381 -16.387 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 4.435 -16.681 -16.597 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 5.235 -15.441 -16.267 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 -18.654 -19.936 13.148 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 -17.724 -19.976 13.378 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 -19.054 -19.406 13.838 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -8.728 25.171 7.991 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -8.038 24.871 8.581 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -8.648 24.591 7.231 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -8.935 15.587 21.434 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -9.405 15.497 20.604 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -8.785 14.687 21.724 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 -5.928 -23.276 23.221 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 -5.348 -23.206 22.461 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 -5.358 -23.606 23.921 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -18.413 -1.714 4.974 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -18.313 -2.164 4.134 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -17.663 -1.124 5.034 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 -6.585 -11.865 -7.165 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 -6.715 -12.385 -7.955 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 -6.045 -12.415 -6.605 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.066 18.511 -3.065 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 13.946 18.911 -2.195 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.696 17.811 -2.925 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -13.884 -10.788 -4.551 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -13.834 -11.408 -5.271 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -13.704 -9.938 -4.961 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 -21.863 -19.344 -3.161 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 -22.243 -18.644 -3.701 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 -22.343 -20.134 -3.431 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 17.332 22.874 2.679 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 17.802 22.624 3.479 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 17.382 22.084 2.129 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 9.593 -16.866 -19.919 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 9.793 -17.746 -19.599 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 10.363 -16.616 -20.429 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 -8.183 -0.589 -19.359 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 -7.533 -0.389 -20.029 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 -8.413 -1.499 -19.509 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -12.024 -13.545 18.891 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -11.204 -13.475 19.391 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -12.214 -14.475 18.871 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -15.018 11.856 -8.676 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -14.348 12.516 -8.886 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -14.578 11.016 -8.796 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -24.038 -9.397 10.911 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -23.588 -9.897 10.231 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -23.498 -8.617 11.031 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -17.885 4.432 8.635 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -16.965 4.152 8.635 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -17.885 5.242 9.135 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -8.736 10.057 20.964 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -7.976 9.487 21.014 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -9.096 10.047 21.844 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 12.893 -14.799 5.013 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 13.713 -15.209 4.733 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 13.073 -14.459 5.883 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -15.856 17.395 -1.462 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -15.226 17.205 -0.772 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -16.606 16.835 -1.262 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 -19.184 -7.348 12.901 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 -18.844 -6.458 12.931 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 -19.524 -7.448 12.021 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 4.357 -18.488 -5.533 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 5.287 -18.718 -5.553 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 3.907 -19.338 -5.553 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 6.773 16.814 9.873 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 5.863 16.514 9.863 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 7.283 16.004 9.833 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 -22.923 -8.977 -5.841 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 -22.243 -9.647 -5.821 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 -23.743 -9.467 -5.831 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -15.273 -21.139 -10.897 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -15.053 -21.459 -11.777 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -16.073 -21.609 -10.657 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 -23.583 -25.090 24.049 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 -24.483 -25.350 24.229 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 -23.583 -24.140 24.149 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -19.844 -3.606 -22.033 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -19.374 -3.136 -22.733 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -19.174 -4.176 -21.643 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 13.007 0.103 -8.775 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 12.177 0.343 -8.375 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 13.437 -0.447 -8.115 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 23.505 -5.473 -19.171 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 23.815 -5.993 -18.431 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 24.225 -5.503 -19.801 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 13.283 13.630 -24.733 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 13.433 14.030 -23.873 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 14.133 13.280 -24.983 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 11.073 10.227 -9.413 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 10.613 11.067 -9.323 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 11.993 10.477 -9.543 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 15.670 -2.428 -8.255 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 15.210 -1.918 -7.595 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 15.430 -3.338 -8.065 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 -5.435 -12.537 -14.237 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -5.805 -12.377 -13.367 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -5.555 -11.707 -14.697 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 -3.779 19.564 -10.996 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 -4.669 19.924 -11.086 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 -3.909 18.674 -10.676 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 -22.704 -8.207 -0.521 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 -23.564 -7.787 -0.601 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 -22.734 -8.927 -1.151 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 -1.945 1.106 7.239 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 -2.005 1.936 6.769 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 -2.345 1.286 8.089 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 -25.173 -1.507 24.723 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 -24.933 -1.157 23.863 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 -25.023 -0.777 25.333 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 8.844 -0.535 15.487 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 9.604 0.025 15.307 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 8.194 0.065 15.847 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -9.145 -3.734 4.459 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -9.085 -4.354 5.189 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -8.435 -3.984 3.869 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 -23.069 -24.334 -2.703 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 -23.519 -23.994 -1.923 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 -23.299 -25.264 -2.723 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 18.304 -6.844 24.215 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 17.664 -7.144 23.565 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 18.154 -7.414 24.975 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -5.984 2.933 5.628 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -5.194 2.393 5.678 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -5.674 3.823 5.828 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 -13.516 24.371 -23.202 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 -13.826 23.651 -22.662 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 -13.836 25.161 -22.762 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 18.361 9.273 -16.491 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 18.491 9.203 -15.551 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 18.051 10.163 -16.631 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 3.783 10.434 1.279 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 2.993 10.864 1.599 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 3.883 9.664 1.839 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 -5.718 -17.649 -13.773 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 -5.298 -16.889 -14.173 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 -6.388 -17.919 -14.413 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -2.017 0.943 15.605 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -2.207 1.243 16.495 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -2.097 1.733 15.065 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 22.912 -2.579 15.994 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 22.642 -3.139 15.274 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 22.962 -1.699 15.614 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 5.766 20.924 8.804 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 4.916 20.924 9.254 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 6.396 20.684 9.474 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 14.371 -15.973 -22.961 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 13.481 -15.723 -22.721 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 14.911 -15.673 -22.231 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 14.902 11.727 -11.263 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 15.442 11.117 -11.773 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 15.442 11.947 -10.503 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -4.248 21.424 15.313 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -4.678 21.044 14.543 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -3.548 21.964 14.953 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -21.924 10.112 -15.929 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -21.044 9.752 -15.829 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -22.424 9.412 -16.359 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 10.615 -3.202 -2.369 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 11.035 -2.562 -1.789 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 11.325 -3.532 -2.919 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 23.612 12.153 -13.587 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 23.012 11.583 -14.067 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 24.382 12.223 -14.147 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 -25.385 -16.795 15.769 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 -24.915 -17.615 15.929 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 -24.725 -16.115 15.889 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 23.454 -18.845 21.667 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 23.304 -18.815 20.717 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 24.394 -19.045 21.747 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 15.040 -15.820 0.575 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 15.640 -16.490 0.255 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 14.770 -15.350 -0.215 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 -11.365 -6.687 -3.979 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 -12.185 -6.227 -4.159 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 -11.485 -7.557 -4.379 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 4.886 -8.171 24.585 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 5.646 -7.691 24.905 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 4.996 -8.211 23.635 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 -17.360 23.864 23.455 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 -17.650 24.584 22.895 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 -17.280 24.254 24.325 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 0.453 -13.099 -5.605 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 1.413 -13.189 -5.645 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 0.213 -12.749 -6.465 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 9.335 4.917 22.994 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 8.465 5.247 23.194 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 9.185 4.097 22.524 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 0.822 10.416 6.577 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 1.292 10.126 5.787 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 1.242 11.246 6.797 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -16.524 -9.425 10.355 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -16.784 -9.475 11.275 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.734 -9.975 10.295 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 -1.277 16.997 19.395 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 -2.217 16.827 19.475 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 -1.077 17.597 20.115 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 -16.807 -21.156 -5.519 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 -16.447 -20.376 -5.939 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 -17.417 -21.506 -6.159 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -12.326 10.123 4.349 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -12.306 11.063 4.509 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -11.456 9.913 4.019 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 -18.758 2.493 -14.501 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 -18.268 2.033 -13.821 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 -19.678 2.423 -14.221 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 20.987 -10.014 -21.017 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 21.227 -9.284 -20.447 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 20.037 -9.944 -21.117 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -2.437 22.382 -1.231 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.917 22.252 -0.431 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.217 23.272 -1.511 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 -0.243 4.887 5.091 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 -0.283 5.487 4.341 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 0.687 4.707 5.201 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 -3.626 -9.005 8.861 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 -3.636 -9.875 8.461 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 -3.416 -8.405 8.141 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 25.355 21.126 -22.425 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 25.625 20.396 -22.985 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 24.525 20.836 -22.045 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 0.746 16.794 -3.866 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 1.556 17.074 -3.436 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 0.706 15.854 -3.706 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 10.225 -17.019 7.141 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 11.165 -17.159 7.001 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 10.195 -16.249 7.711 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 -10.623 6.286 -19.689 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 -10.903 5.496 -19.229 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 -11.443 6.746 -19.879 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 20.352 -21.117 6.527 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 20.362 -20.267 6.087 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 21.022 -21.627 6.067 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 21.132 -19.309 -11.239 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 20.292 -18.849 -11.279 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.932 -20.129 -10.789 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 16.685 -10.267 4.741 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 16.555 -9.867 5.601 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 17.215 -9.627 4.261 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 3.274 13.411 -3.895 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 3.294 12.541 -3.495 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 4.134 13.511 -4.295 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 8.993 18.111 -12.499 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 8.383 17.421 -12.749 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 8.473 18.921 -12.569 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 5.025 15.084 -15.617 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 5.015 15.714 -14.887 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 5.935 14.794 -15.667 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 0.993 -20.347 3.476 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 1.343 -21.237 3.416 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 0.713 -20.137 2.586 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -10.048 -2.619 -2.775 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -10.838 -2.299 -2.335 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -9.438 -1.879 -2.725 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 -8.157 -10.176 15.061 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 -7.687 -10.246 15.891 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 -7.617 -9.606 14.521 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -9.585 7.773 -5.005 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -9.815 6.893 -5.285 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -9.795 7.793 -4.065 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 12.514 5.211 23.949 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 12.374 4.491 24.559 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 11.634 5.551 23.759 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 7.847 -3.563 -3.045 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 8.687 -3.283 -2.695 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 7.887 -4.523 -3.025 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -25.374 -25.446 -15.663 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -24.424 -25.436 -15.573 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -25.554 -24.726 -16.283 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 2.674 16.155 7.751 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 2.304 15.575 8.411 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 2.834 16.975 8.211 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 5.435 8.206 2.754 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 5.025 7.346 2.724 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 6.345 8.036 2.974 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 9.304 22.493 6.939 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 9.234 23.213 7.559 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 10.174 22.123 7.089 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -8.784 6.187 -12.249 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -8.114 6.857 -12.379 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -8.724 5.637 -13.029 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 6.314 -20.284 20.089 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 6.904 -20.594 19.399 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 5.914 -19.494 19.729 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 1.062 2.304 -1.781 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 0.752 2.274 -2.691 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 1.942 2.694 -1.841 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -12.437 -16.706 7.107 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -13.027 -16.166 6.587 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -12.997 -17.406 7.457 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 -24.387 -19.735 18.017 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 -23.667 -20.365 17.957 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 -25.107 -20.225 18.417 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -13.553 -3.263 -17.179 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -14.463 -2.983 -17.059 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -13.443 -3.993 -16.579 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 11.475 17.743 -20.969 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 11.415 18.693 -21.059 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 11.935 17.463 -21.759 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -18.405 -16.546 -24.529 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -18.935 -16.696 -25.319 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -17.505 -16.516 -24.849 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 17.945 -5.314 -22.221 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 18.655 -5.544 -21.631 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 17.315 -6.034 -22.131 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 -13.036 22.255 -21.627 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 -13.186 21.365 -21.937 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 -12.276 22.175 -21.047 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -21.005 11.453 6.985 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -21.015 12.363 6.685 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -21.485 11.463 7.805 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 15.675 -3.620 -0.161 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 15.145 -3.940 0.569 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 16.375 -4.270 -0.251 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 12.393 -21.747 22.128 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 12.243 -21.697 23.068 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 11.813 -22.447 21.828 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 -22.876 -25.416 -6.913 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 -23.626 -25.406 -7.503 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 -22.446 -24.576 -7.063 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 3.014 12.180 -24.709 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.844 12.540 -25.039 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 3.144 12.080 -23.769 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 23.891 -7.637 -17.299 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 23.941 -8.197 -16.529 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 24.311 -8.137 -17.989 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 19.854 -0.107 -17.745 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 19.404 -0.577 -18.445 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 20.324 -0.787 -17.265 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 -23.426 4.202 1.034 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 -23.916 4.972 0.754 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 -22.586 4.272 0.594 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 -20.657 -2.885 -17.773 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 -21.517 -2.565 -17.493 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 -20.397 -2.285 -18.473 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 24.675 16.576 13.045 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 25.025 17.336 13.525 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 25.375 16.346 12.435 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -0.787 -6.586 -0.517 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -0.007 -6.066 -0.337 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -1.307 -6.046 -1.117 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 19.382 -14.630 -10.783 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 18.662 -15.120 -11.193 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 20.062 -15.280 -10.623 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 -10.754 1.612 15.191 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 -10.734 2.502 14.851 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 -10.084 1.142 14.691 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 12.393 -2.596 -0.051 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 11.913 -2.706 0.779 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 13.183 -3.126 0.049 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 -13.573 2.711 5.224 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 -13.103 2.101 4.654 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 -12.923 3.021 5.845 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 -19.674 -12.347 -20.905 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 -20.464 -12.287 -21.435 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 -19.814 -11.707 -20.205 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 7.475 -6.737 24.755 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 7.365 -6.137 24.015 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 7.935 -6.227 25.415 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 20.974 20.947 -19.622 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 20.254 20.797 -19.002 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 20.544 21.137 -20.452 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 18.944 -19.469 -4.797 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 19.804 -19.099 -4.987 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 18.354 -18.719 -4.817 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 24.534 12.965 15.071 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 24.734 12.275 14.441 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 25.394 13.245 15.391 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 -4.294 -5.044 -6.237 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 -4.044 -5.114 -7.167 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 -3.464 -5.004 -5.767 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 12.765 -20.227 -21.179 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 12.515 -19.647 -21.889 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 12.045 -20.187 -20.559 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 -13.897 21.624 -0.279 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 -13.407 22.404 0.001 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 -14.717 21.674 0.201 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -21.284 6.514 -4.165 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -21.034 6.424 -5.085 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -20.784 7.274 -3.855 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 -4.798 -10.106 -13.106 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 -4.318 -9.556 -12.496 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 -5.248 -9.486 -13.686 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 10.637 10.249 -25.017 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 10.727 10.929 -24.347 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 9.737 10.339 -25.327 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 -16.835 18.789 11.035 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 -16.455 18.799 10.155 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 -17.475 18.089 11.015 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 5.125 13.819 9.584 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 5.105 14.569 10.184 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 5.525 14.159 8.784 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 -8.246 -10.289 5.828 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 -7.436 -10.709 5.538 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 -8.706 -10.069 5.018 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -10.116 12.273 6.667 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -9.556 11.503 6.707 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -9.876 12.703 5.847 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 -21.907 12.282 -14.059 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 -21.727 12.742 -14.879 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 -21.717 11.362 -14.259 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -20.145 -0.568 -11.289 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -20.935 -0.858 -11.729 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -19.485 -0.518 -11.979 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 -22.094 15.694 -21.629 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 -21.874 16.494 -22.099 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 -21.404 15.074 -21.849 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -12.947 3.192 -8.176 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -13.017 4.142 -8.296 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.327 3.032 -7.316 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 14.103 -16.714 -19.529 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 14.083 -16.194 -18.719 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 14.133 -17.624 -19.229 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 -17.168 15.332 -13.669 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 -17.778 16.062 -13.659 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 -16.338 15.712 -13.949 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 8.654 -24.263 -8.263 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 8.194 -24.583 -7.483 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 8.114 -24.543 -8.993 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 4.603 -19.306 -17.512 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 4.813 -19.206 -16.582 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 3.723 -18.946 -17.602 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -1.629 23.305 -5.776 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -2.439 23.355 -5.266 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -1.889 23.575 -6.656 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 -18.315 -20.095 19.293 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 -18.925 -19.545 19.793 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 -18.755 -20.945 19.233 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 24.781 16.642 -15.285 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 25.151 16.022 -15.905 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 23.931 16.282 -15.055 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -11.706 -5.845 -8.759 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -11.896 -4.975 -8.429 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -12.216 -6.435 -8.199 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 4.304 23.402 -5.312 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 4.164 24.332 -5.492 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 3.424 23.062 -5.152 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 2.404 -15.094 18.661 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 2.034 -15.714 18.031 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 1.914 -15.244 19.461 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 1.575 -1.093 -21.669 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 1.205 -0.403 -21.119 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 2.115 -1.613 -21.079 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 -16.860 -8.654 -11.161 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 -16.990 -9.594 -11.191 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 -16.180 -8.484 -11.811 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -15.143 17.804 -24.695 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -14.593 18.434 -25.165 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -14.933 17.954 -23.765 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 10.092 -21.699 -14.551 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 9.202 -21.569 -14.221 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 10.032 -21.559 -15.491 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 7.592 8.322 -6.483 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 7.372 8.682 -5.623 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 8.422 8.732 -6.713 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 0.753 -8.705 -2.462 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 0.293 -8.345 -1.702 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 1.673 -8.745 -2.182 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 7.973 -12.621 -19.805 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 7.203 -12.911 -20.295 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 8.583 -13.351 -19.875 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 6.463 23.012 -14.493 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 6.563 23.832 -14.003 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 5.663 23.142 -15.003 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -9.948 -2.016 -11.421 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -9.218 -2.456 -11.001 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -10.178 -1.296 -10.831 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 -20.734 -15.349 -10.449 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 -20.274 -15.949 -11.049 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 -21.604 -15.249 -10.839 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 -9.553 3.783 -0.383 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 -10.393 4.243 -0.343 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 -9.663 3.133 -1.083 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 5.673 -12.966 -0.145 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 5.013 -12.306 -0.355 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 5.173 -13.686 0.255 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 4.535 23.986 2.525 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 5.145 23.786 3.235 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 3.825 24.476 2.945 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 5.994 16.762 4.081 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 6.044 16.202 3.311 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 5.364 16.332 4.661 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -1.267 -19.160 -20.579 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -1.017 -18.860 -19.709 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -2.217 -19.040 -20.599 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -4.167 17.714 -5.387 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -3.677 17.584 -4.577 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -5.077 17.564 -5.137 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 -3.678 20.218 5.181 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 -3.958 19.418 5.631 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 -3.078 20.638 5.801 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 7.103 -0.573 0.803 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 6.773 -0.083 1.553 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 7.653 -1.263 1.173 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 19.813 21.397 10.161 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 20.383 20.897 10.751 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 20.133 21.187 9.291 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 -7.726 -23.309 -11.609 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 -7.506 -23.339 -10.679 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 -6.996 -23.759 -12.039 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 7.359 8.977 11.403 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 6.469 8.737 11.143 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 7.909 8.737 10.653 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 24.322 5.242 -9.883 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 23.962 5.792 -9.183 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 24.652 4.462 -9.433 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 -6.887 -1.025 -0.667 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 -7.127 -0.455 0.073 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 -7.517 -0.805 -1.347 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 12.224 -20.509 10.335 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 13.024 -20.509 10.865 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 12.524 -20.549 9.435 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 -17.935 -24.384 2.405 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 -18.175 -25.244 2.755 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 -17.045 -24.234 2.735 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 -0.427 3.155 -17.421 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -1.267 2.845 -17.071 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 -0.677 3.795 -18.091 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 24.965 21.893 24.765 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 25.135 21.843 25.705 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 24.215 21.303 24.625 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 20.401 22.833 -10.785 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 19.731 22.743 -11.455 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 21.071 23.383 -11.205 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -22.897 -22.968 -23.793 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -22.117 -22.568 -23.423 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -23.617 -22.428 -23.473 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 -16.235 21.035 7.108 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 -16.115 20.095 7.228 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 -16.755 21.305 7.868 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.928 2.377 18.199 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -10.488 2.367 17.419 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -10.248 3.117 18.709 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 18.677 0.503 2.385 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 18.207 -0.267 2.075 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 18.557 0.483 3.335 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 16.585 -22.910 22.201 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 17.055 -23.720 22.381 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 17.095 -22.220 22.631 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 -10.106 -14.666 22.644 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 -9.656 -15.186 21.974 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 -9.576 -13.866 22.714 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -25.271 -4.549 7.643 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -25.681 -3.939 7.033 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -24.361 -4.259 7.703 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 3.625 16.123 -11.709 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 4.035 15.383 -11.259 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 2.845 15.743 -12.119 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 -20.267 -3.188 -5.401 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 -19.627 -3.038 -4.701 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 -21.057 -3.468 -4.951 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -0.458 14.384 -13.402 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -0.198 14.394 -14.322 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -0.648 13.454 -13.212 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 -7.790 -25.197 4.808 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 -7.620 -24.317 5.148 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 -6.930 -25.587 4.688 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -16.377 -10.427 23.629 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -16.597 -10.517 24.559 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -16.057 -9.527 23.549 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 1.494 -18.297 -11.459 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 1.404 -18.507 -10.529 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 2.204 -17.657 -11.489 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 -5.883 14.377 -19.907 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 -5.533 15.127 -19.427 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 -5.973 13.697 -19.247 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -23.588 -9.074 17.321 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -23.068 -9.834 17.591 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -23.078 -8.664 16.631 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 2.596 -9.468 11.971 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 2.616 -9.838 11.091 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 1.846 -8.888 11.981 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 8.655 7.686 -11.879 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 9.605 7.756 -11.859 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 8.415 7.896 -12.779 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 18.252 8.721 -10.233 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 18.912 8.811 -10.923 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 18.622 8.101 -9.613 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 -9.704 -24.845 -17.283 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 -9.904 -23.945 -17.043 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 -9.174 -25.185 -16.563 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 2.091 -10.832 -13.159 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 1.171 -10.562 -13.219 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 2.531 -10.352 -13.859 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 -23.777 5.434 -24.187 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 -22.907 5.334 -24.577 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 -23.747 6.294 -23.767 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 20.267 0.754 -23.008 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 20.927 1.354 -23.358 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 19.917 0.304 -23.768 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 -15.014 24.446 -7.377 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 -14.464 23.696 -7.187 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 -15.714 24.106 -7.927 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 -3.045 18.721 13.229 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 -2.145 18.751 13.579 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 -3.565 18.371 13.949 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 -7.895 -20.807 4.553 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 -7.635 -20.747 3.633 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 -7.095 -21.047 5.013 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 7.246 -20.219 -18.067 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 6.416 -20.059 -18.507 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 7.906 -19.859 -18.657 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -3.004 -5.599 -2.407 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -3.174 -4.859 -2.997 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -3.504 -5.399 -1.617 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -11.365 11.755 -15.061 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -11.245 12.655 -14.771 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -11.085 11.755 -15.981 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 13.153 -4.876 -23.317 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 13.533 -4.876 -24.197 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 13.443 -5.706 -22.937 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -11.355 20.973 -15.891 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -12.105 21.243 -15.371 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -10.845 21.773 -16.021 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 16.445 13.296 -12.972 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 16.175 14.206 -13.132 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 15.715 12.906 -12.492 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -6.797 -12.175 -19.027 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -6.117 -12.225 -19.697 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -7.617 -12.155 -19.517 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 14.326 -3.096 -21.673 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 15.266 -3.256 -21.643 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 13.956 -3.876 -22.083 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -1.604 19.111 21.674 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -1.544 18.631 22.504 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -2.274 19.771 21.824 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 11.453 23.462 13.277 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 10.793 23.832 12.697 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 11.773 24.202 13.797 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.416 18.426 -1.631 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.636 17.736 -1.011 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -19.416 17.986 -2.481 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 2.042 -3.905 5.394 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 1.132 -4.185 5.234 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 2.222 -3.265 4.704 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -20.754 -20.637 5.367 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -19.884 -20.597 4.957 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -21.364 -20.557 4.637 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 19.924 -0.518 15.913 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 20.734 -0.768 16.363 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 19.964 0.432 15.863 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -15.663 1.873 1.385 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -15.253 2.483 0.775 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -15.423 1.003 1.035 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -1.853 3.423 12.563 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -2.073 3.263 13.483 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -1.833 4.383 12.483 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 2.572 0.470 -10.622 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 3.292 1.030 -10.322 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 1.782 0.980 -10.432 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 -1.685 -6.376 -19.649 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 -1.835 -6.466 -20.589 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 -2.455 -6.776 -19.239 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 -24.231 -23.286 -17.649 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -25.131 -23.406 -17.949 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 -24.291 -22.656 -16.939 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -10.308 17.253 2.080 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -9.808 17.323 2.890 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -10.848 18.043 2.050 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 -19.113 -4.878 -8.012 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 -19.743 -4.408 -7.462 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 -19.363 -4.658 -8.912 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 25.084 -1.563 -9.587 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 24.614 -0.993 -10.187 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 24.694 -2.423 -9.717 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.467 -17.955 -20.573 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -18.287 -17.465 -20.573 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.257 -18.055 -19.643 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -2.955 19.516 -23.929 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -2.605 18.626 -23.949 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -3.815 19.426 -23.519 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -16.440 -16.854 5.761 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -15.600 -17.114 5.381 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -16.250 -16.044 6.241 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 -20.833 -15.753 -23.591 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 -20.043 -16.023 -23.111 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 -20.593 -15.863 -24.511 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 18.855 -23.885 1.985 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 19.165 -23.355 2.715 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 19.375 -24.685 2.035 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 -2.776 -22.559 4.285 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 -1.936 -22.929 4.565 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 -3.416 -23.219 4.545 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 -0.808 4.173 -7.241 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 -1.018 3.413 -7.771 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 0.142 4.283 -7.331 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -22.475 -3.384 -3.071 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -23.245 -3.734 -2.631 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -21.755 -3.934 -2.751 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 -21.283 1.697 -17.683 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 -20.603 1.957 -18.303 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 -21.633 0.877 -18.033 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 -14.547 9.085 8.408 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 -15.177 9.455 7.778 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 -13.687 9.275 8.028 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 0.625 17.006 17.493 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 -0.025 17.296 18.133 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 0.385 16.106 17.293 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.343 -11.075 17.657 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 1.923 -10.345 17.427 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 0.583 -10.955 17.087 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -14.240 8.995 20.221 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -14.770 8.795 19.451 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -13.810 8.175 20.441 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -23.445 10.024 8.749 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -23.325 9.194 8.289 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -24.025 10.534 8.179 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 12.809 11.162 13.263 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 12.159 11.842 13.443 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 13.569 11.632 12.923 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 5.937 22.175 23.179 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 5.947 22.765 23.929 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 5.387 22.615 22.539 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 23.933 25.077 13.651 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 23.143 25.397 13.221 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 23.703 25.067 14.581 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 4.131 -22.155 -9.643 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 3.871 -21.855 -8.773 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 5.061 -21.945 -9.703 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 -20.543 12.461 20.941 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 -20.163 12.261 20.081 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 -20.473 11.631 21.431 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 19.904 -22.118 -0.557 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 19.414 -22.808 -0.117 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 19.824 -21.368 0.033 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -2.548 12.126 7.999 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -2.548 12.376 8.919 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -3.268 11.496 7.919 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 -5.924 -11.575 -24.567 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 -5.524 -11.285 -25.387 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 -5.214 -11.995 -24.087 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 -8.598 -4.816 -1.872 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 -9.128 -4.086 -2.202 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 -8.648 -5.476 -2.562 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 8.214 -14.286 23.463 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 8.964 -14.776 23.123 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 8.564 -13.826 24.223 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 11.922 14.102 1.093 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 12.202 14.952 1.403 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 11.992 13.522 1.853 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 20.173 -20.157 10.483 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 20.653 -20.587 11.183 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 20.243 -20.757 9.743 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 17.356 -8.304 -13.387 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 16.576 -7.944 -12.967 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 17.136 -9.224 -13.547 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 -18.375 5.645 -20.163 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 -18.955 5.575 -19.403 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 -18.945 5.965 -20.863 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.251 -14.954 6.845 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -22.771 -14.274 7.265 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -22.111 -15.604 7.525 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 -19.319 -22.621 -6.536 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 -19.549 -22.001 -5.836 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 -19.789 -23.421 -6.316 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 12.431 2.236 7.933 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 13.001 1.516 7.643 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 11.611 1.806 8.183 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -6.468 18.802 17.501 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -6.648 18.942 16.571 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -7.288 18.472 17.861 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 12.906 -18.967 18.463 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 13.336 -19.537 17.823 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 13.576 -18.797 19.123 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 4.353 -25.009 -7.373 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 4.223 -25.309 -8.273 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 4.943 -24.259 -7.453 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 6.480 -16.198 -23.675 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 7.150 -15.948 -24.315 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 6.270 -17.108 -23.895 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 -2.949 23.207 -11.259 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 -3.119 24.147 -11.219 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 -3.579 22.877 -11.909 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 -21.635 -21.063 13.335 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 -20.845 -20.543 13.475 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 -21.735 -21.563 14.145 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 19.234 -4.728 -10.619 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 18.794 -4.028 -10.149 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 19.854 -4.278 -11.199 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 5.515 -13.926 -4.696 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 6.445 -13.896 -4.896 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 5.435 -14.596 -4.016 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 20.399 11.513 2.531 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 20.769 12.393 2.601 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 21.049 10.943 2.931 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -18.214 -1.198 14.737 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -18.994 -1.698 14.517 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -17.504 -1.628 14.257 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -17.523 15.864 14.705 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -17.093 15.014 14.675 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -18.293 15.724 15.255 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 13.833 17.524 -6.709 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 14.123 18.314 -6.239 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 14.273 17.574 -7.559 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 12.022 -4.597 -13.279 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 11.812 -4.917 -12.399 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 11.912 -5.367 -13.839 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 16.642 -16.698 16.701 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.982 -17.588 16.841 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 17.362 -16.238 16.271 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 25.044 0.525 8.405 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 25.244 1.165 9.085 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 24.754 -0.255 8.875 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 -18.957 -21.527 -2.707 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 -18.187 -21.807 -3.207 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 -18.987 -20.577 -2.827 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 14.672 -16.087 3.449 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 15.302 -15.417 3.689 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 14.762 -16.177 2.499 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -22.485 7.604 -12.913 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -21.685 8.044 -12.643 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -22.795 7.164 -12.123 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 16.624 -16.824 -21.171 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 16.614 -17.054 -20.241 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 17.224 -17.444 -21.571 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 12.697 -13.216 -7.607 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 13.227 -13.306 -8.407 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 12.377 -14.106 -7.447 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 18.585 9.667 3.871 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 18.295 10.137 4.651 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 19.295 10.197 3.521 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 16.312 -7.819 -24.013 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 15.822 -7.669 -23.203 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 16.432 -8.759 -24.063 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -17.034 21.647 -17.975 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -16.244 21.627 -18.525 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -17.534 20.877 -18.255 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 7.441 -15.307 -19.539 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 7.361 -15.227 -18.589 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 8.151 -15.937 -19.669 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 -12.277 18.674 20.233 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 -12.087 19.524 20.643 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 -12.187 18.834 19.293 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 12.450 -0.677 -4.379 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 11.620 -0.407 -4.779 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 12.390 -0.367 -3.479 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 14.106 7.506 -1.781 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 13.456 8.046 -1.331 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 14.076 7.816 -2.681 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -16.548 4.622 22.978 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -16.878 4.712 22.078 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -16.488 3.682 23.118 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 -18.959 5.546 19.939 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 -18.059 5.346 19.649 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 -19.439 5.706 19.129 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -20.541 1.772 10.721 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -20.471 0.972 10.201 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -19.641 2.052 10.851 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 13.724 22.832 17.347 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 14.244 23.502 16.907 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 14.134 22.002 17.097 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 24.436 -8.120 6.368 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 24.456 -7.300 5.868 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 23.606 -8.100 6.838 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -7.002 10.007 -9.929 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -6.101 10.137 -9.649 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -7.531 10.247 -9.169 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 7.183 0.694 20.033 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 8.003 0.264 19.763 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 7.453 1.434 20.563 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 -10.926 -9.818 0.775 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 -11.596 -10.218 1.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 -10.426 -9.268 1.385 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -15.525 7.996 -15.122 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -15.115 8.766 -14.722 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -16.465 8.186 -15.092 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 21.026 5.312 -2.271 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 20.166 5.152 -1.891 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 21.536 5.692 -1.551 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 21.647 6.956 2.611 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 20.757 6.596 2.591 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 21.697 7.396 3.461 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -20.995 23.711 2.325 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -21.685 23.541 1.685 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -20.185 23.651 1.825 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 -15.789 -15.917 24.554 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 -14.919 -15.937 24.154 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 -16.119 -15.037 24.364 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 10.965 -20.037 -10.071 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 10.705 -20.867 -9.671 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 10.275 -19.427 -9.811 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 24.954 0.174 -22.751 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 24.214 0.404 -22.191 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 25.724 0.424 -22.241 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 -18.010 -10.887 -14.763 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 -18.650 -11.537 -14.483 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 -18.520 -10.117 -14.993 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 -10.961 8.882 -17.891 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 -10.371 9.612 -17.671 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 -10.861 8.262 -17.161 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 6.789 21.965 -5.051 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 6.039 22.525 -4.831 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.549 22.425 -4.701 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 -14.626 16.432 -14.155 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 -14.396 15.782 -14.825 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 -13.826 16.522 -13.635 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 -13.321 6.623 11.169 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 -13.141 7.543 11.019 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 -12.791 6.403 11.939 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 7.734 8.305 8.553 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 8.404 7.755 8.153 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 7.944 9.195 8.263 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 2.459 4.553 1.887 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 2.889 4.993 1.157 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 3.119 3.943 2.227 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 13.433 12.280 3.435 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 14.073 11.850 4.005 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 13.663 13.210 3.475 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 -11.588 23.107 -1.677 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 -12.218 22.467 -1.337 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 -11.898 23.947 -1.347 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -18.515 -9.827 17.793 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -19.265 -10.277 18.193 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -18.415 -9.027 18.313 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.465 20.147 10.783 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 14.295 20.947 11.273 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 15.415 20.037 10.843 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 24.413 -9.966 14.693 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 25.223 -9.576 15.013 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 24.313 -9.626 13.803 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 15.667 -12.715 -14.635 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 15.977 -11.925 -14.205 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 15.557 -12.455 -15.555 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 22.887 -20.928 -15.253 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 22.827 -19.978 -15.383 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 22.597 -21.308 -16.083 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -16.617 -23.566 -3.925 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -16.697 -23.056 -4.725 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -15.667 -23.716 -3.825 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 -9.494 -15.374 9.601 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 -9.544 -16.324 9.491 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 -8.944 -15.084 8.871 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 19.514 -6.214 2.107 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 18.894 -5.504 2.247 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 19.794 -6.114 1.197 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 1.516 -24.537 11.671 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 0.846 -24.827 11.051 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 2.336 -24.877 11.321 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 -19.927 9.459 20.383 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 -20.117 10.029 19.643 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 -19.927 8.569 20.013 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 -16.639 7.706 -3.193 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 -16.489 8.496 -2.673 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 -17.269 7.196 -2.683 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -20.636 14.717 -8.211 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -21.006 15.577 -8.011 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -20.316 14.397 -7.371 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -5.557 23.625 4.571 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -4.917 24.295 4.331 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -5.077 22.805 4.491 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 21.615 -19.653 18.134 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 20.825 -20.193 18.004 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 21.935 -19.493 17.244 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 -8.728 -19.866 6.953 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 -9.028 -19.256 6.283 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 -8.778 -20.726 6.523 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 15.641 1.371 13.819 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 16.301 1.031 13.219 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 14.831 0.931 13.549 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 11.061 7.704 18.629 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 11.801 8.134 18.199 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 10.651 8.394 19.149 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 13.945 8.215 -9.242 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 14.755 8.675 -9.042 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 13.375 8.385 -8.492 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -5.894 7.240 4.014 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -5.924 8.120 3.634 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -5.344 6.740 3.404 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 22.452 4.402 -7.401 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 22.062 4.822 -6.641 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 22.752 3.552 -7.081 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 11.469 20.446 -15.387 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 11.609 21.156 -14.757 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 11.309 19.676 -14.837 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 18.142 -8.311 -4.927 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 18.492 -7.471 -5.217 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 17.912 -8.771 -5.737 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 -10.986 0.764 -1.219 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 -11.756 1.194 -1.599 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 -10.946 1.094 -0.319 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 14.842 13.916 -17.176 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 14.912 13.666 -18.096 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 14.292 14.706 -17.196 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -22.023 -19.620 19.639 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -22.443 -20.420 19.329 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -22.293 -18.950 18.999 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 -7.398 2.537 -8.262 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 -7.818 1.957 -7.622 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 -7.778 3.407 -8.082 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 21.525 18.155 1.983 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 21.195 18.915 1.513 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 20.925 18.055 2.723 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -13.687 13.340 9.759 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -14.527 12.980 10.019 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -13.687 13.310 8.809 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 7.912 19.937 -6.381 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 7.402 20.007 -7.191 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 7.802 20.797 -5.961 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 -20.537 15.033 15.451 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 -20.947 15.793 15.031 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 -20.467 14.383 14.751 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -18.509 15.444 -20.181 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -19.199 15.334 -20.831 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -18.969 15.494 -19.341 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -5.356 -11.725 -3.931 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -4.806 -10.955 -3.851 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -5.356 -11.935 -4.871 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 -17.557 24.505 -21.503 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 -18.287 25.125 -21.433 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 -17.667 23.925 -20.753 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 14.783 -20.846 0.645 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 14.113 -20.186 0.845 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 14.293 -21.586 0.295 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -8.221 -6.199 18.398 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -9.101 -5.949 18.138 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -8.121 -5.859 19.278 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 4.945 19.776 25.111 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 5.335 20.246 25.851 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 5.385 20.116 24.341 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 6.662 4.423 18.843 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 7.342 5.093 18.813 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 6.512 4.193 17.923 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 -19.721 13.491 -0.657 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 -19.511 13.211 -1.557 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 -20.001 12.681 -0.227 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 6.452 7.240 -10.033 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 7.062 7.240 -10.773 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 6.872 6.700 -9.373 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 20.832 -9.886 13.716 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 21.672 -10.276 13.956 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 20.572 -10.346 12.926 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -20.616 -0.818 -19.613 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -20.276 0.082 -19.643 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -20.136 -1.278 -20.303 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 5.801 -1.300 -2.495 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 6.631 -1.120 -2.056 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 5.971 -2.090 -3.006 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 1.524 0.753 1.965 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 0.824 0.793 2.615 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 1.214 1.293 1.245 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 7.461 -15.956 21.274 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 6.551 -15.796 21.024 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 7.661 -15.266 21.904 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 -10.037 0.654 10.165 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 -9.277 0.774 9.605 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 -10.787 0.774 9.575 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 21.386 19.177 -14.559 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 21.566 18.287 -14.269 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 22.246 19.537 -14.759 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -8.507 -3.704 -22.895 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -7.887 -3.324 -23.525 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -8.597 -4.614 -23.165 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 3.022 13.645 14.411 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 3.512 13.715 15.231 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 2.242 14.175 14.551 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 19.796 -23.597 -19.561 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 20.146 -23.937 -20.391 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 18.846 -23.587 -19.691 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 -17.930 13.491 1.711 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 -17.900 12.551 1.871 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 -18.520 13.601 0.961 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -12.014 -0.141 -22.479 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -11.994 -1.061 -22.199 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -11.854 0.359 -21.679 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -4.623 1.981 -6.199 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -3.813 2.481 -6.339 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -5.193 2.251 -6.919 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 24.093 1.414 -6.505 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 24.213 1.634 -7.435 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 23.163 1.194 -6.435 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 15.552 11.077 5.369 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 15.102 10.267 5.179 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 16.212 10.837 6.019 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -24.053 -13.376 3.591 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -23.993 -12.486 3.941 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -24.993 -13.516 3.471 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -14.351 13.253 -19.841 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -14.611 13.883 -19.171 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -14.081 12.473 -19.351 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 9.945 15.092 -6.597 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 9.075 15.012 -6.197 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 10.515 14.562 -6.027 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 13.670 1.995 -11.329 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 13.820 1.595 -12.179 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 13.690 1.265 -10.709 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 23.014 -5.953 -22.349 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 23.494 -5.213 -21.979 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 23.214 -5.923 -23.289 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 15.272 2.533 9.181 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 15.292 3.153 8.461 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 16.162 2.173 9.211 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 -19.233 -14.645 7.884 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 -18.533 -15.115 7.434 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 -20.033 -15.035 7.544 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 14.385 -11.088 -7.809 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 13.585 -11.618 -7.789 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 14.875 -11.428 -8.549 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -10.755 8.833 -15.059 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -11.235 9.673 -15.059 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -11.385 8.203 -14.719 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 5.993 -3.876 17.661 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 5.713 -3.316 16.931 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 6.583 -4.516 17.251 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 2.755 2.524 17.075 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 1.825 2.334 17.195 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 2.915 3.294 17.615 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -1.337 13.405 10.595 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -1.767 12.725 11.125 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -0.477 13.035 10.405 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -12.146 -18.985 13.788 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -11.196 -19.005 13.808 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -12.366 -18.405 13.048 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -24.445 4.471 -7.767 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -24.035 5.341 -7.797 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -24.255 4.151 -6.887 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 16.235 -4.325 -2.721 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 15.605 -4.015 -3.371 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 16.105 -3.755 -1.971 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 -10.094 22.233 -9.961 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 -10.954 22.103 -10.361 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 -10.094 23.163 -9.711 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 -23.376 -21.655 -3.381 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 -24.316 -21.815 -3.471 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 -22.986 -22.535 -3.381 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -14.125 -21.010 5.165 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -13.655 -21.840 5.095 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -14.335 -20.930 6.095 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -22.534 -7.188 -12.729 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -23.434 -7.398 -12.959 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -22.274 -7.868 -12.109 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 10.681 22.183 19.471 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 11.051 22.293 18.591 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 11.001 22.953 19.961 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 1.934 21.276 -9.971 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 2.864 21.356 -10.181 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 1.614 22.176 -9.941 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 2.204 -9.048 -22.107 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 3.164 -9.018 -22.167 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 2.014 -8.768 -21.217 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 23.752 18.888 18.891 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 23.962 17.948 18.891 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 22.832 18.918 19.141 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 19.874 8.606 13.655 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 19.484 8.256 14.455 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 20.464 7.916 13.355 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 -17.785 -14.358 10.178 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 -18.445 -14.178 10.848 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 -18.295 -14.468 9.368 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 5.805 19.336 11.433 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 6.655 19.536 11.043 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 5.975 18.586 12.003 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 -11.799 -15.364 24.385 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 -11.279 -14.874 23.755 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 -11.729 -14.864 25.195 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -20.958 -23.809 12.515 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -20.458 -23.449 11.785 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -21.218 -23.049 13.035 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 -6.179 18.996 -7.673 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 -5.889 19.866 -7.403 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 -6.869 19.176 -8.323 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 -10.187 4.439 13.801 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 -9.887 5.029 14.501 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 -10.757 4.979 13.261 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 21.965 -3.727 -12.129 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 22.865 -4.017 -12.009 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 21.995 -2.777 -12.009 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 15.474 14.864 -9.123 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 15.844 14.074 -8.753 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 15.764 15.564 -8.543 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 14.525 3.641 16.548 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 13.615 3.521 16.278 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 14.475 4.021 17.418 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 20.093 -19.307 -8.639 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 20.943 -19.617 -8.329 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 19.633 -19.037 -7.839 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 8.074 20.717 10.255 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 8.824 20.527 9.695 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 8.164 21.657 10.455 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -1.076 -22.757 -0.403 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -1.566 -22.407 -1.153 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -0.956 -22.007 0.177 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 19.264 3.683 17.988 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 18.534 3.063 18.008 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 19.174 4.143 17.158 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -24.799 -24.985 -22.662 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -24.239 -25.255 -21.942 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -24.209 -24.915 -23.412 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 -7.887 17.185 -7.149 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 -7.157 17.785 -7.009 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 -7.657 16.405 -6.649 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -11.526 -7.535 22.037 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -10.796 -7.885 22.547 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -12.296 -7.715 22.577 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 -12.268 -2.928 7.039 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 -12.368 -3.338 7.899 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 -12.118 -1.998 7.239 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -17.839 15.604 -5.149 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -17.739 16.374 -5.719 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -18.349 15.924 -4.409 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 4.360 -14.008 8.697 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 4.680 -13.168 9.027 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 4.950 -14.658 9.087 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 4.363 10.454 -23.053 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 4.793 10.674 -23.883 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 4.593 9.534 -22.913 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -9.877 -19.699 -12.931 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -8.947 -19.919 -12.921 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -10.307 -20.529 -13.131 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -6.583 -11.887 4.318 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -5.823 -12.347 3.958 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -7.253 -12.567 4.398 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -16.796 13.055 11.595 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -17.716 13.025 11.365 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 -16.776 12.975 12.555 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 22.725 14.894 14.821 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 23.405 15.384 14.361 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 23.075 14.004 14.891 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 -13.507 13.365 12.559 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 -13.067 14.215 12.499 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 -13.657 13.115 11.649 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 -18.845 1.301 -19.186 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 -18.065 0.741 -19.136 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 -18.595 2.101 -18.736 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 6.005 -5.745 6.273 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 5.415 -5.245 6.833 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 6.885 -5.535 6.603 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 -25.060 9.687 -12.495 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 -25.000 9.397 -13.405 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 -24.670 8.977 -11.995 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 2.966 5.562 -18.036 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 2.296 5.882 -18.636 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.786 5.662 -18.516 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -3.584 -0.554 -8.445 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -4.124 -0.034 -9.035 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -2.694 -0.474 -8.785 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 -13.155 24.734 -16.007 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 -12.705 24.854 -16.837 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 -12.995 23.814 -15.787 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 10.306 18.703 -5.803 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 10.516 17.993 -6.413 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 9.656 19.223 -6.263 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 10.484 24.688 16.907 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 10.954 24.918 16.107 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 11.174 24.498 17.547 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 -7.045 -24.657 20.607 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 -7.455 -25.497 20.807 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 -6.175 -24.717 20.997 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 18.070 -1.304 22.231 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 18.520 -1.914 21.641 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 17.620 -0.694 21.641 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 0.107 -24.525 5.231 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 0.017 -24.595 6.181 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 0.477 -23.655 5.091 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 2.865 -1.183 -8.343 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 2.785 -0.263 -8.563 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 3.405 -1.553 -9.043 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 -14.614 2.357 -12.779 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 -15.004 3.037 -13.329 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 -13.734 2.677 -12.589 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -0.751 -9.068 6.061 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -0.071 -8.398 6.121 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -0.761 -9.308 5.131 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -15.721 11.313 -21.635 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -14.961 11.703 -21.195 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -16.471 11.643 -21.145 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 -5.007 -18.617 -1.795 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 -4.917 -19.567 -1.705 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 -5.957 -18.467 -1.795 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 -22.289 -3.519 11.492 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 -22.139 -4.469 11.462 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 -22.299 -3.239 10.582 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 17.829 6.454 -15.188 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 17.139 6.984 -14.798 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 18.239 7.034 -15.838 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 15.122 15.413 -19.619 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 15.662 15.343 -20.409 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 15.722 15.723 -18.939 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -22.424 23.383 -18.027 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -22.554 24.213 -17.557 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -21.924 23.623 -18.807 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -21.314 1.962 7.763 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -21.584 2.142 8.663 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -20.364 1.902 7.813 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 -19.256 18.505 -7.957 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 -20.086 18.135 -7.647 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -19.486 19.375 -8.267 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 10.675 4.056 -13.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 11.225 4.176 -14.211 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 11.195 3.476 -12.871 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 5.483 7.594 22.425 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 5.093 6.734 22.555 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 5.973 7.524 21.605 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 -11.357 -18.815 -18.663 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 -11.357 -19.775 -18.733 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 -12.187 -18.555 -19.073 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 -24.577 -17.092 12.137 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 -24.137 -17.422 12.917 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 -25.357 -17.642 12.057 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -20.737 -20.195 1.967 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -20.937 -19.265 2.057 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -19.807 -20.255 2.197 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -15.921 16.563 -20.106 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -16.221 17.083 -19.366 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -16.651 15.983 -20.306 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -10.665 -12.719 -1.199 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -11.595 -12.809 -0.989 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -10.565 -11.789 -1.439 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 15.561 20.102 7.155 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 16.401 20.532 6.985 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 15.351 19.652 6.345 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -19.336 4.366 2.364 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -18.836 3.606 2.664 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -20.066 4.426 2.984 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -16.204 6.272 -23.429 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -15.394 5.952 -23.819 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -16.394 7.082 -23.879 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 16.862 -20.815 -10.601 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 17.312 -21.295 -9.901 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 15.982 -21.205 -10.621 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 -20.375 -24.978 20.631 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 -19.625 -24.848 21.221 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 -20.455 -25.928 20.541 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -2.134 -23.337 -6.057 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -1.684 -24.137 -6.307 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -1.494 -22.847 -5.537 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -20.060 21.923 -13.165 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -19.490 22.493 -12.645 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -20.140 21.133 -12.635 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 -11.225 -4.884 -11.587 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 -11.415 -4.574 -10.707 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 -10.355 -5.274 -11.527 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -20.583 22.466 -8.322 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -20.853 21.706 -8.842 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -21.123 23.186 -8.662 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 -20.569 -2.674 6.357 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 -21.099 -3.224 5.767 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 -19.729 -2.584 5.907 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 23.822 12.968 -8.627 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 24.672 12.628 -8.927 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 24.042 13.588 -7.937 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 -15.508 15.870 -10.785 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 -16.198 16.300 -11.285 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 -14.868 16.560 -10.615 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 14.273 20.826 -21.356 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 14.223 20.936 -22.306 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 15.103 20.366 -21.206 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 2.917 21.215 -15.857 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 2.477 22.055 -15.957 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 3.507 21.155 -16.617 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 -17.566 2.036 21.683 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 -17.786 1.946 20.753 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 -18.416 2.026 22.133 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -17.004 -6.596 -7.909 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -17.094 -6.816 -8.829 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -17.604 -5.856 -7.779 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 7.454 -10.214 10.941 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 6.504 -10.094 10.891 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 7.584 -11.144 10.731 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 2.203 -20.598 -8.043 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 1.383 -20.118 -8.153 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 2.003 -21.268 -7.373 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -15.498 15.065 -8.137 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -15.648 15.985 -7.907 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -15.638 15.015 -9.077 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 -5.049 22.484 -2.371 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 -4.759 22.424 -1.461 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 -4.669 23.304 -2.691 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 20.243 20.372 6.981 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 21.023 20.932 6.981 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 20.533 19.552 7.371 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 6.580 21.317 -11.063 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 5.710 21.527 -11.423 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 7.000 20.787 -11.743 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 0.987 25.065 -1.009 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 0.897 24.715 -1.889 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 0.087 25.265 -0.739 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 -6.215 -19.925 20.247 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 -5.755 -19.095 20.117 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 -6.595 -20.125 19.387 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 17.624 18.373 0.133 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 16.854 17.853 -0.087 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 18.244 18.193 -0.567 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 21.044 23.936 14.823 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 21.784 23.356 14.993 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 20.334 23.356 14.553 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 20.431 -20.720 2.375 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 20.811 -19.840 2.385 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 19.511 -20.590 2.575 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 11.593 24.799 -10.255 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 11.483 23.969 -10.725 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 11.383 25.469 -10.905 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 20.424 -11.094 -7.157 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 20.524 -11.994 -7.447 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 20.784 -10.574 -7.877 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 21.863 -6.876 -3.783 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 21.473 -7.336 -3.043 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 21.163 -6.316 -4.113 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -8.526 19.203 13.201 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -9.236 19.333 13.831 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -7.926 19.933 13.361 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 -20.773 -0.113 4.223 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 -21.413 -0.463 4.843 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 -19.973 -0.593 4.413 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -6.764 -7.097 -13.791 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -6.874 -8.017 -14.021 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -6.814 -6.627 -14.621 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 -23.496 0.663 18.387 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 -23.206 0.803 17.487 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 -22.946 -0.037 18.717 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 23.375 -4.284 -3.051 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 22.475 -4.044 -3.271 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 23.905 -3.844 -3.711 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 -19.684 -3.966 22.113 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 -19.954 -3.666 22.983 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 -19.034 -3.326 21.823 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -10.633 -15.405 -18.503 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -10.583 -15.445 -19.463 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -11.473 -15.815 -18.293 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 -6.546 -15.849 -19.845 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 -6.966 -14.999 -19.995 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 -7.046 -16.249 -19.135 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 9.000 -18.887 -9.019 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 8.690 -19.667 -8.569 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 8.370 -18.757 -9.729 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 -12.336 -11.183 4.375 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 -12.716 -10.513 3.804 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 -11.676 -11.613 3.834 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 -19.845 18.785 -4.319 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 -19.325 19.545 -4.589 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 -20.725 19.135 -4.189 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -3.469 -10.888 0.418 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.159 -11.398 1.178 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -3.239 -11.428 -0.332 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -19.535 -18.653 15.581 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -19.135 -19.393 16.061 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -19.775 -18.033 16.271 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 6.419 -9.737 -2.403 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 6.029 -10.267 -3.103 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 5.859 -8.967 -2.343 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 20.584 -16.306 18.093 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 20.244 -15.476 17.753 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 21.364 -16.476 17.553 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 -11.445 7.765 2.298 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 -10.995 7.945 1.468 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 -12.145 7.155 2.058 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 12.511 -17.326 -3.097 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 13.331 -17.716 -2.807 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 12.781 -16.516 -3.547 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 19.076 -11.926 16.849 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 18.786 -11.066 16.529 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 19.736 -11.726 17.509 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 19.833 -1.590 -12.257 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 19.213 -1.360 -12.947 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 20.313 -2.350 -12.607 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -4.213 -22.880 -4.136 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -4.773 -23.360 -4.756 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -3.323 -23.140 -4.375 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 1.142 12.405 -19.939 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 0.402 12.105 -19.409 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 1.392 11.645 -20.459 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 -3.580 -22.015 11.839 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 -2.650 -21.805 11.709 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 -3.750 -22.735 11.239 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 22.166 21.412 -2.253 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 22.756 20.772 -2.653 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 22.416 22.252 -2.633 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -22.856 -17.118 -8.272 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -23.286 -17.448 -9.052 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -23.406 -17.408 -7.552 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 19.493 2.830 -4.105 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 18.683 2.460 -3.765 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 20.113 2.100 -4.115 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 4.075 4.345 12.067 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 3.255 4.825 12.237 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 4.765 4.985 12.207 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -19.419 16.353 24.617 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -18.559 16.353 25.037 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -19.899 17.063 25.057 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 8.362 -18.746 21.819 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 7.952 -17.876 21.859 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 7.622 -19.356 21.749 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -5.878 -19.619 7.367 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -6.818 -19.559 7.197 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -5.618 -18.739 7.627 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 16.725 -8.563 22.153 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 16.655 -9.273 22.793 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 16.885 -9.003 21.323 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 -22.957 -14.104 -24.625 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 -22.577 -14.124 -25.505 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 -22.347 -14.614 -24.095 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 -21.166 3.923 -1.831 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 -21.406 4.803 -2.101 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 -21.366 3.373 -2.591 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 14.525 -7.823 -6.657 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 14.865 -7.483 -5.827 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 15.235 -8.353 -7.017 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 11.647 2.026 -2.929 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 11.517 2.726 -2.289 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 11.567 2.456 -3.779 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -12.214 12.873 18.657 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -11.594 13.393 19.157 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -12.654 13.503 18.087 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 10.975 -13.928 19.975 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 10.965 -13.518 19.115 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 11.755 -14.488 19.955 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 20.795 -18.045 22.285 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 21.285 -17.795 23.075 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 21.475 -18.275 21.655 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 2.815 -8.516 7.748 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 3.085 -7.766 8.268 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 2.175 -8.976 8.288 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 17.930 -13.686 -1.406 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 17.270 -13.046 -1.136 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 17.780 -13.796 -2.346 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 14.412 -8.298 -1.697 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 14.152 -7.868 -0.887 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 15.352 -8.458 -1.597 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -9.655 16.067 14.388 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -9.925 15.947 13.478 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -9.495 15.177 14.708 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 0.604 0.154 14.953 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 0.784 -0.776 14.893 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -0.346 0.214 14.973 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 -11.428 -23.044 13.937 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 -11.308 -23.604 14.717 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 -11.298 -22.154 14.267 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -10.266 -22.320 3.503 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -9.576 -21.660 3.523 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -10.186 -22.770 4.343 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -1.854 6.092 10.845 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -1.174 6.752 10.745 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -2.664 6.592 10.915 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 7.672 -24.515 19.017 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 7.582 -23.595 18.757 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 6.872 -24.715 19.487 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 -20.368 -17.427 2.129 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 -19.468 -17.247 2.409 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 -20.328 -17.457 1.179 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 -10.218 1.902 23.374 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 -10.468 2.312 22.544 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 -9.988 2.642 23.944 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 14.026 16.816 -10.913 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 13.326 16.636 -11.543 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 14.826 16.796 -11.443 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 9.044 24.683 11.977 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 8.734 24.333 11.137 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 8.704 25.573 12.007 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -20.967 -5.727 9.591 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -21.307 -6.487 10.061 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -20.407 -5.277 10.221 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 -23.237 -14.836 -12.762 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 -24.077 -14.876 -13.222 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 -22.667 -15.426 -13.252 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -1.517 4.474 -19.875 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -1.797 4.894 -20.685 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -2.337 4.294 -19.405 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 23.875 -2.356 20.687 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 24.395 -1.796 21.257 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 23.855 -3.206 21.127 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 11.667 2.344 23.793 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 10.877 2.474 24.323 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 11.367 1.844 23.033 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 6.696 3.245 -24.399 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 6.246 2.435 -24.669 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 7.266 2.965 -23.689 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 6.169 23.694 9.199 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 6.479 22.814 8.999 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 6.929 24.254 9.059 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 -20.257 1.757 14.329 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 -19.397 1.347 14.229 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 -20.057 2.677 14.509 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 -3.944 -1.360 -5.947 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 -4.524 -0.610 -5.827 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 -3.544 -1.230 -6.807 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 -15.146 13.464 0.144 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 -16.066 13.304 0.344 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 -14.676 13.134 0.914 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -16.054 -12.246 -1.765 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -15.804 -13.106 -2.105 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -16.584 -12.436 -0.985 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 -7.976 12.267 11.255 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 -7.226 12.257 10.655 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 -8.526 12.997 10.945 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -15.875 6.276 -18.761 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -16.645 6.476 -19.291 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -15.135 6.556 -19.291 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -19.144 -3.666 10.641 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -18.324 -3.706 11.131 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -19.074 -2.866 10.121 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -21.775 17.807 2.913 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -20.885 17.447 2.933 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -22.215 17.307 2.223 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 4.203 2.902 14.593 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 3.613 3.142 13.883 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 3.633 2.622 15.303 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 3.597 12.526 -14.937 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.697 12.706 -15.217 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 4.117 13.216 -15.357 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 13.467 -12.007 -18.709 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 12.917 -12.567 -18.169 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 12.897 -11.277 -18.959 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 3.719 -20.928 1.283 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 4.579 -21.148 1.633 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 3.329 -21.768 1.053 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 -18.846 10.285 -15.537 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 -18.456 10.985 -16.057 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 -18.236 10.165 -14.797 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -10.324 13.304 10.267 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -11.154 12.834 10.317 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -10.054 13.214 9.347 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -22.617 -10.667 -13.301 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -21.737 -10.847 -12.961 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -23.087 -10.307 -12.551 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 13.836 14.899 3.167 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 14.646 15.119 2.707 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 13.216 15.589 2.907 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -25.007 -0.237 22.055 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -25.007 -0.087 21.105 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -24.827 0.623 22.435 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 -2.547 -8.955 -20.659 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 -2.797 -8.555 -21.489 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 -3.317 -9.455 -20.389 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -17.885 18.844 5.251 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -18.325 18.004 5.281 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -17.335 18.844 6.041 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -7.687 21.367 18.115 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -7.127 22.137 18.205 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -7.087 20.627 18.225 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 -13.455 -21.327 -5.706 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 -13.695 -21.157 -4.786 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 -12.915 -22.117 -5.666 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -9.534 19.506 21.771 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -10.044 18.696 21.851 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -8.624 19.216 21.851 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 13.043 20.333 -4.851 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 12.173 19.963 -4.661 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 13.643 19.813 -4.311 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 1.866 -12.595 13.497 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 1.406 -11.755 13.397 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 2.066 -12.855 12.597 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 13.262 6.575 11.121 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 13.222 6.535 12.081 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 13.172 5.665 10.851 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -9.494 -23.646 -7.212 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -10.184 -23.056 -7.502 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -9.964 -24.436 -6.922 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.696 13.606 -21.612 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 21.816 12.736 -21.232 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.966 14.216 -20.932 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 -19.800 -23.184 0.131 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 -18.990 -23.524 0.521 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 -19.950 -23.734 -0.629 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -12.325 10.333 7.433 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -11.425 10.523 7.173 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -12.855 10.883 6.863 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 -24.041 2.147 -2.222 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 -24.051 1.547 -1.472 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 -24.681 1.787 -2.822 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 4.673 18.317 -10.929 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 4.323 18.677 -11.749 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 4.283 17.447 -10.859 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 4.837 -22.260 -18.249 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 5.197 -21.370 -18.349 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 5.547 -22.840 -18.489 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 7.641 -24.548 -5.427 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 7.321 -23.938 -4.767 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 8.301 -25.068 -4.977 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 -10.015 -24.109 20.503 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 -10.085 -23.729 21.373 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 -9.075 -24.289 20.393 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 21.114 0.765 -4.821 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 21.604 0.725 -4.001 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 21.034 -0.145 -5.091 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -14.088 22.331 -15.291 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -13.988 22.441 -14.351 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -15.038 22.321 -15.431 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.846 17.442 -4.759 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.686 18.172 -4.169 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.376 17.812 -5.469 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 -13.938 -12.915 -24.509 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 -14.608 -12.525 -23.949 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 -14.328 -12.915 -25.379 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 18.614 11.367 0.015 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 19.144 11.157 0.785 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 17.774 11.657 0.365 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 3.133 -0.876 12.594 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 2.383 -1.096 12.034 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 3.243 0.074 12.474 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -21.936 12.967 9.909 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -22.686 12.467 10.239 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 -21.176 12.467 10.189 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -16.585 13.264 22.987 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -16.215 13.004 23.827 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -17.435 13.654 23.207 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 21.205 17.902 -21.873 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 21.985 17.732 -21.333 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 21.045 17.072 -22.323 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 22.512 16.285 25.191 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 23.302 16.285 25.741 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 22.832 16.085 24.311 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 6.524 -23.144 -3.261 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 5.924 -23.864 -3.051 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 7.054 -23.024 -2.471 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 -23.897 19.942 -2.083 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 -24.157 19.022 -2.043 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 -23.767 20.202 -1.173 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 4.966 11.161 11.277 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 5.856 11.291 11.607 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 4.846 11.871 10.637 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 13.183 -23.986 -18.095 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 12.593 -23.996 -17.335 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 12.723 -24.486 -18.765 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 -15.606 -17.064 21.193 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 -14.816 -16.814 21.673 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 -15.286 -17.634 20.493 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -24.049 18.738 4.541 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -24.639 18.648 3.781 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -23.179 18.538 4.201 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 -22.696 5.054 19.653 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 -23.636 4.874 19.613 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 -22.416 4.694 20.493 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 3.994 16.307 17.005 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 4.334 16.177 16.125 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 4.244 17.207 17.235 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -22.528 -5.174 5.185 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -23.048 -5.774 4.645 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -21.868 -4.824 4.585 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -2.075 -10.669 3.921 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -3.015 -10.589 4.051 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -1.955 -11.559 3.581 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -1.817 -25.233 -2.449 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -1.287 -25.813 -2.999 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -1.217 -24.533 -2.189 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 -19.094 24.719 10.615 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 -18.414 24.499 9.975 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 -19.894 24.819 10.095 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 0.649 20.445 21.257 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 -0.151 19.925 21.237 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 1.349 19.795 21.237 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -21.273 15.404 -13.830 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -20.413 14.984 -13.830 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -21.763 14.964 -13.140 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 13.981 13.087 -0.613 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 14.101 12.577 -1.413 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 13.171 12.747 -0.233 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 -22.004 20.315 -14.547 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 -21.894 20.535 -15.477 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 -21.394 20.885 -14.087 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 -7.545 -21.477 10.279 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 -7.845 -22.387 10.219 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 -7.425 -21.197 9.369 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 1.595 -6.367 -20.066 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 0.755 -5.947 -19.906 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 2.215 -5.647 -20.146 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 -13.017 4.934 -11.153 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 -13.747 5.304 -10.663 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 -12.237 5.364 -10.783 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 -8.283 23.105 20.905 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 -7.493 22.575 21.005 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 -8.583 22.905 20.015 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 15.710 -17.329 9.477 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 15.880 -17.899 8.727 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 15.260 -16.579 9.107 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 -18.918 -24.515 17.421 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 -19.128 -24.685 16.501 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 -19.668 -24.865 17.901 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -14.276 -15.737 -7.306 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -14.496 -14.807 -7.286 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -15.046 -16.167 -6.935 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 -15.805 24.724 19.121 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 -16.445 24.074 18.831 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 -15.395 25.044 18.321 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 2.503 7.143 5.619 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 2.353 7.133 6.559 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 3.383 7.533 5.529 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -23.536 19.336 25.115 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -23.696 20.156 24.655 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -24.406 18.936 25.195 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 2.544 3.115 -21.347 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 2.694 3.915 -20.847 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 2.684 2.405 -20.727 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 0.513 -12.414 8.655 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 0.993 -12.714 9.425 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 0.953 -12.854 7.915 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 12.095 -3.816 24.345 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 12.855 -4.236 23.955 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 12.155 -4.016 25.275 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 20.321 -5.396 -5.709 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 20.481 -6.006 -6.429 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 19.381 -5.226 -5.749 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -17.149 19.747 23.421 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -17.009 18.937 22.931 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -17.639 19.467 24.191 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 18.921 -0.068 -15.039 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 18.361 0.442 -15.619 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 19.511 0.582 -14.649 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 14.743 4.113 -10.221 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 14.153 4.443 -9.551 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 14.203 3.523 -10.751 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 19.913 24.704 -17.399 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 20.663 24.114 -17.429 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 20.283 25.554 -17.149 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 24.066 -0.048 5.865 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 24.676 0.102 6.585 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 23.946 0.812 5.465 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -13.416 -2.207 -3.543 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -13.286 -1.817 -2.673 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -12.536 -2.487 -3.803 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 8.282 12.004 23.621 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 8.812 12.474 22.981 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 8.102 11.154 23.211 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 12.832 -8.467 -9.259 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 13.442 -8.977 -8.719 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 12.962 -8.797 -10.149 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -11.647 18.975 -22.152 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -11.697 18.285 -21.492 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -12.527 18.995 -22.532 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 -22.755 7.566 -15.716 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 -22.895 6.616 -15.766 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 -22.545 7.726 -14.806 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 5.953 24.702 5.319 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 5.273 24.272 5.829 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 6.013 25.582 5.689 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.454 16.084 14.783 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.494 15.654 13.923 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 6.174 16.714 14.763 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 9.034 22.477 -14.237 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 9.294 21.897 -14.947 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 8.074 22.507 -14.297 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 -20.691 -12.616 -17.401 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 -20.181 -13.066 -18.081 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 -20.261 -12.856 -16.581 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 -16.486 19.296 19.247 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 -16.916 18.446 19.167 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 -15.726 19.236 18.667 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -12.107 22.473 -7.977 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -12.097 22.673 -7.047 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -13.027 22.263 -8.167 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -15.536 -7.696 18.293 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -14.666 -7.636 18.683 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -15.506 -7.086 17.553 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -25.220 2.253 -9.478 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -24.380 2.713 -9.538 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -24.970 1.333 -9.388 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 14.086 2.222 -15.525 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 14.066 3.022 -15.005 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 13.226 1.822 -15.365 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -3.908 -15.144 -12.565 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -4.758 -14.754 -12.745 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -3.288 -14.414 -12.595 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 -15.156 9.135 -11.715 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 -16.046 9.485 -11.765 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 -14.706 9.495 -12.475 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 17.459 -1.009 4.709 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 16.539 -1.239 4.689 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 17.899 -1.719 4.229 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 3.825 23.313 14.917 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 4.355 22.703 14.397 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 3.405 22.763 15.577 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -23.319 13.611 22.259 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -23.269 14.421 22.769 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -22.469 13.551 21.809 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 10.393 -16.693 -23.487 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 11.143 -16.123 -23.317 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 9.643 -16.193 -23.187 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -10.401 3.245 -18.323 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -9.711 3.835 -18.003 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -10.381 2.515 -17.713 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 1.620 -1.277 25.339 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.300 -1.227 24.439 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 2.570 -1.337 25.249 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 9.925 5.224 -1.251 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 9.275 4.944 -0.611 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 10.755 4.914 -0.901 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 14.379 -7.276 22.557 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 14.829 -8.066 22.267 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 14.499 -6.646 21.847 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 16.826 23.111 -16.626 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 16.826 23.361 -17.556 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 17.726 23.251 -16.346 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -7.765 -5.267 6.597 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -7.925 -6.207 6.527 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -7.555 -5.127 7.517 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -18.358 13.883 17.833 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -18.898 14.673 17.923 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -17.528 14.123 18.253 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 6.643 -23.209 -0.201 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 6.973 -24.099 -0.291 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 5.703 -23.309 -0.071 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 13.045 15.083 -21.716 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 13.795 15.283 -22.286 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 13.375 15.213 -20.826 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 23.770 20.143 -19.735 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 22.840 20.353 -19.795 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 24.110 20.773 -19.095 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -10.388 4.154 -11.509 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -10.968 3.934 -12.229 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -10.068 5.034 -11.709 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -22.784 10.464 19.845 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -23.094 11.304 20.175 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -22.174 10.144 20.505 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -18.537 -10.385 -2.701 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -19.057 -9.685 -2.301 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -18.557 -11.095 -2.061 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 -15.797 -23.769 4.167 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 -15.987 -23.499 5.067 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 -15.327 -23.019 3.787 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 16.589 10.851 -8.451 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 16.779 11.241 -7.591 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 17.359 10.331 -8.651 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 -14.989 22.181 -19.349 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 -15.069 23.131 -19.369 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 -14.069 22.021 -19.149 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -2.510 -1.347 -2.319 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -2.220 -1.957 -1.639 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -3.450 -1.507 -2.399 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 17.181 14.283 15.519 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 17.781 14.513 16.229 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 17.761 14.053 14.789 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 -21.133 17.297 -10.613 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 -20.403 16.927 -11.113 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 -20.863 18.197 -10.433 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -18.443 12.654 4.957 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -19.083 12.314 5.587 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -18.893 13.374 4.527 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -12.495 -18.779 -12.786 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -11.615 -19.139 -12.646 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -12.335 -17.929 -13.206 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 9.551 18.215 2.513 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 9.521 18.795 3.263 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 9.051 18.665 1.833 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 16.473 -14.536 6.683 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 17.353 -14.196 6.833 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 16.453 -14.746 5.753 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 4.807 -9.256 13.431 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 4.617 -9.106 14.361 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 3.937 -9.316 13.021 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 24.339 0.168 1.988 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 23.649 0.598 1.468 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 25.119 0.208 1.428 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 11.184 24.996 4.888 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 10.454 24.456 5.218 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 10.994 25.876 5.218 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 17.793 1.794 -21.999 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 18.663 1.404 -22.069 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 17.613 1.814 -21.059 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 24.803 7.270 11.927 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 24.233 7.930 11.537 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 25.503 7.150 11.287 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 2.024 1.343 -4.831 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 2.754 0.803 -4.531 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 1.324 0.713 -5.031 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 8.823 -8.427 -4.509 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 9.553 -8.557 -3.899 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 8.043 -8.667 -3.999 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 -3.458 -24.484 6.151 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 -4.338 -24.104 6.131 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 -3.598 -25.434 6.131 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 -1.897 -18.516 -11.755 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 -2.057 -18.206 -12.645 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 -0.997 -18.256 -11.575 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 2.484 19.132 11.579 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 1.954 19.842 11.949 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 1.934 18.782 10.879 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 6.202 -10.014 0.715 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 6.522 -10.834 0.345 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 5.302 -9.924 0.385 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 -18.494 -21.406 2.974 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 -18.934 -22.246 2.824 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 -17.564 -21.616 3.004 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 12.870 24.361 -7.745 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 12.440 24.421 -8.595 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 13.110 23.441 -7.655 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 -0.147 6.759 -8.392 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 -0.737 7.339 -7.912 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 -0.337 5.879 -8.052 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -0.848 -19.915 -8.505 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -1.498 -19.415 -9.005 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -0.778 -19.455 -7.665 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 -3.291 11.334 -21.057 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 -3.921 11.684 -20.437 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 -2.831 10.644 -20.577 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 6.864 8.826 18.955 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 7.574 8.256 19.235 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 7.294 9.606 18.615 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -23.535 -17.456 -4.903 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -22.985 -16.806 -5.343 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -24.005 -17.896 -5.613 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -17.426 -1.280 24.255 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -16.496 -1.250 24.445 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -17.626 -0.420 23.905 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 4.613 5.355 -7.569 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 4.483 4.795 -6.809 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 5.563 5.385 -7.689 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 2.104 24.653 -13.067 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 1.924 24.373 -12.167 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 1.244 24.863 -13.427 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 18.214 18.961 22.977 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 17.314 18.651 22.927 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 18.324 19.231 23.897 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -23.931 18.864 -19.981 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -24.851 19.084 -20.151 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -23.931 17.924 -19.841 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -6.616 8.702 20.329 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -6.866 8.122 19.609 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -5.706 8.472 20.519 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -16.714 -7.558 23.337 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -17.244 -6.918 23.807 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -17.254 -7.808 22.587 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 13.663 22.017 -13.133 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 12.733 21.977 -12.933 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 13.703 22.217 -14.073 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 20.944 20.103 -8.477 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 21.714 19.963 -9.027 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 20.994 21.033 -8.237 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 2.737 -13.007 -22.159 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 2.987 -13.877 -21.839 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 3.317 -12.847 -22.899 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 10.973 8.384 -1.545 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 10.653 8.964 -2.245 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 10.363 7.644 -1.555 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 8.065 14.465 -4.457 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 8.295 15.385 -4.347 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 7.125 14.435 -4.267 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -22.608 16.164 1.073 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -23.528 16.324 0.873 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -22.148 16.334 0.243 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 16.005 -0.935 -14.495 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 16.315 -0.365 -13.785 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 16.495 -0.645 -15.265 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 13.704 -10.456 8.775 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 13.494 -9.766 9.405 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 12.884 -10.916 8.645 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 -3.357 -5.259 -10.632 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 -2.637 -4.899 -10.112 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 -3.977 -5.579 -9.982 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 24.337 4.338 20.217 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 23.907 4.548 19.387 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 23.887 4.888 20.867 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -18.131 -17.027 21.955 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -17.311 -17.517 22.045 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -18.811 -17.707 21.975 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 -12.395 16.015 19.269 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 -12.375 16.895 19.659 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 -13.015 16.085 18.549 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -24.988 7.814 19.869 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -24.968 7.384 20.729 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -24.708 8.714 20.059 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 21.254 8.557 -23.613 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 20.984 8.217 -22.763 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 21.774 7.857 -24.003 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 10.189 1.323 -13.609 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 9.839 2.153 -13.939 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 11.019 1.213 -14.079 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 5.026 -11.726 3.453 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 5.506 -12.266 4.083 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 5.636 -11.026 3.223 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 -13.765 6.364 -16.563 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 -14.325 6.654 -17.283 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 -14.095 6.834 -15.793 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 -12.248 9.084 -3.203 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 -12.748 8.894 -3.993 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 -12.888 9.064 -2.493 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 10.031 9.875 -6.997 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 10.591 9.855 -7.767 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 10.591 9.595 -6.267 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 17.495 -23.259 -0.909 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 16.865 -23.879 -1.269 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 18.135 -23.139 -1.609 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 17.302 6.513 24.938 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 16.412 6.823 25.088 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 17.202 5.743 24.368 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 -13.009 5.404 -22.047 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 -13.109 5.874 -21.227 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 -12.099 5.544 -22.297 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 0.481 10.925 0.114 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -0.369 11.015 -0.316 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 0.811 10.085 -0.186 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -17.623 20.206 -0.365 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -17.403 19.806 0.485 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -18.143 19.546 -0.815 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 13.923 -22.869 7.275 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 14.233 -21.989 7.495 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 13.843 -23.319 8.125 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -8.714 23.444 12.128 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -8.204 23.994 12.728 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -8.334 23.624 11.268 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 14.450 -22.185 10.103 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 13.890 -22.655 10.723 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 14.790 -21.445 10.603 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 -2.978 -1.377 -15.253 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 -3.108 -1.287 -16.203 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 -2.278 -0.757 -15.053 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 -16.038 17.458 -6.950 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 -16.018 17.458 -5.990 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 -16.848 17.908 -7.170 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 8.497 -2.436 5.041 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 8.037 -2.156 5.831 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 7.827 -2.846 4.491 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 -9.005 -8.066 10.133 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 -9.805 -8.316 9.663 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 -8.295 -8.416 9.603 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 -16.888 9.965 13.179 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 -16.188 10.445 12.729 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 -17.128 9.275 12.569 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 -2.793 4.322 -22.229 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 -2.613 3.422 -21.959 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 -3.623 4.262 -22.699 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 20.896 24.115 -2.501 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 20.316 24.745 -2.931 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 20.306 23.475 -2.101 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 20.453 18.963 18.087 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 20.773 19.863 18.087 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 19.533 19.043 18.347 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 19.830 -15.624 -23.393 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 20.730 -15.324 -23.503 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 19.510 -15.124 -22.643 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 16.996 -16.355 -24.461 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 16.556 -16.685 -23.681 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 17.826 -16.835 -24.491 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 9.496 -3.900 19.723 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 9.146 -4.080 18.853 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 9.996 -4.680 19.953 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 20.311 5.394 15.518 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 21.031 5.874 15.108 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 20.151 4.654 14.938 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 9.873 3.581 -4.819 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 9.923 3.761 -5.759 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 9.633 4.411 -4.419 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -8.865 -8.223 23.221 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -8.095 -8.693 23.551 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -8.545 -7.343 23.041 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -0.963 -10.206 -22.981 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -1.263 -9.586 -22.321 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -0.643 -9.666 -23.701 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 -24.744 -18.261 6.831 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 -24.534 -19.041 6.311 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 -24.634 -17.531 6.221 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 8.675 -21.157 -5.049 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 8.635 -21.967 -4.549 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 8.805 -20.477 -4.389 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 10.433 13.659 22.761 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 11.013 13.729 23.531 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 10.933 14.049 22.051 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 14.123 -10.017 0.819 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 15.023 -10.287 0.619 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 13.583 -10.717 0.469 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -8.406 20.032 -15.493 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -9.316 20.032 -15.783 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -7.976 20.682 -16.043 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 18.474 9.287 7.871 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 17.854 8.757 7.381 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 18.074 9.397 8.731 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -15.096 -11.828 21.305 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -15.066 -11.798 20.345 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -15.996 -11.598 21.525 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 12.193 -5.339 11.374 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 12.393 -6.249 11.154 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 13.053 -4.909 11.394 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 -8.104 20.657 -9.213 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 -8.784 21.077 -8.693 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 -7.764 21.357 -9.773 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 10.984 0.553 21.489 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 11.574 0.293 20.779 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 10.934 -0.217 22.049 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -5.835 -8.674 -3.311 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -6.165 -8.964 -4.161 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -6.595 -8.734 -2.731 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 16.120 -2.295 15.761 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 16.190 -1.685 15.021 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 17.000 -2.645 15.851 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 3.999 1.476 -8.567 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 4.939 1.656 -8.557 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 3.819 1.116 -7.707 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 -20.693 -6.435 -2.181 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 -21.483 -6.515 -1.651 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 -20.683 -7.235 -2.711 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 -6.359 12.154 8.845 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 -5.559 12.004 8.345 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 -7.049 12.184 8.175 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 -21.346 15.077 21.197 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 -21.616 15.557 20.407 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 -20.986 14.257 20.857 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 17.382 -18.932 11.070 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 18.102 -19.042 10.450 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 16.702 -18.472 10.580 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 19.783 15.847 -3.681 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 20.353 16.187 -4.381 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 19.353 15.087 -4.071 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 13.055 -5.830 -7.809 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 13.275 -5.670 -8.729 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 13.475 -6.670 -7.609 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 6.292 -23.369 8.657 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 6.482 -22.739 7.967 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 5.362 -23.249 8.837 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 4.290 -11.679 -10.127 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 4.350 -10.729 -10.197 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 5.170 -11.989 -10.307 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 -5.479 5.994 -5.152 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 -5.189 5.214 -5.622 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 -4.679 6.344 -4.762 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 13.575 0.155 -13.317 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 12.725 -0.265 -13.307 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 14.135 -0.425 -13.827 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 -1.934 2.704 -12.970 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 -2.134 3.634 -13.070 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 -2.794 2.294 -12.830 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 -22.357 7.714 -6.935 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 -22.197 8.214 -7.736 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 -23.307 7.714 -6.836 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -13.191 9.927 1.279 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -12.641 9.627 1.999 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -13.721 10.627 1.659 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 8.944 2.921 16.858 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 8.234 3.191 16.268 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 8.824 3.461 17.628 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -14.967 11.977 6.559 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -15.517 11.727 5.809 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -14.627 12.847 6.319 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 16.542 12.976 1.421 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 15.902 13.136 0.731 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 16.422 12.046 1.641 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -9.329 23.685 15.799 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -9.339 23.535 16.749 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -9.279 22.795 15.429 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 20.023 -9.417 17.164 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 20.553 -9.007 16.474 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 19.203 -8.917 17.164 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 -16.487 -23.038 17.221 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 -16.457 -23.468 18.071 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 -17.357 -23.248 16.881 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 17.499 -8.526 -7.659 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 18.079 -8.716 -8.399 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 17.419 -7.566 -7.659 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 13.815 21.841 -7.891 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 13.935 21.111 -7.281 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 13.915 21.451 -8.761 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 24.184 19.280 21.764 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 24.344 20.170 21.444 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 23.264 19.110 21.554 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 7.943 10.753 14.531 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 7.213 10.303 14.101 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 7.903 11.653 14.211 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 18.505 16.345 11.224 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 18.385 16.925 10.474 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 19.345 16.615 11.604 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 13.960 19.645 -9.599 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 13.780 19.295 -10.469 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 13.420 19.115 -9.009 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 22.612 4.823 17.753 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 22.482 5.513 17.103 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 22.212 4.043 17.363 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 0.167 -16.396 0.867 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 0.657 -15.636 0.547 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -0.553 -16.506 0.247 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 20.235 -9.077 -2.797 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 19.695 -8.897 -3.567 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 20.105 -10.007 -2.627 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 5.314 6.933 5.344 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 5.634 6.913 4.445 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 5.434 6.033 5.664 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -7.773 24.676 -15.177 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -7.543 25.156 -15.987 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -7.113 23.996 -15.117 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 -4.208 -21.789 -7.091 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 -3.478 -22.399 -7.111 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 -4.608 -21.919 -6.231 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -3.295 15.554 -15.773 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -2.545 16.084 -15.483 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -2.905 14.764 -16.133 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 -8.409 -14.605 4.993 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 -8.739 -14.045 5.703 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 -8.369 -15.475 5.383 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -21.885 -14.567 11.195 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -22.095 -14.027 11.955 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -22.425 -15.347 11.305 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 1.729 14.967 -18.833 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 1.079 15.367 -19.413 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 2.059 14.217 -19.323 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -18.558 25.245 14.534 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -17.988 24.985 13.814 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -19.438 24.975 14.264 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -9.657 5.969 5.218 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -8.987 6.469 5.668 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -9.957 5.329 5.858 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -11.885 10.285 -21.632 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -12.365 10.775 -22.302 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -11.305 9.705 -22.122 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 3.443 5.932 22.920 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 2.943 5.152 22.670 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 2.783 6.552 23.240 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 -11.523 -0.576 -5.782 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 -10.793 -1.076 -5.412 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 -11.123 0.204 -6.142 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 -19.345 -24.142 -18.411 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 -19.515 -23.602 -17.651 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 -18.435 -23.932 -18.661 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 13.604 25.074 -12.463 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 13.704 24.164 -12.163 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 13.804 25.034 -13.393 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 16.444 -21.609 -25.167 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 16.804 -20.749 -24.977 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 17.204 -22.149 -25.377 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 -0.395 -5.014 4.383 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 -0.635 -4.094 4.233 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 -0.985 -5.514 3.813 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 4.877 20.752 -1.691 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 4.067 20.832 -1.191 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 5.377 21.542 -1.471 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -4.260 16.263 21.275 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -5.090 16.023 21.685 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -3.610 16.213 21.985 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -8.680 17.645 7.137 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -8.310 18.445 7.487 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -9.300 17.345 7.797 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 -3.645 7.524 19.637 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 -3.345 8.104 18.947 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 -3.345 6.654 19.357 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -22.287 -4.633 -6.569 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -21.647 -5.343 -6.629 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -22.147 -4.113 -7.359 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 -24.693 -4.879 -5.188 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -23.813 -4.819 -5.558 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -25.233 -5.209 -5.908 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 -18.516 -6.447 -10.526 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 -18.246 -7.327 -10.796 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 -19.216 -6.597 -9.896 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 7.563 -0.366 -10.612 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 7.613 -0.826 -9.772 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 7.243 -1.016 -11.232 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 21.372 16.546 17.244 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 21.052 17.416 17.484 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 22.042 16.346 17.904 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 19.721 -15.387 -3.593 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 18.821 -15.627 -3.373 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 19.631 -14.597 -4.123 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 12.411 -15.865 -10.786 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 12.021 -15.465 -10.016 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 13.351 -15.715 -10.685 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 2.892 -0.044 -1.275 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 2.272 0.556 -1.685 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 2.552 -0.914 -1.465 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 -25.057 1.080 14.001 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 -24.247 1.550 14.191 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 -24.977 0.820 13.081 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 16.071 8.183 3.886 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 16.791 8.673 3.486 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 16.451 7.343 4.126 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 -11.597 -9.019 -5.707 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 -11.957 -9.889 -5.877 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 -10.847 -8.949 -6.297 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 -17.226 -6.496 -4.939 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 -16.286 -6.506 -5.129 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 -17.636 -6.376 -5.789 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 23.751 -14.324 2.531 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 22.981 -14.244 1.971 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 24.431 -14.684 1.961 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 0.774 -3.768 -20.993 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 1.484 -4.218 -21.443 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 0.544 -3.048 -21.583 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 -19.535 -6.468 22.501 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 -19.815 -6.938 21.721 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 -19.465 -5.548 22.221 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -12.425 14.753 16.013 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -13.215 15.123 15.623 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.805 15.493 16.033 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -8.186 7.523 -18.936 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -9.046 7.453 -18.506 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -8.396 7.703 -19.856 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 -12.838 10.584 -18.981 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 -12.228 10.534 -19.721 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 -12.388 10.114 -18.281 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 5.944 18.757 20.553 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 5.774 18.347 19.703 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 5.774 18.057 21.183 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -4.571 10.606 -16.396 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -3.961 10.646 -15.666 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -5.261 10.006 -16.106 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 -13.377 1.152 15.491 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 -13.477 0.952 14.571 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 -12.447 1.032 15.671 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 -16.336 21.207 4.399 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 -16.576 21.607 5.229 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 -15.996 20.347 4.639 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -25.247 22.794 -18.537 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -25.847 23.204 -17.917 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -24.407 23.204 -18.357 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 -6.096 -1.149 10.559 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 -6.416 -0.689 9.779 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 -6.896 -1.369 11.039 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 4.524 18.673 -3.611 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 5.374 18.943 -3.941 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 4.254 19.373 -3.021 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 10.643 20.465 8.665 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 11.523 20.835 8.665 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 10.773 19.535 8.505 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -20.883 -24.477 -20.856 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -20.483 -24.547 -19.986 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -20.263 -24.917 -21.436 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 -10.426 -15.606 -21.436 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 -10.896 -15.126 -22.116 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 -9.526 -15.686 -21.766 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 25.515 21.506 18.881 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 25.185 21.716 19.761 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 24.825 20.976 18.491 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 -12.104 -21.216 -8.781 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 -12.044 -20.336 -8.391 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 -12.864 -21.616 -8.361 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -5.204 -9.814 -20.513 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -5.444 -10.034 -21.413 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -5.684 -10.434 -19.973 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 -11.654 -18.829 2.449 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 -10.854 -18.919 1.939 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 -12.044 -19.699 2.459 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 0.953 -6.515 17.933 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 0.743 -6.865 18.793 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 1.883 -6.285 17.983 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 0.655 -19.884 -4.425 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 0.065 -19.384 -4.985 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 0.385 -19.664 -3.535 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 10.622 -9.149 -16.841 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 10.792 -8.729 -15.991 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 9.672 -9.139 -16.931 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 -4.118 0.734 -12.929 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 -4.078 0.364 -13.809 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 -4.778 0.204 -12.479 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 -4.805 17.771 5.504 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 -5.595 17.961 4.994 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 -4.135 17.591 4.844 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.627 -5.296 16.773 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.357 -4.386 16.653 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 11.527 -5.326 16.453 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 6.954 -19.667 13.677 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 7.694 -19.287 14.147 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 7.174 -20.597 13.607 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -10.834 -21.274 19.941 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -10.904 -22.224 19.821 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -9.934 -21.074 19.731 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 23.491 10.534 -18.301 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 22.651 10.824 -18.651 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 23.251 9.894 -17.631 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 8.965 -12.243 20.538 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 9.885 -12.483 20.478 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 8.505 -13.073 20.688 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 18.094 -20.236 21.466 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 18.504 -19.646 22.106 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 18.094 -19.726 20.646 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 1.323 23.823 -7.555 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 0.713 23.423 -8.175 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 2.183 23.653 -7.925 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 2.194 -5.437 23.848 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 3.034 -5.887 23.838 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 2.384 -4.547 23.538 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 11.045 12.516 -23.746 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 11.935 12.656 -24.066 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 10.835 13.306 -23.256 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 -16.418 10.733 -3.265 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 -16.208 11.653 -3.465 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 -15.868 10.233 -3.855 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 25.236 25.026 -10.139 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 24.286 24.996 -9.989 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 25.326 24.876 -11.079 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -20.387 2.636 -6.919 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -20.267 1.756 -7.279 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -21.197 2.566 -6.409 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -6.538 7.975 -16.882 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -7.108 7.925 -17.642 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -7.018 8.505 -16.252 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 16.901 -10.087 19.555 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 16.611 -10.867 19.085 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 17.211 -9.497 18.865 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 9.634 8.925 -14.601 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 9.164 8.095 -14.571 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 10.024 8.945 -15.471 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 0.647 14.295 -16.011 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 0.667 15.205 -15.711 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 1.057 14.325 -16.881 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 1.084 24.705 -4.533 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 1.084 24.255 -5.373 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 1.284 25.615 -4.743 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 -3.418 20.986 22.035 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 -3.308 21.896 21.745 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 -3.538 21.046 22.975 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 13.444 22.144 12.303 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 14.274 22.634 12.353 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 12.764 22.814 12.383 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 16.104 -11.254 22.895 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 16.254 -11.304 21.955 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 15.194 -11.534 23.005 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 20.895 22.124 -5.161 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 21.805 22.364 -4.981 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 20.775 22.314 -6.091 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 6.001 -15.813 10.305 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 6.441 -15.053 10.685 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 6.461 -16.573 10.665 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -16.575 -8.285 5.479 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -17.505 -8.065 5.469 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -16.415 -8.645 6.349 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -19.416 9.587 23.257 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -19.746 8.757 22.927 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -18.886 9.937 22.537 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 23.837 23.685 5.607 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 23.527 22.785 5.667 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 24.337 23.715 4.797 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -4.626 -23.433 14.525 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -4.516 -22.553 14.895 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -3.746 -23.693 14.255 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 11.995 -18.908 -23.383 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 12.845 -18.878 -23.833 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 11.665 -18.018 -23.443 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 19.956 21.667 22.377 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 19.656 22.227 23.087 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 19.726 20.777 22.657 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 10.936 -0.914 3.789 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 11.676 -1.504 3.899 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 10.266 -1.444 3.369 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 22.173 0.723 9.458 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 22.733 1.363 9.898 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 22.463 -0.127 9.798 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 14.042 0.811 1.465 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 14.392 1.111 2.305 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 13.132 1.101 1.465 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 23.795 -12.407 -20.296 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 23.515 -11.507 -20.156 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 24.745 -12.357 -20.386 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -16.846 -2.317 -19.397 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -16.936 -2.107 -18.467 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -16.956 -3.277 -19.427 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 18.862 19.714 -24.895 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 18.132 20.334 -24.895 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 19.242 19.784 -24.025 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -21.176 18.142 14.813 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -20.266 18.342 15.023 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -21.646 18.962 14.993 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 24.684 2.974 9.814 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 24.164 3.704 10.154 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 25.384 3.394 9.315 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 2.241 0.566 20.315 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 2.261 0.066 19.495 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 2.931 0.176 20.845 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -10.806 12.845 -22.996 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -10.276 12.795 -22.206 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -10.366 12.275 -23.626 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 -12.287 19.752 1.734 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 -11.787 20.462 1.344 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 -13.017 19.602 1.125 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 3.585 -16.958 8.069 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 4.245 -16.778 7.399 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 2.935 -16.268 7.939 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 -3.275 -0.555 3.007 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 -3.175 0.245 3.527 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 -3.595 -0.245 2.157 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -23.894 4.565 16.123 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -23.934 5.515 16.163 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -24.364 4.335 15.323 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 15.693 -12.285 -5.267 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 14.993 -11.855 -4.777 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 15.563 -11.995 -6.167 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -22.141 -14.496 -2.546 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -22.041 -15.046 -3.316 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -21.351 -14.656 -2.026 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 -18.767 -0.234 -1.371 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 -18.607 -1.084 -1.801 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 -19.467 -0.414 -0.741 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -14.868 24.517 22.359 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -15.698 24.337 22.799 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -15.118 24.837 21.499 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 -17.384 1.237 13.655 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 -17.274 2.107 14.035 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 -17.194 0.637 14.375 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -6.036 -0.095 -15.611 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -6.486 0.255 -16.371 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -5.816 -0.995 -15.851 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 5.293 -16.848 -3.315 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 5.743 -17.618 -2.975 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 4.633 -17.198 -3.915 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -1.156 -15.574 -18.875 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -0.516 -14.914 -18.595 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -1.306 -16.114 -18.105 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -19.575 -5.335 -18.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -20.065 -6.085 -18.099 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -19.915 -4.595 -17.929 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -20.836 -16.668 -20.165 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -20.166 -16.188 -20.655 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -21.536 -16.818 -20.795 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -0.933 -0.458 -9.759 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -0.853 -1.418 -9.729 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -0.493 -0.218 -10.579 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 -10.617 -22.196 0.794 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 -10.237 -22.026 1.654 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 -11.557 -22.276 0.954 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 -17.604 14.617 7.475 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 -17.314 15.037 8.285 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 -17.384 13.697 7.585 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 24.864 5.554 6.185 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 24.154 5.064 5.755 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 25.414 5.864 5.465 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 9.806 -23.293 3.036 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 9.916 -23.553 2.126 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 10.486 -23.773 3.506 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -22.655 -9.896 22.090 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -23.445 -10.086 21.590 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -22.925 -9.246 22.730 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 15.764 16.930 -15.759 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 16.404 17.010 -16.459 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 16.264 16.600 -15.009 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 15.256 24.987 19.713 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 15.296 25.857 19.313 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 15.156 24.387 18.983 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 10.911 7.453 2.423 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 11.741 7.763 2.053 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 10.891 6.523 2.223 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 23.594 -4.297 22.821 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 24.054 -4.577 23.611 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 23.344 -5.107 22.381 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 -14.404 -15.033 2.189 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 -14.114 -14.463 1.469 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 -14.134 -15.913 1.929 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 -9.556 -5.236 0.777 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 -9.226 -5.136 -0.113 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 -10.506 -5.206 0.687 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 -23.419 -24.647 3.149 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 -22.619 -24.497 2.649 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 -23.599 -25.577 3.049 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 -11.470 -23.381 9.657 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 -11.230 -24.201 9.237 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 -12.090 -23.631 10.347 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 12.024 2.907 -8.703 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 12.224 2.117 -9.193 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 11.624 2.587 -7.893 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 10.984 -17.061 20.557 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 10.244 -16.461 20.447 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 11.714 -16.481 20.777 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 -22.027 8.644 24.511 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 -21.247 8.464 23.981 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 -22.407 9.424 24.121 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 13.090 9.193 5.009 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 13.260 8.353 4.599 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 12.410 9.603 4.469 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 -22.314 0.084 12.765 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 -21.714 0.804 12.935 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 -21.914 -0.406 12.045 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -7.555 -1.375 20.255 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -6.885 -2.055 20.325 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -7.955 -1.355 21.125 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 9.723 -12.155 -16.815 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 9.493 -12.785 -16.135 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 9.343 -11.335 -16.525 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 20.472 10.714 -11.359 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 21.402 10.524 -11.359 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 20.312 11.124 -10.509 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 24.339 18.547 -8.227 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 23.389 18.487 -8.137 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 24.469 19.037 -9.037 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 16.573 4.443 23.239 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 15.723 3.993 23.219 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 17.133 3.873 23.769 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 -3.936 -24.679 9.593 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 -3.796 -25.289 8.873 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 -4.806 -24.899 9.933 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 19.244 12.972 -13.301 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 19.294 12.242 -12.691 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 18.304 13.132 -13.401 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 -23.795 5.144 3.631 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 -23.635 4.814 2.741 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 -23.455 4.454 4.201 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 20.511 -6.116 16.153 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 21.151 -5.656 15.603 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 20.441 -5.576 16.943 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 8.226 20.083 0.997 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 7.516 19.553 1.357 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 8.506 20.633 1.727 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 -11.485 -0.297 7.363 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 -11.545 0.303 6.613 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 -10.555 -0.507 7.433 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -19.983 1.401 -3.139 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 -20.813 1.011 -2.889 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 -19.403 0.651 -3.309 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 -7.733 -24.499 2.311 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -8.273 -24.929 2.971 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -8.143 -23.639 2.191 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.625 -17.574 1.367 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 21.975 -17.294 0.527 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 22.385 -17.574 1.957 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 18.601 -1.898 7.414 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 18.741 -0.988 7.675 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 18.581 -1.868 6.454 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -21.744 -12.646 9.227 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -21.244 -12.666 8.407 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -21.444 -13.406 9.717 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 0.362 8.094 0.243 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 -0.008 7.914 -0.617 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 1.312 7.994 0.123 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 11.313 -12.024 4.739 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 12.053 -12.514 5.089 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 11.613 -11.114 4.719 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 2.893 -10.961 20.437 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 2.153 -11.051 19.837 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 2.983 -10.021 20.577 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 13.782 2.421 -1.226 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 13.252 1.741 -1.646 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 14.002 2.051 -0.366 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 -18.087 -5.174 -21.033 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 -18.627 -5.234 -20.243 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 -17.187 -5.304 -20.723 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -10.424 -8.178 15.458 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -9.624 -8.688 15.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -10.314 -7.758 16.308 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 14.626 11.565 22.867 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 15.346 10.935 22.897 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 14.076 11.345 23.617 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 -22.127 -6.707 17.265 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 -21.867 -5.887 17.675 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 -21.307 -7.177 17.115 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -5.286 1.244 -9.467 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -4.916 2.004 -9.917 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -6.156 1.534 -9.187 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 2.597 23.103 -2.403 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 2.807 23.183 -1.473 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 2.577 22.153 -2.563 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 -15.593 15.345 5.609 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 -15.623 16.155 6.129 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 -16.213 14.765 6.049 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 -15.564 -12.430 9.471 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 -15.174 -13.260 9.191 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 -16.064 -12.650 10.251 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 -0.393 -2.218 7.683 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 -0.153 -3.058 8.073 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 -1.233 -2.378 7.253 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 -20.336 7.421 -18.469 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 -20.136 7.471 -17.529 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 -21.006 8.081 -18.609 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 10.054 -2.494 1.513 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 10.514 -3.134 2.063 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 9.834 -2.974 0.713 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -17.763 -22.457 -11.186 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -18.353 -21.777 -10.856 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -18.263 -23.277 -11.096 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 15.664 -4.943 -16.091 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 16.534 -5.303 -15.931 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 15.434 -4.503 -15.271 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 -11.245 19.613 -25.119 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 -10.925 19.193 -25.919 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 -10.755 19.193 -24.419 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 24.545 21.417 1.271 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 24.225 21.697 0.411 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 23.855 20.837 1.601 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 -4.985 -4.859 10.129 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 -4.915 -4.749 9.179 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 -5.195 -3.989 10.459 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.563 16.614 23.613 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 2.113 16.714 22.773 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.063 15.944 24.083 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 17.617 19.003 5.557 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 17.787 18.103 5.817 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 17.147 18.943 4.727 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 15.583 -20.903 4.711 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 16.333 -20.343 4.881 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 15.863 -21.483 4.001 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 14.397 22.627 -3.529 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 13.887 21.977 -4.019 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 14.067 23.467 -3.849 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -6.613 -1.937 -24.412 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -5.943 -1.497 -23.902 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -6.783 -1.347 -25.152 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 -8.401 6.483 2.875 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 -7.481 6.453 3.155 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 -8.891 6.593 3.695 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 19.826 0.483 8.457 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 19.926 -0.457 8.607 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 20.586 0.873 8.887 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 -12.466 16.867 -19.885 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 -12.136 16.337 -20.605 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 -13.416 16.797 -19.945 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 14.522 8.503 13.424 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 14.612 9.393 13.764 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 13.612 8.443 13.154 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 19.674 -14.565 -20.327 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 19.004 -15.235 -20.187 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 20.444 -15.045 -20.627 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 0.132 -2.279 3.898 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 -0.548 -2.029 3.268 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 0.472 -1.449 4.228 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 18.845 -3.366 -16.559 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 17.945 -3.686 -16.459 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 19.295 -3.656 -15.769 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -18.983 20.103 16.823 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -18.273 20.363 17.403 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -19.563 19.573 17.373 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 -23.377 13.655 15.597 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 -22.617 13.085 15.717 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 -23.247 14.365 16.217 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -4.186 9.077 -7.533 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -4.046 9.877 -7.023 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -3.656 8.407 -7.103 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -1.136 6.470 -24.423 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -1.636 7.280 -24.313 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -1.066 6.110 -23.543 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 1.307 5.930 -10.791 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 0.437 6.200 -10.481 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 1.297 4.980 -10.731 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -9.056 2.489 8.387 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -8.956 2.979 9.207 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -8.366 2.829 7.817 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 9.585 -16.210 0.695 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 8.635 -16.170 0.685 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 9.855 -15.340 1.015 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 -20.524 14.003 6.559 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 -20.134 14.873 6.469 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 -20.594 13.863 7.509 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 -16.168 10.481 4.373 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 -16.268 9.561 4.583 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 -16.978 10.891 4.693 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 4.285 -24.467 20.464 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 4.565 -24.047 19.654 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 3.705 -25.177 20.175 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 -5.538 16.040 16.458 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 -5.358 16.680 17.148 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 -5.618 16.560 15.658 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 15.873 -0.151 -1.149 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.083 -0.011 -0.619 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 16.383 -0.781 -0.649 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 9.994 5.552 14.521 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 9.454 5.842 15.261 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 9.684 4.662 14.331 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -0.117 19.193 -10.451 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -1.017 19.243 -10.101 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 0.403 19.723 -9.841 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 8.007 -13.149 10.545 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 8.867 -12.759 10.415 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 7.797 -12.969 11.465 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 5.071 -9.367 -23.289 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 5.861 -8.827 -23.289 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 4.571 -9.077 -24.049 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 7.284 20.763 -16.689 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 7.374 20.293 -17.509 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 7.784 21.563 -16.809 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 8.663 -14.276 3.427 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 9.573 -14.296 3.717 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 8.683 -13.756 2.627 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 8.260 11.142 17.113 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 8.850 11.892 16.983 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 8.370 10.622 16.313 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -13.414 18.360 6.078 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -13.654 17.600 5.558 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -13.944 18.280 6.878 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 20.196 -7.830 -15.722 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 20.166 -8.190 -14.832 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 21.126 -7.650 -15.872 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 -15.367 -25.407 -14.601 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 -15.067 -24.787 -13.941 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 -14.657 -25.447 -15.241 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 5.126 -21.397 -14.075 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 5.206 -21.797 -13.205 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 5.976 -20.987 -14.215 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 -24.147 -10.741 -24.066 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 -23.507 -10.141 -24.456 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 -24.997 -10.401 -24.336 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 9.922 -9.556 21.053 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 10.492 -10.326 21.083 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 10.082 -9.106 21.873 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 14.711 -19.388 23.203 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 15.661 -19.318 23.083 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 14.431 -19.998 22.523 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 -12.487 -12.298 -18.817 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 -12.507 -11.708 -18.067 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 -11.857 -12.968 -18.577 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 2.219 12.625 11.401 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 3.149 12.875 11.401 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 2.169 11.905 12.021 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 -13.356 -5.880 4.163 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 -13.986 -5.880 3.443 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 -12.556 -6.240 3.773 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 12.045 -24.833 19.765 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 11.775 -23.923 19.635 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 11.225 -25.323 19.845 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 20.166 13.966 -16.131 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 20.966 13.456 -16.251 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 19.536 13.346 -15.761 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 -22.105 -16.802 -17.809 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 -21.885 -17.532 -17.229 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 -21.855 -17.092 -18.679 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -16.176 2.524 -24.793 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -16.086 1.834 -24.143 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -15.756 3.284 -24.393 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 16.433 -12.862 12.827 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 16.193 -12.612 13.717 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 15.653 -13.302 12.487 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.017 -0.305 17.629 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.807 -1.155 17.229 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 3.427 0.305 17.189 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 4.703 24.782 -2.939 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 4.183 25.352 -3.509 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 4.073 24.172 -2.569 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 -16.175 -19.476 10.459 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 -16.965 -19.836 10.079 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 -16.445 -18.656 10.869 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -14.455 -20.217 22.600 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -14.005 -19.887 23.380 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -14.565 -21.147 22.760 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 22.832 13.661 18.055 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 22.312 14.241 17.495 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 22.582 12.781 17.765 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 3.290 1.754 11.608 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 3.600 2.614 11.318 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 2.470 1.934 12.058 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 17.374 20.307 -6.855 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 16.574 20.677 -7.225 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 17.934 20.127 -7.615 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 -6.055 -21.353 -2.324 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 -6.305 -21.373 -3.254 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 -5.345 -21.993 -2.244 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 13.552 12.832 -7.495 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 13.872 12.662 -8.375 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 13.282 13.742 -7.505 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -13.647 -24.089 23.729 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -14.387 -23.969 24.319 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -13.957 -24.709 23.069 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 12.057 -23.330 -21.446 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 12.197 -24.090 -22.006 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 12.517 -22.610 -21.876 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -2.076 -17.308 -16.819 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.556 -17.848 -17.439 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.196 -17.668 -16.809 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -22.486 1.844 -12.385 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -22.026 1.854 -11.545 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -23.066 2.604 -12.355 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 -13.260 0.575 1.803 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 -12.320 0.465 1.703 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 -13.360 1.395 2.293 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 18.687 8.024 -19.002 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 18.507 8.904 -19.332 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 18.557 8.094 -18.052 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 4.723 9.846 -20.167 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 4.663 9.076 -19.597 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 3.843 10.216 -20.177 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 15.009 22.527 8.347 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 15.149 21.587 8.227 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 15.739 22.937 7.897 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -22.226 -5.462 21.517 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -21.806 -4.602 21.517 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -22.356 -5.662 20.587 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 3.812 -7.287 4.455 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 4.422 -7.567 5.135 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 4.042 -6.377 4.265 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -0.308 17.575 -18.529 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -0.408 16.915 -17.839 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -1.158 17.995 -18.599 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 10.255 7.061 8.585 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 9.825 6.931 9.435 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 11.105 6.641 8.685 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -14.353 -5.328 -3.776 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -14.313 -4.448 -3.406 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -14.283 -5.198 -4.726 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 -10.703 5.436 18.343 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 -9.933 5.826 17.933 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 -11.443 5.896 17.933 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -1.445 5.425 -1.081 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -1.475 5.255 -2.031 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -1.395 6.385 -1.011 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 19.905 -8.684 -18.802 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 19.595 -7.944 -19.332 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 19.995 -8.324 -17.922 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 1.572 4.640 13.913 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 1.242 3.750 13.783 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 0.902 5.080 14.423 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 2.783 -12.095 1.523 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 3.493 -12.585 1.943 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 2.563 -11.415 2.153 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 -2.995 1.653 -20.898 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 -3.335 1.983 -20.068 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 -2.095 1.413 -20.708 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -15.605 -0.990 4.402 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -14.755 -0.930 3.972 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -15.745 -1.920 4.532 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 -14.798 -20.134 -2.712 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 -15.418 -20.604 -3.272 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 -15.028 -19.214 -2.832 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 8.535 -12.519 -24.796 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 7.745 -12.399 -24.286 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 9.225 -12.069 -24.306 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -12.938 25.165 18.230 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -11.988 25.265 18.150 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -13.238 24.985 17.340 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 24.472 19.176 -14.083 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 23.862 19.046 -13.353 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 24.382 18.376 -14.603 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 22.963 -9.598 -15.137 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 22.723 -9.578 -14.207 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 22.133 -9.688 -15.597 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 -24.316 10.794 -21.536 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 -23.986 10.704 -22.426 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 -24.896 10.044 -21.416 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 23.387 -24.598 -17.953 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 23.197 -24.758 -18.873 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 23.077 -25.378 -17.493 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 24.193 -2.936 -0.373 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 23.963 -3.256 -1.243 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 23.343 -2.786 0.057 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 23.934 25.143 24.804 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 24.134 25.403 25.704 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 23.924 24.183 24.824 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 10.896 -21.776 15.423 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 10.346 -21.006 15.573 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 11.026 -21.806 14.483 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 -0.164 -8.426 24.661 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 -0.324 -8.436 23.721 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 0.416 -9.176 24.821 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 -2.786 -13.124 -14.067 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 -2.456 -12.804 -13.227 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 -3.676 -12.774 -14.127 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 19.191 21.293 4.778 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 19.331 20.373 4.568 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 19.221 21.323 5.738 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 2.003 23.644 -21.411 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 2.313 24.094 -20.631 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 1.403 22.974 -21.091 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 21.124 7.934 5.544 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 20.794 8.824 5.514 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 21.004 7.664 6.454 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -22.225 11.407 -11.137 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -23.005 10.977 -11.507 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -21.615 11.457 -11.877 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 -21.139 25.592 6.763 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 -20.459 24.992 7.073 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 -21.859 25.022 6.493 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 18.442 -22.629 8.419 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 18.682 -21.779 8.039 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 19.062 -23.239 8.019 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 24.254 7.265 -6.629 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 24.724 6.545 -6.209 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 23.344 7.145 -6.389 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 14.306 -6.633 6.825 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 13.556 -6.163 7.195 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 14.416 -6.243 5.955 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.244 -20.767 -13.833 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.304 -19.977 -14.363 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.314 -20.467 -12.933 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 0.653 -6.443 21.853 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 1.323 -6.123 22.463 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 -0.167 -6.353 22.333 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 20.237 19.711 -0.207 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 20.697 20.391 -0.697 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 19.917 19.111 -0.877 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 20.392 3.984 -21.111 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 20.452 3.084 -20.781 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 19.482 4.224 -20.981 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.200 -19.146 -0.605 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 -0.200 -18.586 0.065 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.200 -18.616 -1.395 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 0.285 6.414 22.173 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 -0.615 6.254 21.893 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 0.805 6.364 21.373 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 5.243 -14.528 -21.505 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 5.543 -15.418 -21.685 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 5.363 -14.408 -20.565 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -14.677 -5.216 -6.529 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -14.117 -5.946 -6.799 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -15.477 -5.326 -7.049 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 17.052 1.969 -2.823 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 16.762 2.619 -2.183 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 16.642 1.149 -2.533 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -13.765 25.479 -4.991 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -13.905 24.789 -4.331 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -14.345 25.229 -5.711 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 -0.209 11.233 -13.089 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 0.051 10.483 -12.549 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 -0.029 10.943 -13.989 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -15.019 -0.192 -2.275 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -15.539 0.318 -2.895 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -14.599 0.458 -1.715 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -16.507 23.902 8.619 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -16.417 24.852 8.469 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -15.857 23.512 8.039 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -4.345 20.696 -21.449 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -4.715 20.806 -20.569 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -4.565 19.796 -21.679 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 -3.795 21.317 24.575 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 -4.675 20.937 24.635 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 -3.315 20.907 25.295 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 -16.359 -9.094 -4.792 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 -16.619 -8.174 -4.872 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 -17.029 -9.484 -4.242 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -2.153 19.754 -13.681 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -2.703 19.204 -13.131 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -1.863 20.464 -13.111 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.116 16.345 -0.572 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.246 16.025 -0.812 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.656 16.195 -1.352 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -16.346 -18.685 23.938 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -15.676 -19.065 23.368 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -15.926 -17.905 24.298 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 -13.017 -12.737 -15.207 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -12.277 -12.187 -15.477 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -12.667 -13.257 -14.477 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 -20.215 5.280 22.611 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 -19.715 4.600 23.061 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 -19.845 5.280 21.721 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 -12.986 21.945 24.269 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 -12.596 21.825 25.139 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 -12.286 22.325 23.739 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 -3.007 -3.537 -21.555 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 -2.977 -2.687 -21.995 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 -2.647 -4.147 -22.195 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -23.785 -22.418 -10.343 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -24.615 -22.018 -10.103 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -23.995 -23.348 -10.473 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 23.982 13.164 -4.656 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 23.292 13.304 -5.306 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 23.662 13.624 -3.876 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -0.171 -7.118 -23.259 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 0.039 -7.528 -24.089 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 0.669 -6.778 -22.939 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -11.346 20.007 -8.527 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -11.016 19.447 -7.827 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -11.216 20.907 -8.207 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 22.121 -13.985 -23.545 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 22.681 -13.905 -24.325 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 21.951 -13.085 -23.275 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -0.566 -17.680 -5.953 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -0.246 -17.180 -5.203 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -0.316 -17.160 -6.713 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -18.864 15.238 -10.828 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -18.494 14.518 -11.348 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -19.704 14.898 -10.508 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 8.517 -17.965 18.451 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 7.887 -18.475 18.951 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 8.337 -17.055 18.691 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -22.803 -22.536 -15.143 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -22.223 -21.786 -15.303 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -23.583 -22.156 -14.743 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 20.451 17.112 -17.281 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 20.091 16.482 -16.651 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 19.731 17.312 -17.871 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 -25.384 -14.267 -7.631 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 -25.334 -15.217 -7.551 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 -24.794 -14.047 -8.351 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 -5.417 20.601 -18.979 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 -5.237 20.981 -18.119 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 -6.337 20.821 -19.149 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 -18.079 11.821 -17.407 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 -18.599 11.561 -18.167 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 -18.389 12.711 -17.207 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 17.840 1.783 -7.085 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 17.950 1.233 -7.865 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 17.370 1.233 -6.465 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 -17.616 14.543 -16.993 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 -16.736 14.313 -16.683 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 -17.526 15.453 -17.283 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -24.793 17.481 -2.125 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -24.333 16.681 -2.355 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -25.423 17.621 -2.835 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 15.117 16.956 20.083 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 14.957 17.616 19.413 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 14.777 17.356 20.893 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.851 -5.808 4.933 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.021 -5.328 4.853 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 23.511 -5.128 5.033 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 14.693 22.603 -0.383 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 13.763 22.403 -0.353 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 15.063 22.173 0.387 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 -6.681 -0.989 -8.419 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 -5.871 -0.679 -8.019 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 -6.761 -0.489 -9.229 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 9.973 -21.387 -17.682 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 9.083 -21.627 -17.932 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 10.233 -20.727 -18.332 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -4.237 -0.965 -19.871 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -4.527 -1.675 -20.441 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -3.297 -0.895 -20.041 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -12.825 -0.938 -10.327 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -12.715 -1.578 -11.027 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -13.035 -1.448 -9.547 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 -7.866 -12.345 0.788 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 -8.756 -12.115 0.538 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 -7.356 -11.555 0.618 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -22.875 -19.876 9.363 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -23.805 -19.776 9.603 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -22.865 -20.596 8.733 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -18.601 17.564 8.996 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -18.881 18.424 8.676 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -17.831 17.354 8.456 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 20.146 24.273 17.765 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 19.976 24.333 16.825 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 20.416 25.153 18.015 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -10.466 13.364 -11.305 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.636 13.774 -11.545 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -10.446 12.504 -11.705 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 21.432 -25.015 12.305 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 21.182 -25.245 11.405 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 20.652 -24.615 12.675 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 22.645 10.971 19.951 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 22.435 11.711 20.521 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 21.805 10.691 19.591 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -12.276 0.727 -25.127 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -11.886 0.687 -24.247 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -11.546 0.937 -25.707 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 -13.357 -15.387 12.219 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 -13.877 -16.167 12.409 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 -13.057 -15.517 11.319 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -21.528 -4.366 0.839 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -22.158 -3.806 0.399 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -21.558 -5.196 0.349 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 16.952 19.375 12.287 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 16.342 18.715 12.617 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 17.512 19.585 13.027 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 13.634 -9.920 -11.582 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 13.094 -10.610 -11.202 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 14.524 -10.290 -11.592 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 -15.593 -12.246 1.823 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 -15.893 -11.476 2.293 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 -16.383 -12.776 1.693 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 18.694 24.786 -4.247 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 19.124 23.936 -4.327 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 17.834 24.586 -3.877 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -8.713 -5.497 25.313 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -7.963 -5.467 24.713 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -9.423 -5.107 24.813 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 -23.275 16.509 23.142 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 -23.275 16.629 22.192 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 -24.095 16.909 23.422 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -1.578 25.044 -8.581 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -1.098 24.874 -9.391 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -2.498 24.954 -8.831 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 17.652 19.657 20.173 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 17.002 19.747 20.873 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 18.432 19.327 20.623 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -3.657 0.564 0.711 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -2.857 0.854 0.261 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -4.347 1.124 0.371 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 18.281 19.035 -14.885 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 18.341 18.075 -14.895 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 19.161 19.315 -14.635 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 20.254 14.807 -24.613 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 21.004 15.307 -24.923 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 19.974 15.257 -23.823 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 0.293 -4.319 -2.099 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 0.343 -3.619 -2.749 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 0.853 -5.009 -2.449 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 9.296 19.041 -23.311 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 9.736 19.761 -22.851 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 9.206 18.361 -22.651 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 18.785 -22.376 -16.899 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 17.995 -22.006 -16.489 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 18.625 -22.276 -17.839 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 25.180 12.504 -18.711 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 25.810 12.344 -19.421 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 24.550 11.794 -18.791 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 13.873 19.133 -0.343 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 13.363 19.263 0.457 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 14.203 18.233 -0.273 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.276 -10.722 -7.807 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 2.586 -10.412 -8.397 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 3.676 -11.452 -8.277 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -7.807 16.807 -17.879 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -8.127 17.127 -17.039 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -7.257 17.517 -18.209 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 22.125 8.692 21.173 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 21.775 8.932 20.313 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 22.935 9.182 21.243 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 -14.046 -8.955 8.611 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 -14.006 -9.895 8.791 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 -13.976 -8.895 7.661 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 3.530 -16.093 13.465 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 3.310 -16.003 12.535 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 4.490 -16.023 13.495 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.148 -6.155 10.327 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -15.488 -6.595 9.787 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -16.648 -6.875 10.707 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 19.953 -23.299 21.233 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.493 -24.129 21.303 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 19.303 -22.639 21.483 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 21.486 11.104 -8.377 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 22.006 11.844 -8.067 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 22.096 10.584 -8.907 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 -23.324 11.582 -6.705 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 -23.584 11.972 -7.545 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 -22.634 12.162 -6.385 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 22.806 9.317 24.571 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 22.946 8.787 25.361 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 21.936 9.707 24.701 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -12.587 -24.578 11.559 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -13.057 -25.408 11.679 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -12.177 -24.408 12.399 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 13.795 -10.393 5.441 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 13.835 -10.353 6.401 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 14.705 -10.433 5.161 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 -21.816 20.772 -3.887 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 -21.296 21.142 -3.177 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 -22.566 20.362 -3.447 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 -19.064 9.603 2.627 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 -18.664 8.773 2.887 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 -19.444 9.943 3.437 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -4.400 -16.878 -8.516 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -4.600 -16.108 -9.056 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -4.250 -17.578 -9.146 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 13.687 -14.241 -1.581 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 13.037 -14.351 -0.891 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 13.797 -13.291 -1.661 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 -13.651 16.945 22.303 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 -13.731 15.995 22.193 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 -13.681 17.295 21.413 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.447 -22.893 16.915 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.467 -23.623 16.295 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 16.787 -23.153 17.565 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 12.916 18.270 7.663 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 12.746 18.940 7.003 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 13.876 18.190 7.683 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 18.763 -17.736 -18.551 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 18.963 -16.956 -18.031 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 18.473 -18.386 -17.901 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -12.488 -17.366 -22.403 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -11.978 -16.986 -21.683 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -12.118 -16.956 -23.183 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -6.627 21.894 -16.887 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -6.487 22.554 -16.197 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -6.637 22.404 -17.697 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -12.304 13.832 -13.481 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -13.184 14.172 -13.301 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -11.724 14.342 -12.921 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 -0.147 9.834 2.479 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 0.053 10.424 1.759 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 -0.777 9.214 2.109 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 22.159 15.380 2.333 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 21.669 16.150 2.043 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 22.839 15.720 2.903 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 18.864 -22.983 -3.247 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 19.654 -22.703 -2.777 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 19.144 -23.083 -4.157 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 2.599 9.580 8.549 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 2.469 9.980 7.689 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 2.269 8.690 8.449 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 0.441 7.314 -18.579 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 0.061 7.634 -19.389 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -0.289 6.934 -18.099 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -1.854 -6.826 2.079 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -1.484 -6.526 1.249 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -1.424 -7.666 2.239 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -2.413 -11.618 -5.415 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -1.583 -11.688 -5.875 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -2.403 -10.738 -5.035 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 17.641 17.222 -18.853 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 17.461 18.072 -19.253 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 18.091 16.722 -19.533 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 1.027 9.452 -16.033 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 1.107 8.842 -15.303 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 0.767 8.922 -16.773 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 4.854 -22.979 17.841 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 5.154 -22.089 17.631 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 4.064 -23.089 17.321 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 16.784 -21.186 -3.269 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 17.294 -20.476 -3.679 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 17.414 -21.906 -3.189 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -24.421 -24.170 0.209 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -24.291 -25.060 -0.121 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -23.551 -23.910 0.529 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -9.415 -0.478 -8.157 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.485 -0.688 -8.137 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 0.022 -7.357 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 14.905 -18.706 20.453 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 14.385 -17.946 20.723 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 15.805 -18.406 20.463 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 2.312 -14.226 6.771 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 2.842 -14.216 5.981 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 2.902 -13.926 7.461 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 24.555 -23.295 -12.643 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 23.935 -23.505 -11.943 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 24.515 -24.045 -13.233 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -21.313 8.416 9.497 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -21.573 7.526 9.277 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -22.123 8.926 9.487 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 19.963 -7.168 6.261 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 20.633 -6.558 6.591 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 20.243 -8.028 6.581 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 11.504 -18.957 -15.661 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 11.404 -18.717 -14.751 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 11.294 -19.897 -15.691 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 -24.585 -2.786 -18.735 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 -25.525 -2.896 -18.625 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 -24.195 -3.236 -17.995 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -7.237 -13.335 23.907 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -7.197 -12.895 23.067 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -6.987 -12.665 24.547 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -16.676 3.112 -6.921 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -16.756 3.412 -6.021 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 -17.026 2.222 -6.921 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 4.804 -2.027 0.415 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 5.054 -2.957 0.415 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 5.604 -1.567 0.165 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 10.774 -8.277 7.178 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 10.094 -8.357 6.508 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 10.584 -7.437 7.608 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 20.403 7.201 24.407 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 19.923 8.031 24.317 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 19.743 6.581 24.727 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -24.198 21.182 -13.067 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -23.358 20.732 -13.217 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -24.798 20.792 -13.707 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 -6.364 9.473 -24.216 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 -5.864 10.043 -24.796 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 -6.834 8.883 -24.796 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 -15.234 -7.417 -23.961 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 -15.814 -6.767 -24.341 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 -15.534 -7.507 -23.051 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -21.759 -18.185 6.417 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -21.189 -18.315 7.167 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -21.629 -18.965 5.877 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 9.680 -4.359 -6.677 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 10.140 -3.909 -5.967 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 10.230 -5.109 -6.877 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 -18.545 -2.317 -3.651 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 -18.175 -3.187 -3.501 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 -17.895 -1.877 -4.201 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -5.958 -3.138 -5.259 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -5.378 -2.558 -5.759 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -5.638 -4.018 -5.449 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -21.777 -15.654 -5.529 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -21.597 -15.714 -6.469 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -21.577 -14.754 -5.299 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 8.532 4.643 6.167 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 8.742 5.533 5.907 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 9.312 4.343 6.647 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 14.903 -18.214 6.473 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 14.193 -18.854 6.603 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 15.333 -18.484 5.663 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -12.323 6.977 -13.747 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -11.643 6.487 -13.277 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -13.133 6.717 -13.327 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 -10.648 -1.539 -17.471 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 -10.568 -2.499 -17.471 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 -10.878 -1.319 -16.571 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 15.522 24.906 23.718 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 15.932 24.586 22.918 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 14.782 25.436 23.408 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 4.065 7.076 -24.853 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 4.495 6.536 -25.513 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 3.455 7.626 -25.353 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 10.906 -23.897 -12.901 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 10.736 -23.067 -13.331 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 11.396 -24.407 -13.541 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 4.063 8.707 -16.961 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 3.733 9.187 -16.201 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 3.863 9.267 -17.711 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 -17.824 -14.911 14.471 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 -16.874 -14.831 14.551 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 -17.974 -15.841 14.301 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 -18.676 21.286 8.959 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 -18.706 21.816 9.749 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 -18.876 20.396 9.249 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 -14.304 16.356 14.899 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 -14.884 16.456 14.149 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -13.494 16.796 14.629 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 8.395 5.666 -3.569 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 7.665 6.216 -3.269 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.875 5.456 -2.769 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -8.025 10.125 -12.607 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -7.425 9.835 -11.917 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -8.105 11.065 -12.467 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 20.715 -1.275 -1.599 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 20.755 -2.115 -2.059 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 21.585 -0.895 -1.719 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 18.795 -10.821 8.129 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 19.755 -10.811 8.209 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 18.495 -10.181 8.769 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -2.840 16.375 16.401 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -3.700 16.775 16.541 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -2.450 16.325 17.271 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 -3.194 -15.379 -6.587 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 -3.904 -14.739 -6.527 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 -3.574 -16.109 -7.077 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 4.736 1.535 8.418 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 4.636 2.475 8.508 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 4.016 1.275 7.838 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 22.254 -8.478 3.653 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 21.314 -8.438 3.513 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 22.454 -7.678 4.153 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 -6.248 2.333 -3.907 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 -5.618 2.703 -3.297 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 -5.788 2.283 -4.737 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 3.745 9.032 19.371 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 4.065 9.512 20.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 4.495 8.992 18.771 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 15.043 -5.667 24.904 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 14.923 -6.257 24.165 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 15.703 -6.097 25.455 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 14.847 -13.482 -24.759 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 15.447 -13.192 -24.079 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 14.527 -14.342 -24.469 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 0.934 -21.179 -19.169 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 0.364 -21.219 -19.939 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 1.144 -22.089 -18.979 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 -17.755 -5.474 4.651 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 -17.225 -6.264 4.541 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 -18.395 -5.704 5.321 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 -18.063 14.808 20.885 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 -18.183 15.718 21.145 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 -18.883 14.568 20.455 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 0.525 -10.103 14.231 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 1.405 -10.063 14.601 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 0.545 -9.493 13.491 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 -22.849 15.317 5.405 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 -22.219 15.587 4.735 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 -22.299 14.977 6.115 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 21.703 -6.773 -13.291 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 22.023 -6.293 -14.051 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 21.173 -6.143 -12.811 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 8.696 -4.328 12.498 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 7.836 -4.648 12.228 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 8.506 -3.698 13.198 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -9.288 -0.828 -22.777 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -10.228 -0.758 -22.917 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -9.048 -1.678 -23.147 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 19.796 11.865 20.999 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 19.656 10.995 21.379 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 18.916 12.205 20.849 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 17.773 -8.697 -21.213 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 17.303 -8.357 -20.443 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 17.783 -9.647 -21.083 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 0.053 2.383 -10.803 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 -0.877 2.233 -11.003 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 0.473 2.433 -11.653 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.190 9.493 -4.419 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 24.120 9.673 -4.539 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 23.090 8.563 -4.639 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 17.593 2.016 5.631 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 16.693 2.306 5.471 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 17.613 1.106 5.331 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 -10.176 1.033 1.387 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 -10.056 0.903 2.327 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 -9.866 1.923 1.227 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 10.715 -8.286 -24.262 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 11.335 -8.956 -23.962 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 10.335 -8.656 -25.062 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 -21.475 -8.312 -19.653 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 -22.045 -8.292 -18.873 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 -21.785 -7.582 -20.193 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -17.625 -10.134 -22.293 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -17.945 -10.624 -21.543 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -18.295 -9.474 -22.453 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 0.046 -5.541 9.443 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 0.516 -5.151 8.713 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 0.226 -6.481 9.383 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 -10.285 -18.679 23.321 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 -10.445 -17.939 23.901 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 -10.885 -18.539 22.581 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 6.493 -20.192 2.728 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 7.313 -20.162 3.228 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 6.743 -19.932 1.838 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -25.215 19.364 13.045 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -24.685 19.744 12.345 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -25.695 20.114 13.415 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 0.672 20.917 -12.753 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 1.422 20.617 -13.263 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 0.572 20.257 -12.063 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -1.017 -15.540 -8.255 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -1.747 -15.520 -7.635 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -0.797 -14.610 -8.375 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 21.536 -21.610 -8.007 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 20.616 -21.850 -8.117 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 21.716 -21.810 -7.087 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 11.685 -8.955 4.368 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 11.685 -8.575 5.248 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 12.575 -9.285 4.248 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 11.237 -2.018 -12.185 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 10.967 -2.038 -11.275 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 12.067 -2.488 -12.205 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 -13.493 7.774 -20.045 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 -13.083 8.614 -19.815 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 -14.323 8.014 -20.455 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 10.263 0.047 -10.641 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 10.743 0.027 -11.471 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 9.343 -0.083 -10.891 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 -16.897 -15.130 -10.124 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 -17.487 -15.880 -10.054 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 -16.767 -14.850 -9.214 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 -20.494 18.132 -14.113 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 -21.094 18.872 -14.213 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 -21.034 17.422 -13.753 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 13.569 2.805 -19.095 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 13.689 3.075 -18.185 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 13.259 1.905 -19.045 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -15.776 -23.576 -25.101 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -15.766 -24.286 -24.461 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -15.936 -22.786 -24.581 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 10.900 -24.824 -6.473 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 10.190 -25.304 -6.913 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 11.700 -25.204 -6.843 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 -11.328 -10.906 -9.701 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 -11.578 -11.636 -10.271 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 -12.028 -10.866 -9.041 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -16.135 -16.396 10.917 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -16.075 -15.956 10.077 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -16.895 -15.996 11.347 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 15.199 -7.467 -18.463 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 14.779 -8.287 -18.213 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 15.009 -6.877 -17.723 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -18.451 -14.644 22.591 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -17.991 -15.484 22.531 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -17.781 -14.024 22.861 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -23.451 13.824 -12.695 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -24.231 13.294 -12.815 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -22.781 13.394 -13.225 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 14.883 -20.248 12.064 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 14.783 -19.708 12.854 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 15.793 -20.108 11.804 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 16.916 8.106 11.755 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 16.146 7.916 12.285 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 16.566 8.246 10.875 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 2.167 15.576 11.977 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 1.997 14.636 12.077 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.177 15.916 12.877 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 -3.755 -6.981 -17.977 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 -4.295 -6.191 -17.897 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 -3.915 -7.471 -17.177 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 18.511 -2.581 2.338 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 18.491 -2.381 1.398 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 17.811 -3.221 2.458 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -23.209 -16.494 8.827 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -23.069 -17.304 8.337 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -23.479 -16.794 9.697 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 24.522 -23.336 3.949 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 24.042 -23.926 3.359 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 25.442 -23.546 3.799 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 19.159 -8.256 9.553 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 19.719 -7.846 8.893 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 19.629 -9.056 9.803 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -6.475 -9.439 -5.772 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -6.325 -10.349 -5.492 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -7.395 -9.269 -5.532 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 16.763 -22.551 -6.257 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 16.913 -22.471 -5.317 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 15.813 -22.441 -6.357 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 12.626 -10.838 14.007 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 12.076 -10.298 13.437 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 12.396 -11.738 13.777 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -15.844 13.494 14.513 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -15.104 13.914 14.063 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -15.484 12.674 14.853 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 11.196 12.855 -5.752 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 11.556 12.975 -6.632 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 11.836 12.295 -5.312 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 8.243 -13.481 -3.963 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 8.633 -14.251 -4.373 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 8.393 -13.611 -3.023 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 9.295 11.995 -4.305 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 8.945 12.875 -4.175 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 9.995 12.105 -4.945 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 19.271 -14.774 16.479 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 18.891 -13.924 16.699 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 19.381 -14.744 15.529 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -3.623 -12.927 2.613 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -2.903 -13.537 2.413 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -4.103 -13.357 3.323 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 -21.113 7.532 18.771 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 -21.613 8.302 18.521 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 -21.643 6.792 18.491 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -22.583 9.476 -9.275 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -23.533 9.596 -9.365 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -22.203 10.216 -9.745 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 -9.674 -12.073 3.419 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 -9.264 -11.223 3.569 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 -9.894 -12.073 2.489 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 -4.854 -12.725 -20.806 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 -4.484 -13.545 -20.466 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 -4.484 -12.635 -21.686 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 18.637 6.056 22.301 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 18.097 6.756 22.651 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 18.017 5.376 22.041 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 17.074 13.253 -20.421 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 17.554 13.783 -19.781 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 17.544 13.383 -21.241 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -18.206 18.573 14.195 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -18.096 18.813 13.275 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -17.906 17.673 14.255 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 4.204 23.713 7.471 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 4.854 23.343 8.071 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 3.444 23.133 7.551 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 -25.034 14.232 -16.657 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 -25.244 13.962 -17.557 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 -25.284 13.492 -16.117 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 0.297 15.098 -21.393 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 -0.583 14.728 -21.333 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 0.467 15.168 -22.333 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 7.773 -9.143 -24.022 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 7.303 -9.933 -24.292 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 7.963 -8.683 -24.842 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -19.404 19.003 -23.979 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -19.264 18.323 -23.319 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -18.754 19.673 -23.779 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 13.963 -9.474 19.179 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 14.913 -9.584 19.059 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 13.573 -10.064 18.529 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -6.467 -8.679 9.205 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -5.847 -8.449 8.515 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -5.957 -8.629 10.015 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 -5.989 18.456 11.259 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 -6.239 19.216 11.779 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 -5.609 18.816 10.459 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 6.381 -16.635 23.679 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 7.161 -16.755 23.129 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 6.221 -17.495 24.069 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -1.207 -12.047 24.479 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -0.627 -11.287 24.419 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -0.627 -12.787 24.669 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 18.243 15.787 5.055 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 17.393 16.047 5.395 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 18.173 14.837 4.945 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 4.255 -13.949 -17.559 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 3.885 -13.279 -16.979 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 3.495 -14.329 -17.999 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 -24.575 -22.184 15.081 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 -24.055 -22.314 14.281 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 -24.805 -21.264 15.061 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.065 16.985 -6.845 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.925 17.195 -6.475 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -21.435 17.345 -6.215 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 20.072 17.804 4.629 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 19.252 18.284 4.739 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 19.822 16.884 4.729 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 -20.535 -23.615 -13.373 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 -20.905 -22.915 -13.913 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 -20.825 -24.425 -13.793 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -12.365 1.774 -10.657 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -12.555 2.174 -9.797 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -12.755 0.904 -10.607 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 -11.715 14.877 2.581 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 -11.135 14.167 2.291 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 -11.185 15.677 2.471 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 -17.899 -18.583 -2.207 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 -18.509 -17.993 -1.777 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 -17.759 -19.283 -1.577 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 7.087 24.572 -0.347 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 6.957 24.622 -1.297 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 6.577 23.812 -0.077 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -0.017 19.314 8.765 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -0.667 18.944 8.165 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -0.167 18.864 9.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -21.653 -1.436 18.411 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -22.093 -2.286 18.411 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -20.743 -1.646 18.201 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 -11.404 7.397 -9.251 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 -10.554 7.177 -9.641 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 -11.374 8.347 -9.111 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 22.025 -17.519 24.444 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 22.945 -17.239 24.424 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 22.075 -18.469 24.574 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -6.074 20.345 3.971 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -6.334 19.415 4.011 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 -5.134 20.335 4.101 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -20.267 -13.935 4.845 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.947 -14.675 4.315 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -20.847 -14.335 5.495 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 3.956 -1.485 -20.205 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 4.296 -0.635 -19.935 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 4.626 -1.835 -20.785 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 13.913 -11.386 -2.551 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 13.953 -10.476 -2.841 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 13.053 -11.696 -2.851 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -10.286 -17.228 -2.018 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -9.416 -16.838 -2.068 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -10.656 -17.108 -2.888 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 22.937 8.023 9.565 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 22.217 7.413 9.405 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 23.727 7.493 9.445 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 11.669 13.517 13.034 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 11.289 14.177 12.464 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 12.339 13.987 13.524 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -24.463 -1.743 3.287 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -23.733 -1.993 2.727 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -24.973 -1.133 2.757 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 -1.806 -24.407 13.929 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 -1.406 -24.357 14.789 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 -1.656 -25.307 13.639 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 21.105 -19.324 -18.385 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 21.075 -20.194 -17.975 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 21.935 -18.954 -18.095 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 14.894 -17.194 -6.239 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 14.054 -17.414 -6.649 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 14.664 -16.574 -5.549 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 -13.615 10.247 22.493 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 -13.865 9.667 21.773 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 -14.335 10.177 23.123 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 -17.027 6.145 -7.007 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 -16.857 6.915 -7.557 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 -16.177 5.935 -6.627 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 6.925 8.855 -17.067 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 7.025 8.735 -18.017 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 5.995 9.025 -16.937 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -23.143 0.062 6.017 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -23.153 0.312 6.937 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -23.963 -0.428 5.887 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 -18.554 23.783 -12.051 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 -17.874 23.733 -11.381 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 -19.224 24.353 -11.671 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -21.385 -9.815 -16.905 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -20.505 -9.775 -17.285 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -21.755 -10.635 -17.235 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -4.309 -18.827 -21.665 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -5.059 -19.327 -21.355 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -3.959 -19.327 -22.395 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 1.026 -8.408 -9.225 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 1.786 -7.838 -9.135 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 0.496 -7.998 -9.905 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 24.769 -16.406 -13.809 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 25.119 -16.386 -14.699 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 24.169 -17.156 -13.809 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -7.437 22.676 1.393 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -7.167 21.796 1.673 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -6.707 22.986 0.853 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 -18.476 11.143 -6.005 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 -18.026 11.823 -6.495 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 -19.046 10.713 -6.645 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 -19.729 -3.514 14.123 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 -19.269 -3.484 13.283 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 -20.609 -3.204 13.923 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 -18.073 25.132 -24.581 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 -18.953 25.042 -24.941 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 -18.163 24.952 -23.651 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 -21.844 -0.096 -15.441 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 -22.594 0.284 -14.981 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 -21.304 0.654 -15.681 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 -1.109 23.071 -15.203 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 -0.669 22.571 -14.523 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 -1.319 22.431 -15.883 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 -10.616 -24.424 16.343 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 -10.526 -25.364 16.173 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 -9.736 -24.144 16.613 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 14.842 4.769 0.308 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 15.582 5.359 0.148 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 14.922 4.089 -0.362 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -6.466 -7.875 -24.155 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -6.576 -8.825 -24.256 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -7.356 -7.525 -24.196 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 -7.038 -7.235 2.744 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 -6.108 -7.015 2.675 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 -7.488 -6.515 2.284 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 -20.365 -21.956 20.729 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 -20.105 -22.866 20.609 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 -21.165 -21.996 21.259 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 16.360 24.965 1.183 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 16.920 25.645 0.823 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 16.960 24.285 1.473 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.076 -22.395 -14.247 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 19.706 -22.125 -15.087 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.016 -22.495 -14.417 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 11.145 -1.775 -23.873 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 11.195 -2.085 -24.783 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 12.055 -1.595 -23.633 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 -4.126 -14.265 -9.833 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 -4.066 -14.095 -10.773 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 -3.766 -13.475 -9.423 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 6.752 0.374 17.278 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 7.142 0.254 18.148 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 5.842 0.094 17.388 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 0.306 -12.026 4.183 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -0.614 -12.036 4.433 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 0.756 -12.516 4.873 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 -20.614 10.987 -22.493 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 -20.554 10.687 -23.393 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 -21.314 10.447 -22.103 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 14.695 0.417 11.193 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 14.365 1.197 10.753 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 15.645 0.447 11.053 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 24.515 -13.606 13.903 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 23.945 -13.316 13.193 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 24.765 -14.496 13.663 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 0.115 6.036 2.569 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 0.745 5.346 2.349 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 0.245 6.706 1.899 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 -8.914 -11.346 -20.327 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 -9.264 -10.676 -20.917 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 -9.504 -11.336 -19.577 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 20.594 -3.930 4.675 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 21.264 -3.280 4.885 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 19.914 -3.430 4.225 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 0.795 -6.248 6.523 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 1.225 -5.758 5.823 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 -0.095 -6.398 6.203 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 -8.031 -16.224 -22.426 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 -7.831 -17.094 -22.766 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 -7.511 -16.154 -21.626 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 -13.690 3.110 17.863 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 -13.510 2.390 17.263 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 -12.840 3.500 18.043 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 8.823 18.762 -19.967 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 9.353 19.282 -20.567 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 9.273 17.912 -19.917 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 -8.194 20.463 -20.056 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 -9.134 20.633 -19.936 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 -8.134 19.503 -20.096 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 -1.816 17.737 4.889 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 -1.666 17.247 5.699 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 -1.266 17.287 4.239 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 19.762 -23.859 -11.586 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 19.372 -23.189 -12.146 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 19.332 -24.669 -11.846 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -21.479 -1.335 0.704 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -21.429 -2.025 1.364 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -21.349 -0.525 1.184 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 0.153 17.413 11.569 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 0.613 16.683 11.979 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -0.447 16.993 10.959 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 15.983 7.250 -18.454 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 16.743 7.730 -18.114 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 15.363 7.940 -18.704 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 -23.880 19.291 8.161 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 -24.470 20.011 7.921 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 -24.350 18.501 7.931 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -19.465 21.975 11.241 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -19.385 22.875 11.551 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -19.695 21.465 12.011 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -5.505 -20.345 -9.733 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -4.775 -19.915 -10.173 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -5.165 -20.585 -8.873 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -22.290 21.680 -21.222 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -22.640 21.790 -20.332 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -23.020 21.300 -21.712 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 -7.033 4.943 0.214 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 -7.213 5.833 -0.096 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 -7.893 4.613 0.494 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 19.681 -19.559 -24.785 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 20.021 -18.679 -24.935 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 18.911 -19.429 -24.225 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 -6.616 -17.515 2.809 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 -6.576 -16.555 2.809 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 -7.546 -17.725 2.689 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 9.344 0.526 18.375 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 8.924 1.326 18.065 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 10.274 0.646 18.175 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 10.802 20.951 12.875 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 11.592 20.551 12.505 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 11.092 21.801 13.185 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 11.894 -23.580 9.423 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 11.444 -22.880 8.963 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 11.354 -23.730 10.203 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 -21.084 6.062 5.591 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 -21.274 5.182 5.271 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 -21.924 6.522 5.551 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -2.191 18.932 -19.934 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -1.871 18.392 -20.654 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -2.471 19.742 -20.354 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 -2.794 -13.007 10.159 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 -1.944 -12.597 10.259 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 -3.144 -12.617 9.349 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 18.535 -20.007 14.023 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 18.665 -20.947 13.953 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 18.405 -19.717 13.123 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 -10.104 14.694 -7.487 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 -9.364 14.634 -6.867 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 -10.854 14.354 -6.997 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 -7.634 23.663 -18.584 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 -7.414 23.913 -19.484 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 -8.234 22.923 -18.684 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 -15.027 -3.776 -13.379 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 -14.227 -3.326 -13.099 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 -15.717 -3.126 -13.289 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 -16.708 9.824 -23.699 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 -16.348 10.564 -23.209 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 -17.348 10.214 -24.289 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 25.215 12.052 7.357 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 25.025 12.322 8.257 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 24.465 11.512 7.107 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 -19.123 12.385 -3.102 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 -19.713 11.925 -3.702 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 -18.323 11.855 -3.092 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -12.454 -23.020 -3.611 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.984 -23.670 -4.071 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.974 -23.520 -2.951 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 23.676 22.997 -6.211 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 24.306 22.267 -6.251 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 23.696 23.277 -5.301 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 -1.765 5.156 -16.105 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 -0.875 4.876 -16.265 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 -1.755 5.486 -15.205 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 22.435 -16.937 15.803 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 22.225 -16.617 14.923 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 23.355 -16.677 15.933 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 1.776 24.278 -24.649 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 1.666 24.208 -25.599 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 0.876 24.308 -24.309 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 -13.294 5.747 -8.016 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 -12.414 6.107 -7.986 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 -13.854 6.497 -8.236 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 4.752 -2.876 15.197 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 4.322 -2.626 14.377 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 5.622 -2.456 15.137 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -1.431 9.276 15.983 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -0.701 8.716 15.703 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -1.891 9.496 15.163 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -18.567 3.754 -4.487 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -19.037 2.934 -4.317 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -19.107 4.204 -5.147 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 -23.436 13.274 2.063 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 -23.866 12.524 2.453 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 -22.986 13.704 2.803 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 1.319 -3.113 17.745 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 1.029 -4.023 17.735 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 1.179 -2.803 16.845 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 12.943 -0.186 6.833 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 12.203 -0.756 6.613 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 13.543 -0.736 7.323 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 24.774 18.185 2.573 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 24.444 17.965 1.693 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 24.264 17.645 3.163 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 -20.478 -20.860 -15.334 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 -20.108 -20.940 -14.464 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 -19.828 -21.240 -15.914 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -12.236 -1.378 -15.342 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -12.606 -1.428 -16.222 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -12.636 -0.608 -14.952 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 -25.177 6.267 23.113 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 -24.467 5.817 23.563 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 -25.947 6.107 23.663 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 8.801 11.517 2.289 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 8.391 12.367 2.159 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 9.741 11.697 2.279 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 13.834 17.796 4.513 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 14.704 17.996 4.153 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 13.354 18.616 4.433 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 -12.484 12.555 22.889 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 -12.914 11.705 22.929 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 -13.044 13.075 22.309 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 24.979 -9.772 -5.487 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 24.459 -10.582 -5.517 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 24.369 -9.102 -5.207 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -11.236 -3.625 24.816 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.376 -4.345 24.196 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.066 -3.535 25.276 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 6.330 4.394 -13.585 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 6.810 4.814 -12.875 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 6.080 5.114 -14.165 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 2.135 5.755 16.711 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 1.215 5.745 16.971 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 2.145 5.305 15.861 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 -16.847 -7.618 1.649 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 -16.527 -6.718 1.759 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 -16.237 -8.018 1.039 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 13.697 -12.955 22.949 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 13.587 -12.675 23.859 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 14.207 -13.765 23.009 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 -7.716 5.352 -3.111 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 -7.176 4.692 -3.551 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 -7.086 6.012 -2.821 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 9.459 -21.552 24.455 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 8.509 -21.682 24.365 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 9.709 -22.152 25.165 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 20.790 -14.035 1.929 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 20.910 -13.545 1.109 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 20.440 -14.875 1.649 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 24.971 -24.101 19.117 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 25.581 -24.511 19.727 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 24.231 -24.701 19.087 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 -25.365 0.229 -4.213 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 -24.675 -0.341 -4.573 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 -25.715 0.689 -4.973 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 19.113 -22.548 4.481 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 18.763 -23.198 5.091 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 19.343 -21.798 5.031 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 -5.549 14.241 -15.449 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 -4.829 14.871 -15.379 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 -5.299 13.671 -16.179 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 24.335 1.592 19.553 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 24.335 2.302 18.913 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 24.165 2.032 20.393 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 8.333 14.591 1.945 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 9.013 15.261 2.004 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 7.673 14.861 2.574 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 11.887 -9.597 10.887 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 11.167 -8.977 10.737 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 12.607 -9.047 11.187 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 -13.973 8.374 -0.907 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 -14.503 7.664 -0.537 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 -13.793 8.954 -0.167 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 16.003 24.777 -2.022 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 15.923 24.217 -1.252 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 15.473 24.347 -2.692 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 -18.369 -23.319 -22.052 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 -17.629 -22.769 -22.332 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 -19.109 -22.989 -22.562 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 4.190 -0.533 3.131 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 4.580 0.247 2.721 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 4.540 -0.523 4.021 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 15.764 7.824 22.071 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 15.274 7.214 21.501 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 16.344 8.294 21.471 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 15.744 -17.944 13.775 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 16.634 -17.604 13.685 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 15.804 -18.594 14.475 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 20.554 10.495 6.691 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 19.864 9.995 7.131 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 20.364 11.415 6.901 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 9.803 -4.576 9.965 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 9.743 -5.196 10.695 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 10.673 -4.196 10.045 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 23.810 -1.658 9.638 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 23.200 -2.238 9.168 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 23.800 -1.988 10.538 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 -24.463 8.334 14.935 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 -24.473 9.204 15.345 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 -23.733 8.364 14.325 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 6.916 -21.440 -22.201 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 7.136 -21.890 -23.011 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 7.666 -21.600 -21.631 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 -15.085 -4.388 20.527 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 -15.275 -5.308 20.397 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 -15.375 -3.958 19.717 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 4.223 6.629 -13.659 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 5.043 6.849 -14.099 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 4.223 7.169 -12.869 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 18.465 15.717 17.855 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 17.995 16.547 17.765 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 19.385 15.947 17.745 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 -7.935 7.164 18.489 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 -7.255 6.724 17.979 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 -8.705 7.144 17.929 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 -18.357 -6.886 7.708 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 -17.907 -6.186 8.178 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 -19.177 -7.006 8.198 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 15.323 -23.247 -3.339 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 15.413 -23.877 -2.629 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 15.723 -22.447 -3.009 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -12.527 22.956 16.365 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -12.297 22.576 15.525 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -12.867 23.826 16.155 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -18.264 -21.307 10.443 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -17.944 -21.917 11.113 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 -18.814 -20.687 10.933 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 2.984 -18.014 1.979 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 2.084 -18.024 1.679 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 3.264 -18.924 1.979 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 2.769 -18.788 10.967 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 2.509 -19.708 10.857 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 3.729 -18.818 10.967 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -15.994 2.721 -3.171 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -16.514 2.821 -3.961 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -16.614 2.861 -2.451 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 12.449 -5.266 -10.567 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 12.059 -6.116 -10.377 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 11.999 -4.656 -9.987 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 13.634 -9.547 24.815 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 13.634 -9.467 25.765 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 14.214 -8.847 24.515 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 3.743 14.305 -0.927 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 3.503 15.225 -0.897 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.433 13.995 -1.767 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -8.930 22.220 -2.629 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -9.720 22.730 -2.479 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -8.310 22.530 -1.969 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -0.904 -25.084 10.529 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -1.664 -25.524 10.899 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -1.104 -24.144 10.609 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 -13.713 -15.444 5.161 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 -13.953 -16.234 4.671 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 -13.733 -14.744 4.501 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -22.124 -0.416 -2.407 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -22.304 -0.096 -1.517 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -21.924 -1.336 -2.297 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 -13.328 -21.937 -23.559 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 -13.088 -21.597 -24.419 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 -12.908 -21.347 -22.939 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -24.695 -18.318 -1.772 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -24.185 -19.028 -2.152 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -24.065 -17.618 -1.632 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 17.964 5.275 -20.043 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 18.344 5.975 -19.523 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 17.154 5.045 -19.583 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 21.129 10.803 -20.125 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 20.969 9.983 -20.575 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 20.319 11.293 -20.215 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -1.527 15.948 10.075 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -2.417 15.838 9.755 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -1.257 15.078 10.355 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 -0.627 -8.432 16.601 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 -0.047 -8.662 15.881 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 -0.117 -7.802 17.121 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -12.309 4.363 -3.753 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -12.209 3.473 -4.083 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -11.599 4.853 -4.163 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 -23.445 23.903 -12.376 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 -24.065 23.383 -12.876 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 -22.855 24.273 -13.026 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 -6.384 -16.987 9.264 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 -6.964 -17.637 9.654 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 -5.824 -16.697 9.984 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 3.514 -23.157 8.175 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.634 -22.767 8.115 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 3.744 -23.387 7.275 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 -22.436 -15.535 15.485 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 -21.606 -15.565 15.965 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 -22.566 -14.605 15.285 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 -5.126 -22.860 18.133 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 -5.686 -23.630 18.263 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 -4.486 -22.910 18.853 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -15.186 24.162 5.633 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -15.696 24.872 5.243 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -14.466 24.592 6.083 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -17.817 -16.126 -0.149 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -17.177 -16.716 0.261 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -17.367 -15.786 -0.919 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -17.417 2.215 -1.099 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -18.147 1.865 -1.599 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -17.337 1.625 -0.349 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 -13.963 -9.838 -8.566 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 -14.613 -10.218 -7.986 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 -14.263 -10.078 -9.446 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 -18.884 9.256 -3.712 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 -18.194 8.586 -3.742 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 -18.644 9.876 -4.402 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 5.441 24.543 -21.633 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 6.361 24.833 -21.673 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 5.381 23.853 -22.293 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 22.783 8.485 -16.187 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 21.853 8.275 -16.107 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 23.073 8.605 -15.277 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 -23.771 19.490 0.827 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 -23.461 19.160 1.667 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 -24.701 19.680 0.967 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -3.957 7.744 -20.723 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -3.887 7.434 -21.623 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -4.687 8.364 -20.743 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 15.309 -6.849 -21.077 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 14.409 -7.089 -21.287 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 15.399 -7.029 -20.147 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 -6.003 -10.856 -1.103 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 -5.173 -11.166 -0.743 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 -6.003 -11.186 -2.003 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 17.366 -11.157 2.083 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 17.106 -11.097 3.003 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 18.026 -11.847 2.063 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 2.392 -23.318 -20.413 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 2.652 -23.428 -21.323 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 3.062 -22.738 -20.033 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 -23.933 16.045 10.333 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 -24.843 16.075 10.043 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 -23.583 15.235 9.963 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 24.139 -2.429 -21.497 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 23.369 -1.989 -21.137 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 24.639 -1.739 -21.917 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 24.123 -7.147 -0.627 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 23.363 -7.657 -0.887 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 23.863 -6.717 0.193 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 -1.196 5.336 -4.442 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 -1.446 4.636 -5.042 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 -1.646 6.116 -4.772 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -18.293 17.157 0.600 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -17.793 16.347 0.510 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -17.673 17.797 0.940 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -7.497 23.967 -8.201 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -8.197 24.227 -8.801 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -7.507 24.647 -7.521 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -3.933 -12.366 23.713 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -4.023 -12.856 22.893 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -3.213 -11.756 23.553 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -8.483 9.886 6.701 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -7.553 10.076 6.771 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -8.583 9.036 7.151 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 13.325 -2.267 16.478 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 13.685 -3.127 16.708 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 14.065 -1.787 16.108 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -19.919 -9.005 -21.949 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -20.419 -8.515 -21.299 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -20.499 -9.715 -22.219 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -9.865 -14.259 -6.113 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -9.285 -13.899 -5.453 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -9.615 -13.829 -6.933 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -12.093 17.874 14.194 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -11.743 17.744 13.304 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -11.473 18.484 14.595 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 12.874 -17.535 11.797 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 12.504 -18.145 12.437 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 13.674 -17.955 11.487 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 -24.630 17.085 6.637 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 -23.770 16.735 6.417 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 -24.750 17.825 6.037 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 -3.810 4.462 -7.015 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 -3.890 5.282 -7.495 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 -3.120 3.982 -7.485 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.796 -4.177 3.619 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 17.166 -4.717 4.319 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.056 -3.727 4.029 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -9.966 5.804 -6.849 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -9.436 5.524 -7.599 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -10.076 6.744 -6.969 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 -18.005 7.042 -14.269 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 -18.695 6.862 -14.909 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 -17.575 6.192 -14.139 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -3.367 15.661 -24.829 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -3.297 14.781 -24.439 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -4.297 15.861 -24.799 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 7.255 -2.296 14.079 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 7.525 -1.906 13.249 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 7.645 -1.726 14.739 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -4.449 -12.634 7.424 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -4.959 -12.204 6.735 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -3.549 -12.624 7.084 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 5.205 12.626 1.253 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 4.835 11.766 1.453 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 4.715 12.916 0.483 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 8.333 8.315 1.348 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 8.573 9.155 1.758 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 9.003 7.705 1.658 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -3.715 0.865 23.911 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -4.475 0.295 24.051 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -2.965 0.265 23.871 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -6.676 -15.485 -4.052 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -7.216 -16.255 -4.272 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -7.096 -15.115 -3.272 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 2.330 20.654 -3.316 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 1.550 21.054 -3.706 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 2.000 20.134 -2.586 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 23.592 17.327 -20.386 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 24.312 16.787 -20.046 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 23.532 18.057 -19.776 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 18.954 -17.954 -2.113 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 19.384 -18.794 -2.263 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 18.254 -17.924 -2.763 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 22.435 -10.954 22.584 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 22.495 -11.034 23.534 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 21.615 -10.494 22.434 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 15.282 4.663 -20.051 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 14.622 4.123 -19.641 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 15.092 5.553 -19.751 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 11.281 -23.167 -0.085 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 11.571 -23.727 -0.805 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 12.041 -23.087 0.485 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 22.071 -1.483 18.595 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 22.391 -1.943 17.825 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 22.721 -1.683 19.275 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 13.726 3.913 11.724 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 14.336 3.543 11.084 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 13.106 3.213 11.894 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 6.989 -3.434 2.823 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 7.699 -4.024 3.083 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 6.629 -3.824 2.023 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 -20.705 -3.986 3.561 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 -21.045 -4.116 2.671 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 -19.755 -4.006 3.461 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 17.126 24.737 21.665 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 16.326 25.007 21.215 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 17.616 24.247 21.005 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 13.736 22.748 2.451 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.666 22.818 2.651 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.436 23.648 2.381 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -14.178 -25.098 8.348 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -13.318 -24.918 8.728 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -14.798 -24.778 8.998 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 10.544 15.043 10.701 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 11.304 15.633 10.671 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 9.804 15.613 10.891 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 3.271 11.337 -2.105 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 4.051 11.057 -1.625 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 2.821 10.517 -2.325 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 1.481 5.020 9.701 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 0.711 4.600 9.311 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 1.511 4.680 10.601 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -14.531 -11.156 6.161 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -15.311 -10.846 5.691 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -13.821 -11.056 5.521 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 23.443 -17.255 -8.672 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 23.103 -16.395 -8.942 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 23.443 -17.775 -9.472 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -7.084 10.255 -6.762 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -6.394 10.005 -7.382 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -7.044 9.595 -6.082 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 20.013 -15.380 -0.576 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 20.443 -15.630 -1.396 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 19.203 -14.950 -0.846 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 22.003 20.205 -23.507 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 21.403 19.935 -22.807 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 22.173 21.125 -23.337 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -14.025 -2.978 11.031 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -14.345 -2.448 11.761 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -14.785 -3.078 10.451 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 -13.136 13.560 -8.805 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 -13.876 14.090 -8.495 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 -12.366 14.070 -8.565 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 20.663 17.913 23.809 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 19.853 18.413 23.919 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 20.813 17.513 24.669 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 22.522 5.477 23.337 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 22.522 5.927 24.177 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 22.772 4.577 23.537 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -7.004 14.704 -8.899 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.464 15.374 -8.489 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -7.744 14.584 -8.299 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 23.222 3.134 -16.881 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 22.572 2.934 -16.211 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 23.402 4.074 -16.771 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 8.541 22.947 -2.919 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 8.531 22.067 -2.539 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 9.451 23.217 -2.889 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 0.775 -7.728 -12.133 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 0.825 -7.618 -13.083 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 0.315 -8.558 -12.003 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 18.779 13.406 -4.587 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 18.519 12.526 -4.847 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 18.179 13.636 -3.877 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.632 13.364 17.584 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 15.412 13.674 18.044 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 14.742 13.654 16.684 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 9.261 22.236 -0.472 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 8.911 21.906 0.358 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 8.801 23.066 -0.612 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 -17.106 22.113 -2.095 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 -17.846 21.903 -2.665 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 -17.256 21.583 -1.315 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -20.391 12.392 13.849 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -20.701 11.512 14.039 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -19.741 12.272 13.159 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 0.977 -25.186 14.368 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 0.857 -24.886 13.468 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 1.917 -25.336 14.448 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 12.684 -14.308 10.301 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 13.064 -14.598 9.471 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 12.004 -13.688 10.041 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 -0.754 22.115 9.571 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 -0.774 21.285 10.051 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 -0.904 22.785 10.251 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 21.142 -21.006 -2.975 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 20.732 -21.286 -2.165 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 21.752 -20.316 -2.715 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 -21.136 20.345 -11.043 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 -21.586 19.535 -10.823 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 -21.826 21.015 -10.993 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -20.095 9.444 5.283 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -20.695 9.894 5.893 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -20.395 8.534 5.283 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -18.115 6.735 9.821 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -19.035 6.705 10.051 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -17.665 6.975 10.641 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 12.003 4.407 0.043 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 12.373 3.907 -0.687 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 12.763 4.827 0.463 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 25.312 10.679 16.768 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 24.592 11.019 16.238 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 24.922 10.539 17.638 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 11.685 -8.704 -2.489 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 12.445 -8.164 -2.299 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 11.565 -9.254 -1.719 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 17.043 1.027 16.852 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 16.793 0.127 17.052 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 17.373 0.987 15.952 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -10.178 -21.583 -19.199 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -10.408 -22.273 -19.829 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -10.988 -21.393 -18.739 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 -11.755 -9.885 -22.243 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 -11.975 -9.295 -22.963 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 -12.545 -10.415 -22.123 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 16.199 18.478 -21.955 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 15.249 18.488 -22.105 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 16.459 17.568 -22.125 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 -10.187 21.343 -23.011 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 -10.497 20.453 -22.841 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 -9.637 21.263 -23.791 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 -4.435 7.415 -14.765 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 -5.275 7.745 -15.086 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 -4.135 6.825 -15.456 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 12.449 22.912 6.773 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 12.339 23.522 6.053 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 13.399 22.872 6.923 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 -10.325 16.627 9.251 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 -10.875 15.847 9.181 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 -10.825 17.217 9.811 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 17.827 10.798 13.073 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 18.177 11.558 13.543 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 18.527 10.148 13.113 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 -24.258 17.402 20.715 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 -24.268 17.112 19.815 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 -24.538 18.322 20.675 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -10.671 -20.234 -3.033 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -11.191 -19.434 -3.063 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -11.071 -20.814 -3.683 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.112 24.267 -10.588 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 6.442 23.627 -10.818 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 7.692 23.817 -9.988 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 -19.051 -20.408 7.715 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 -19.131 -20.988 8.485 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 -19.791 -20.648 7.155 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 23.076 -19.393 -21.247 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 22.256 -19.863 -21.107 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 23.316 -19.583 -22.157 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 -23.925 2.373 4.515 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 -23.295 1.783 4.925 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 -24.245 1.893 3.745 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 8.682 13.076 -0.213 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 9.592 13.356 -0.273 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 8.302 13.616 0.477 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 22.805 -1.088 -11.459 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 22.875 -0.598 -12.279 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 21.955 -0.818 -11.099 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 13.306 -15.554 15.274 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 13.236 -16.244 15.944 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 14.216 -15.594 14.984 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -0.965 18.773 14.905 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -0.785 18.503 15.805 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -0.945 19.733 14.935 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 8.506 14.054 13.195 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 8.046 14.174 14.014 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 8.736 14.944 12.915 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 7.785 14.215 8.107 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 7.925 13.285 7.917 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 8.515 14.655 7.667 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 -3.284 3.075 -18.499 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 -3.324 2.535 -17.709 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 -4.204 3.245 -18.719 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 2.776 -2.206 9.774 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 1.946 -2.166 10.234 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 2.846 -3.106 9.474 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 -9.188 24.105 -0.533 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 -8.468 23.935 0.077 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 -9.968 24.145 0.017 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 -3.963 17.965 18.933 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 -3.843 17.955 19.883 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 -4.863 18.275 18.813 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 23.584 -9.355 -25.099 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 23.974 -9.115 -24.259 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 23.084 -8.575 -25.359 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 19.214 3.292 -17.049 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 19.884 3.142 -16.389 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 18.894 4.172 -16.869 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 21.917 4.612 6.867 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 21.087 5.082 6.967 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 22.117 4.292 7.737 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 24.541 -17.467 -11.547 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 24.671 -18.377 -11.827 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 24.661 -16.957 -12.347 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 22.616 0.506 -2.539 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 23.316 0.556 -3.189 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 22.796 1.226 -1.929 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -10.555 21.872 1.441 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -10.835 22.142 2.321 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -9.705 21.442 1.591 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 16.144 16.731 6.408 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 16.084 16.991 7.318 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 15.414 16.121 6.278 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -2.304 -18.956 6.215 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -2.634 -19.396 7.005 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -1.764 -18.236 6.555 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -20.388 13.897 -22.629 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -20.898 13.967 -23.439 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -19.868 13.097 -22.739 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 17.454 18.007 -5.341 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 18.394 18.117 -5.491 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 17.044 18.687 -5.891 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 21.693 17.471 7.601 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 21.843 16.721 7.031 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 20.753 17.441 7.801 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 1.297 -16.914 -20.625 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 0.797 -17.574 -20.155 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 1.657 -17.374 -21.385 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 12.164 5.865 -10.915 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 12.804 6.415 -10.465 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 12.684 5.345 -11.535 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 22.316 -9.563 -5.233 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 22.296 -10.233 -4.553 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 22.016 -10.023 -6.023 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 9.977 7.144 -8.942 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 10.587 7.854 -9.132 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 9.737 6.794 -9.802 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -10.543 -5.692 -17.095 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -10.833 -5.672 -16.185 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -9.963 -4.932 -17.175 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 12.470 15.544 -7.926 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 13.010 16.284 -7.636 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 11.610 15.694 -7.536 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 1.457 -5.429 11.983 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 0.777 -5.689 11.363 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 1.127 -5.709 12.833 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 22.696 -17.337 19.433 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 22.596 -18.157 18.953 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 21.836 -16.917 19.383 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 4.344 1.892 22.902 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 3.454 1.922 22.552 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 4.834 2.522 22.382 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 17.844 -6.445 -15.525 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 18.584 -6.905 -15.915 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 17.444 -7.075 -14.935 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 8.535 -1.848 -7.439 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 8.755 -2.778 -7.379 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 7.745 -1.758 -6.899 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -18.255 1.332 -10.166 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -17.335 1.172 -9.966 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -18.735 0.732 -9.586 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 19.073 10.314 23.352 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 18.643 9.864 24.072 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 18.863 11.244 23.482 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 20.051 -9.747 20.484 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 20.941 -9.477 20.724 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 19.981 -9.527 19.554 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 21.446 -9.600 -12.801 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 22.006 -9.750 -12.041 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 21.066 -8.740 -12.651 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 -15.164 -18.123 -13.251 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 -15.494 -18.933 -13.651 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 -14.254 -18.333 -13.041 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -24.263 6.431 -0.720 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -25.053 6.961 -0.820 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -23.633 6.831 -1.310 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 -7.647 -9.694 -13.873 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 -7.927 -10.544 -14.193 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 -8.437 -9.304 -13.493 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 20.075 22.685 -7.805 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 19.815 23.585 -7.615 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 19.895 22.575 -8.745 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 -8.538 -2.668 -5.612 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 -7.598 -2.818 -5.622 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 -8.858 -3.198 -4.882 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 14.955 -15.181 18.641 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 15.065 -14.421 18.071 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 15.245 -15.931 18.111 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -12.670 -24.115 -8.147 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -12.390 -24.225 -7.237 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -13.530 -24.525 -8.177 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -22.484 16.946 -24.715 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -22.914 17.796 -24.725 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -22.784 16.506 -25.515 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 21.870 15.042 6.495 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 22.300 15.652 5.885 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 21.330 14.492 5.935 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 23.272 10.002 7.261 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 23.092 9.462 8.031 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 22.432 10.042 6.791 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 -15.626 3.597 13.823 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 -15.026 2.857 13.753 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 -15.336 4.207 13.143 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -21.137 24.404 -14.429 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -20.317 24.374 -13.939 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -20.937 23.974 -15.259 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 -8.007 1.059 -5.847 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 -8.047 0.119 -5.637 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 -7.687 1.469 -5.047 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 5.124 4.713 -0.067 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 5.874 4.243 -0.437 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 5.514 5.283 0.603 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 22.906 -14.165 22.559 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 23.416 -14.665 21.929 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 22.016 -14.515 22.479 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -7.879 -20.168 12.910 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -7.619 -20.638 12.130 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -8.559 -19.558 12.620 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 17.269 -22.345 -22.141 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 16.329 -22.265 -22.321 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 17.679 -21.685 -22.701 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 14.644 -23.425 -23.373 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 14.174 -22.605 -23.503 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 15.244 -23.485 -24.113 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -4.678 -3.968 -24.035 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -5.368 -3.818 -23.395 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.908 -3.508 -23.695 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 22.152 -22.256 -5.335 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 21.712 -21.876 -4.585 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 21.662 -23.056 -5.535 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 -23.136 -1.839 -7.943 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 -23.996 -1.859 -8.353 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 -23.306 -1.599 -7.033 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 7.265 22.813 -8.143 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 7.435 23.583 -7.603 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 6.555 22.353 -7.693 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 10.460 9.983 14.639 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 9.630 10.303 14.299 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 10.990 10.773 14.759 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 -19.468 25.098 -5.423 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 -20.168 24.448 -5.383 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 -19.618 25.658 -4.663 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 9.053 22.833 -17.532 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 9.593 23.583 -17.802 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 8.773 22.433 -18.352 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 6.112 -22.896 3.707 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 6.282 -22.046 4.117 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 6.512 -22.836 2.847 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 10.081 21.845 -8.122 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 10.431 22.445 -7.452 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 9.191 22.165 -8.292 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 10.344 -7.337 -6.922 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 9.834 -7.887 -6.332 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 10.754 -7.947 -7.522 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -8.075 8.522 -14.893 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -8.935 8.382 -15.303 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -8.265 9.032 -14.113 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 16.465 10.184 1.937 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 15.995 9.814 2.687 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 17.325 9.764 1.957 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 16.140 4.097 -14.045 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 16.740 4.817 -14.215 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 16.160 3.567 -14.845 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 -23.177 13.141 -3.147 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 -23.827 12.441 -3.227 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 -22.437 12.841 -3.657 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 23.367 17.886 -17.583 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 22.577 17.386 -17.763 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 23.397 17.956 -16.633 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 17.262 -16.525 20.463 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 17.332 -15.575 20.553 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 17.952 -16.765 19.843 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 1.162 -15.434 -13.923 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 0.392 -15.954 -13.703 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 0.812 -14.684 -14.413 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 -7.313 -0.253 8.293 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 -7.003 0.187 7.493 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 -7.653 -1.093 7.993 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -1.135 21.962 0.944 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -1.205 22.902 1.114 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -0.855 21.592 1.784 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 20.660 -5.023 -24.186 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 20.300 -5.823 -23.806 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 21.520 -4.923 -23.766 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 -0.948 12.704 -22.083 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 -1.328 13.174 -21.353 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 -1.208 11.784 -21.943 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 2.894 24.193 -18.403 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 2.834 24.433 -17.483 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 3.704 23.683 -18.463 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 -13.497 0.832 -14.982 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 -14.157 0.462 -15.572 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 -13.997 1.422 -14.412 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 -19.043 3.784 -24.623 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 -18.113 3.664 -24.423 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 -19.303 2.984 -25.073 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 -22.945 -2.340 -15.906 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 -23.275 -2.630 -15.056 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 -22.425 -1.560 -15.716 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 3.544 12.671 22.962 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 2.934 13.391 23.112 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 4.334 13.101 22.632 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 10.742 -16.397 -16.696 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 11.042 -17.167 -16.216 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 9.802 -16.547 -16.826 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 -14.417 12.131 -5.517 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 -15.207 11.961 -6.037 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 -14.197 11.281 -5.137 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 -14.755 5.181 -13.406 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 -14.075 4.841 -13.986 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 -14.295 5.411 -12.596 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 16.797 -11.223 -9.956 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 17.087 -10.853 -9.125 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 17.297 -10.753 -10.626 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 20.357 -11.771 3.515 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 20.487 -12.641 3.125 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 21.017 -11.221 3.085 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 -5.124 23.637 -15.507 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 -4.854 23.537 -16.417 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 -4.634 22.957 -15.037 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 14.751 -15.647 -3.653 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 14.251 -15.187 -2.983 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 15.601 -15.207 -3.653 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 25.105 -21.465 23.101 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 24.145 -21.455 23.071 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 25.355 -20.545 23.111 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 0.716 -22.184 -6.577 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 -0.134 -22.004 -6.967 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 0.516 -22.424 -5.667 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 7.107 9.831 22.221 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 6.317 9.761 21.691 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 7.077 9.061 22.801 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 24.241 -9.564 -19.655 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 24.481 -10.044 -18.875 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 25.011 -9.044 -19.875 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 3.142 20.335 -18.839 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 3.192 19.725 -19.579 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 3.992 20.775 -18.829 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -16.564 -3.547 9.979 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.914 -3.667 9.099 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -16.394 -4.427 10.299 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -11.558 4.006 10.661 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -12.448 4.376 10.681 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -11.528 3.496 9.861 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 1.304 14.343 24.429 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 0.434 13.953 24.299 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 1.684 13.853 25.159 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 7.333 17.731 -8.833 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 8.153 17.271 -8.983 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 6.813 17.571 -9.623 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 10.953 -11.496 1.610 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 10.263 -10.836 1.690 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 11.093 -11.796 2.500 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 7.796 -17.578 -2.301 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 7.636 -17.088 -3.111 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 8.266 -18.368 -2.591 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 24.426 -11.456 7.669 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 23.886 -10.946 7.059 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 25.216 -10.936 7.779 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 14.031 11.984 8.269 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 13.851 11.604 7.409 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 13.221 12.434 8.519 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 19.623 25.083 9.967 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 19.493 24.143 9.927 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 18.803 25.463 9.637 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.004 -24.426 -3.683 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 11.294 -25.246 -3.273 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 11.154 -24.566 -4.623 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 -12.047 -20.888 7.949 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 -12.147 -21.628 7.359 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 -11.427 -21.188 8.609 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 -2.361 16.205 23.231 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 -2.581 16.135 24.161 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 -1.931 15.375 23.021 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 10.234 -24.158 -16.495 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 10.854 -23.438 -16.605 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 9.944 -24.368 -17.385 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 -18.914 -12.154 -9.311 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 -18.484 -11.874 -8.501 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 -18.294 -12.764 -9.711 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 23.402 2.415 4.667 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 23.252 3.065 5.347 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 24.022 2.825 4.067 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 14.356 12.422 -21.636 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 14.926 13.182 -21.526 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 13.476 12.772 -21.616 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 22.301 -0.995 -19.957 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 22.581 -0.465 -19.207 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 21.441 -0.635 -20.197 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 -11.244 10.212 18.931 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 -10.384 9.972 19.291 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 -11.304 11.152 19.091 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -15.679 -19.259 -22.517 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -14.819 -18.849 -22.397 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -16.299 -18.609 -22.197 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 3.231 9.106 -12.848 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 3.981 9.456 -12.388 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 3.351 9.396 -13.758 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 8.130 1.716 -3.513 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 8.520 0.856 -3.653 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 8.830 2.336 -3.703 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 -19.680 21.146 5.664 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 -19.330 22.026 5.494 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 -18.960 20.556 5.464 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 18.842 16.141 -15.343 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 18.872 15.201 -15.483 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 18.762 16.241 -14.393 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -9.833 -22.256 -16.613 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -9.953 -21.896 -17.493 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -9.933 -21.506 -16.023 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 -16.133 21.993 -5.267 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 -16.793 22.493 -5.737 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 -16.623 21.303 -4.807 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 -6.903 -21.640 -17.171 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -7.413 -22.440 -17.061 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 -7.543 -20.990 -17.471 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 -22.556 20.685 20.485 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 -23.186 21.375 20.705 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 -23.096 19.975 20.155 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 -7.616 24.865 -5.487 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 -8.196 25.635 -5.517 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 -7.336 24.815 -4.577 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 15.125 5.773 -6.269 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 15.065 5.103 -6.939 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 16.065 5.883 -6.109 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 10.823 15.575 -23.026 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 11.423 15.825 -23.726 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 11.383 15.325 -22.296 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 -18.997 -10.100 22.168 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 -18.357 -10.240 22.858 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 -19.247 -10.980 21.878 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 3.201 -16.114 10.577 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 3.611 -15.664 9.837 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 3.101 -17.014 10.277 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 3.945 7.744 16.395 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 3.555 8.364 17.015 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 3.215 7.244 16.055 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 -4.955 -14.464 4.264 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 -5.705 -14.834 3.794 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 -4.765 -15.104 4.954 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 -13.348 -7.348 -7.372 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 -13.648 -8.178 -7.762 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 -12.698 -7.618 -6.722 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 5.606 -6.628 10.013 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 5.796 -5.888 10.593 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 6.116 -6.468 9.223 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 24.894 -16.953 -24.913 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 25.144 -16.093 -25.243 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 24.224 -16.773 -24.243 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 -17.758 -15.996 18.329 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 -16.988 -16.566 18.299 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 -17.408 -15.126 18.509 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 22.029 5.692 10.689 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 21.239 6.172 10.929 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 22.679 5.962 11.339 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -2.025 23.485 12.564 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -2.905 23.845 12.554 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -1.975 22.985 13.374 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 17.237 14.800 24.424 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 16.427 14.810 24.934 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 17.857 15.310 24.944 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.156 -9.574 23.861 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 10.806 -10.454 23.981 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.096 -9.674 23.991 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.371 0.936 14.052 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.771 1.546 13.432 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.051 1.496 14.762 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.418 6.493 17.351 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -17.758 6.833 16.751 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.178 7.073 17.241 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -23.864 12.484 -9.171 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -23.114 12.044 -9.571 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -23.914 13.324 -9.621 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -16.550 -14.041 6.431 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -16.900 -13.161 6.311 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -16.590 -14.441 5.571 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -16.391 -1.304 11.849 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -16.721 -0.554 12.349 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -15.771 -0.924 11.229 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 -17.808 -0.165 -6.939 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 -18.498 -0.835 -6.869 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 -17.108 -0.595 -7.419 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -14.995 -10.651 -14.131 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -15.915 -10.531 -13.881 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -15.035 -10.951 -15.041 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 14.350 3.573 5.865 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 13.650 4.043 6.305 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 14.610 4.143 5.145 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 0.354 21.695 -4.659 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 -0.176 22.455 -4.439 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 -0.056 21.335 -5.449 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 -17.636 -14.875 -3.745 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 -18.426 -15.085 -4.235 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 -17.006 -14.585 -4.405 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 0.203 -25.093 8.121 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 -0.127 -25.223 9.011 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 1.153 -25.223 8.201 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 -18.316 23.241 17.825 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 -19.046 23.311 17.205 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 -18.726 23.311 18.685 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 -4.376 21.463 17.909 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 -4.196 20.543 18.079 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 -4.406 21.543 16.959 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -6.216 18.691 -14.652 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -6.356 18.621 -13.712 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 -6.956 19.211 -14.972 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 3.202 18.981 -14.401 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 3.042 19.721 -14.981 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 2.382 18.491 -14.391 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 3.506 -24.266 -22.679 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 3.916 -24.866 -22.059 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 2.866 -24.796 -23.149 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 10.246 -2.040 -14.616 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 11.026 -1.550 -14.866 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 10.296 -2.120 -13.666 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -9.386 15.883 -22.309 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -10.116 15.533 -22.829 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -9.556 15.563 -21.419 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 17.611 -9.822 13.273 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 16.851 -9.822 12.693 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 18.231 -10.422 12.863 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 0.002 13.224 3.329 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 0.872 13.624 3.259 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 0.112 12.354 2.939 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -13.096 -8.136 5.991 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -12.716 -7.526 6.621 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -13.486 -7.576 5.321 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 13.182 16.457 24.873 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 13.032 15.517 24.813 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 14.112 16.547 25.083 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 22.053 -2.557 12.745 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 22.973 -2.287 12.715 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 22.083 -3.507 12.885 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 21.455 -10.377 8.689 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 22.165 -10.157 9.289 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 21.895 -10.697 7.899 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 4.939 -14.618 16.983 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 4.959 -15.328 16.333 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 4.439 -14.978 17.713 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 -1.687 -4.904 -8.119 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 -1.077 -5.134 -8.809 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 -1.447 -5.474 -7.389 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 17.154 10.335 10.204 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 17.234 9.615 10.834 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 16.864 11.085 10.724 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -23.876 -16.604 -20.829 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -23.666 -15.944 -20.179 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -24.786 -16.854 -20.649 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -18.365 -0.608 17.457 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -18.995 -0.498 16.747 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -17.745 0.112 17.347 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 9.097 -2.864 17.093 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 9.227 -2.124 16.493 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 8.607 -2.494 17.823 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -12.880 20.955 9.497 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -13.640 20.455 9.187 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 -12.130 20.455 9.167 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -15.746 -22.955 6.713 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -16.696 -23.075 6.673 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -15.546 -22.995 7.653 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 -18.493 2.827 19.189 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 -19.333 2.897 18.729 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 -17.993 3.587 18.899 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 5.886 -0.793 11.933 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 5.096 -1.133 12.353 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 5.936 0.117 12.233 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -14.395 5.991 24.525 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -15.115 6.011 23.895 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -14.075 5.091 24.485 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -4.939 23.405 0.861 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -4.639 22.865 1.591 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -5.299 24.195 1.281 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 2.386 21.644 0.037 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 1.586 21.574 0.547 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 3.026 22.014 0.637 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 23.814 19.505 6.579 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 23.844 20.155 7.279 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 23.694 18.675 7.029 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.996 1.412 20.999 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -12.696 1.632 21.609 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.906 0.462 21.079 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -17.647 -3.704 6.836 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -16.897 -3.814 6.266 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -18.037 -2.864 6.586 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 22.752 -21.616 5.384 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 23.062 -20.906 4.834 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 23.152 -22.406 5.024 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -23.505 6.923 17.564 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -23.935 7.563 18.134 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -23.635 6.083 18.014 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 -14.406 -21.739 13.525 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 -13.856 -22.069 12.815 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 -13.786 -21.429 14.175 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 -16.527 -4.225 -15.939 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 -15.837 -4.245 -15.279 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 -17.337 -4.305 -15.439 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 20.284 -4.025 18.509 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 20.144 -3.805 19.429 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 20.734 -3.265 18.149 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 5.343 -19.285 24.372 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 4.863 -19.515 25.182 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 5.453 -20.115 23.922 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 -8.966 25.127 23.209 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 -9.646 24.777 23.779 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 -8.816 24.427 22.569 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 23.850 -5.943 -7.119 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 24.220 -6.753 -7.479 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 23.380 -6.223 -6.329 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 -2.549 18.977 -8.722 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 -2.769 19.187 -9.632 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 -3.379 18.707 -8.332 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 -0.247 15.855 1.464 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 -0.527 15.625 0.574 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 0.203 15.065 1.784 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -23.036 2.285 20.789 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -22.466 1.585 20.479 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -23.746 2.315 20.139 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 18.877 6.896 -8.251 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 18.467 7.466 -7.591 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 18.647 6.016 -7.971 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 8.296 -18.593 -23.171 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 7.906 -19.243 -23.741 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 9.206 -18.543 -23.441 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 3.891 -23.418 0.023 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 3.241 -23.938 -0.447 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 4.001 -22.628 -0.507 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 16.861 17.133 14.529 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 17.071 16.213 14.699 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 16.991 17.573 15.369 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 9.032 -25.557 21.364 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 8.292 -25.047 21.694 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 9.192 -25.207 20.494 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 10.406 7.045 5.785 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 11.216 7.465 5.485 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 10.536 6.935 6.725 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 16.005 -3.259 7.599 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 16.615 -2.539 7.759 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 15.225 -3.029 8.099 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -13.777 4.735 21.485 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -13.907 4.285 20.645 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -14.667 4.915 21.795 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -6.083 21.491 -24.096 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -6.143 22.381 -23.746 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -6.013 20.941 -23.316 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 24.366 -21.685 -3.539 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 24.186 -20.815 -3.189 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 23.806 -21.775 -4.299 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 24.674 -1.703 -14.991 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 25.014 -0.813 -15.031 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 23.814 -1.623 -14.561 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 -25.236 -19.627 13.901 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 -25.026 -20.117 13.101 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 -24.416 -19.207 14.151 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -18.487 11.951 25.473 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -18.967 12.561 24.923 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -18.177 11.271 24.863 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 -22.258 -20.779 -18.286 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 -21.908 -21.629 -18.556 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 -22.618 -20.399 -19.086 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 -18.955 -5.496 -0.241 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 -18.065 -5.586 -0.591 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 -19.515 -5.906 -0.911 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 23.773 -20.275 -23.783 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 24.383 -19.675 -24.223 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 24.323 -20.985 -23.463 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 -23.737 -9.339 -2.583 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 -24.257 -8.839 -3.213 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 -23.457 -10.119 -3.073 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 -24.671 -19.508 -17.387 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 -25.241 -20.258 -17.557 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 -23.791 -19.818 -17.577 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 -0.231 8.017 19.439 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 0.169 8.747 19.909 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 -1.051 7.847 19.909 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 -11.313 25.055 -25.125 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 -11.503 24.485 -24.385 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 -12.143 25.145 -25.585 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 -17.664 -17.186 -12.089 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 -17.784 -16.276 -12.349 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 -16.794 -17.416 -12.399 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 -17.084 -4.476 -2.362 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 -17.224 -5.306 -2.812 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 -16.134 -4.386 -2.312 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 15.884 17.370 24.523 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 16.094 16.710 25.183 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 16.164 16.970 23.693 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 7.225 19.565 22.864 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 7.445 20.465 23.124 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 6.735 19.655 22.054 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.787 22.478 -24.096 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -22.177 22.508 -23.216 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -21.057 21.868 -24.006 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.831 13.454 14.583 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -9.141 12.644 14.993 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.451 13.174 13.753 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 -0.706 -1.543 -23.201 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 0.194 -1.663 -23.501 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 -0.616 -0.973 -22.431 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 5.236 -15.679 -11.859 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 5.976 -15.829 -12.449 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 4.766 -14.949 -12.259 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -19.538 19.894 -17.735 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -20.298 19.314 -17.705 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -19.228 19.934 -16.835 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -2.744 23.387 20.900 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -2.164 23.157 21.630 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -3.284 24.097 21.230 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 19.727 9.724 -13.877 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 18.917 9.284 -13.627 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 20.107 10.034 -13.057 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -12.585 -9.966 -16.371 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -13.295 -9.506 -15.931 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -12.355 -9.416 -17.121 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 -1.141 -1.953 1.337 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 -1.561 -1.143 1.607 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 -1.861 -2.553 1.137 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -2.016 10.074 20.143 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -1.826 10.914 19.733 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -2.546 10.294 20.913 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -19.424 21.034 13.931 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -19.254 21.654 14.641 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -19.004 20.214 14.221 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 -21.648 -11.464 -22.905 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 -22.538 -11.754 -22.695 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 -21.658 -11.284 -23.835 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 -0.227 -19.326 -17.468 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 -0.457 -19.946 -18.158 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 0.563 -19.686 -17.068 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -2.428 -22.935 -16.676 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -1.548 -23.235 -16.906 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -2.618 -23.385 -15.856 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 19.303 19.775 -4.237 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 18.533 19.705 -4.797 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 19.873 20.405 -4.687 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 21.396 17.724 21.119 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 21.546 17.414 22.019 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 20.776 17.094 20.759 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 3.764 -14.428 4.623 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 3.934 -15.058 3.923 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 3.934 -13.578 4.243 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 10.380 5.866 -24.846 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 9.690 5.836 -24.186 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 9.920 5.966 -25.676 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 4.623 2.462 -12.293 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 4.413 1.602 -12.673 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 5.043 2.942 -13.013 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 -0.897 0.524 -4.685 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 -1.297 0.954 -3.936 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 -1.567 -0.076 -5.006 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 24.040 -9.956 -1.006 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 24.460 -9.546 -1.756 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 24.740 -10.456 -0.586 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 3.843 -5.195 20.653 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 3.473 -4.915 19.813 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 4.783 -5.165 20.523 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 11.192 -3.410 -8.801 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 10.492 -3.700 -8.221 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 11.402 -2.520 -8.511 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 3.326 -4.318 -8.681 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 3.886 -4.218 -7.921 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 2.736 -3.568 -8.641 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 21.816 -16.135 -21.399 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 22.106 -16.415 -22.269 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 22.596 -16.215 -20.849 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 8.545 -12.659 0.138 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 7.665 -12.789 -0.222 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 9.135 -12.979 -0.532 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 -20.595 3.284 4.647 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 -21.225 2.794 5.177 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 -20.095 2.604 4.187 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -13.637 19.053 23.847 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -12.897 18.983 24.447 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -13.467 18.403 23.167 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 -15.495 -5.376 -19.479 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 -14.835 -4.796 -19.089 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 -15.955 -5.766 -18.739 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 17.224 10.066 19.653 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 16.634 10.636 19.163 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 17.394 10.546 20.463 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 17.597 -7.745 3.883 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 17.397 -7.065 4.523 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 18.487 -7.535 3.583 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 13.789 -14.854 12.744 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 13.509 -15.764 12.814 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 13.499 -14.564 11.874 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 -15.670 3.445 6.919 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 -15.450 4.305 7.269 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 -15.110 3.335 6.149 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -9.585 14.041 -16.213 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -8.805 14.071 -15.663 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -10.185 14.671 -15.813 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 -6.507 -17.858 -17.135 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 -6.057 -17.018 -17.025 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 -6.097 -18.248 -17.905 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 -9.106 12.812 3.669 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 -9.016 11.862 3.559 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 -9.366 13.132 2.809 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 -13.000 -7.316 19.564 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 -12.310 -6.736 19.884 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 -13.410 -7.656 20.354 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -20.854 4.769 8.394 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -21.054 4.929 7.474 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -19.924 4.529 8.404 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 6.947 -10.209 -11.036 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 7.237 -9.939 -11.906 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 7.317 -11.079 -10.916 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -11.913 -6.766 -0.575 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -11.003 -7.036 -0.695 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -12.183 -6.456 -1.445 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.647 0.842 4.078 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.077 0.082 4.008 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.127 1.572 3.768 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -3.815 -11.238 -23.029 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -3.845 -10.318 -22.779 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -2.885 -11.438 -23.129 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -3.848 -3.143 0.927 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -4.148 -4.013 0.677 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -4.348 -2.933 1.717 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 -7.855 7.405 24.713 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 -8.565 7.985 24.433 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 -8.065 6.555 24.323 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 10.304 -16.116 10.049 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 9.964 -15.586 10.779 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 11.244 -16.186 10.229 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 0.914 2.186 13.011 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 0.744 1.596 13.741 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 0.304 1.906 12.321 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 16.793 -23.695 -19.391 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 16.793 -24.645 -19.551 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 15.883 -23.485 -19.201 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 -4.795 22.461 7.893 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 -5.315 22.441 7.093 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 -3.895 22.301 7.593 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 10.952 12.790 8.874 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 11.032 13.500 9.514 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 10.172 12.310 9.144 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -14.161 21.286 21.489 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -13.881 22.126 21.109 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -14.211 20.696 20.739 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 10.946 14.746 -11.639 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 11.266 14.386 -12.469 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 11.616 14.506 -10.999 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.724 -16.324 -13.891 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -2.464 -16.124 -13.311 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -1.824 -15.714 -14.621 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 24.167 15.103 23.409 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 24.637 15.233 22.589 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 24.057 14.153 23.469 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -0.997 -8.873 21.758 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -0.717 -8.043 21.348 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -1.807 -9.103 21.318 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 11.122 -8.138 0.585 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 10.542 -8.098 1.345 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 10.852 -7.398 0.035 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 17.596 -14.776 3.935 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 18.426 -15.156 3.665 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 17.826 -14.036 4.485 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 16.360 20.814 -2.389 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 15.770 21.204 -3.039 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 16.080 21.194 -1.559 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -13.125 24.777 1.295 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -13.755 24.067 1.455 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -12.585 24.807 2.075 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 13.365 19.360 18.739 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 13.375 19.880 19.539 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 12.495 18.970 18.719 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -13.558 2.755 -1.175 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -13.068 3.255 -1.815 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -14.468 2.985 -1.335 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 19.441 -13.773 -14.647 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 18.761 -13.583 -14.007 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 19.651 -12.923 -15.037 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 3.851 -4.531 -19.569 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 4.701 -4.561 -19.129 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 3.821 -3.661 -19.969 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 -8.800 2.785 -22.522 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 -8.450 1.895 -22.652 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 -9.530 2.675 -21.912 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 -9.318 18.874 -11.267 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 -9.088 19.774 -11.497 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 -10.158 18.954 -10.817 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 8.765 6.196 -14.633 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 8.245 6.506 -15.373 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 8.405 5.336 -14.433 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 24.085 -24.546 22.395 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 23.885 -24.726 23.315 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 25.025 -24.706 22.325 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 22.825 -18.905 8.341 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 22.775 -19.385 7.511 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 23.765 -18.725 8.451 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 10.334 -19.799 17.485 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 9.974 -19.039 17.935 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 11.274 -19.739 17.635 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 0.563 15.924 5.303 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 0.063 15.204 5.703 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 1.373 15.964 5.823 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 2.145 20.634 -21.915 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 1.525 20.754 -21.195 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 2.625 19.844 -21.675 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 2.802 11.177 17.715 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 2.782 10.507 18.395 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 3.382 11.847 18.055 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 -0.278 -5.828 -10.387 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 -0.378 -4.898 -10.547 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 -0.238 -6.218 -11.267 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 -17.696 6.543 6.418 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 -18.226 5.813 6.088 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -17.636 6.393 7.358 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 3.394 -18.827 14.935 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 2.604 -18.437 15.325 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 3.134 -19.727 14.725 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 21.576 13.225 -5.709 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 21.396 14.115 -6.009 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 20.716 12.845 -5.549 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 -6.026 3.006 -18.899 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 -6.026 2.826 -17.959 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 -6.836 2.616 -19.219 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 -17.415 -20.606 -0.493 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 -16.535 -20.866 -0.213 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 -17.965 -21.356 -0.263 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 15.656 -2.600 23.841 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 16.046 -3.200 24.481 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 16.406 -2.140 23.461 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 17.396 22.139 -23.219 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 17.086 22.969 -22.869 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 16.766 21.909 -23.899 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -7.401 16.136 -11.549 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -7.761 15.676 -10.789 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 -7.281 15.446 -12.209 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 -8.964 4.223 10.639 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 -8.734 4.793 9.899 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 -9.914 4.163 10.609 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -20.077 -15.636 16.621 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -19.667 -15.036 15.991 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -19.457 -15.686 17.341 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 1.066 6.054 24.613 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 0.276 6.294 25.113 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 0.846 6.274 23.703 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 1.355 -14.075 0.627 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 1.035 -13.485 -0.053 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 1.855 -13.525 1.217 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 2.891 -10.256 15.373 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 3.401 -10.266 16.183 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 3.381 -10.826 14.773 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 16.106 18.385 3.001 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 16.026 17.475 2.711 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 16.776 18.765 2.421 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -23.706 24.393 20.312 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -23.686 23.803 21.072 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -23.096 25.093 20.552 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -20.660 -21.063 -24.131 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -19.980 -20.703 -24.691 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -21.030 -20.303 -23.681 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 2.859 -7.046 10.299 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 3.819 -7.006 10.259 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 2.599 -6.236 10.729 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 16.905 -17.728 -3.943 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 16.215 -17.088 -3.813 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 16.665 -18.168 -4.763 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 0.123 -15.538 24.394 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 0.523 -15.458 25.254 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -0.627 -14.948 24.414 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 0.570 8.206 -13.501 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 0.280 7.556 -12.871 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 1.510 8.306 -13.341 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 24.353 -21.373 19.711 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 24.353 -22.193 19.221 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 24.113 -21.623 20.601 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 -12.358 -6.027 14.595 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 -11.718 -5.707 13.965 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 -12.088 -6.917 14.795 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 20.692 16.539 12.694 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 21.482 16.989 12.414 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 20.922 15.609 12.654 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 22.776 24.797 19.845 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 23.276 24.687 20.645 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 21.866 24.717 20.115 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 -15.971 3.884 -21.139 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 -16.381 4.054 -20.289 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 -16.141 4.674 -21.659 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 23.006 -10.740 17.344 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 23.606 -11.250 16.794 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 22.646 -10.080 16.754 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 2.946 7.803 12.617 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 2.086 7.383 12.667 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 3.206 7.713 11.697 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -22.795 -3.637 -20.932 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -21.855 -3.547 -21.082 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -22.935 -3.257 -20.062 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -8.135 21.964 24.834 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -7.515 21.904 25.564 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -8.015 22.854 24.494 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 -0.034 -18.739 10.961 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 0.856 -18.619 11.291 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 -0.334 -17.849 10.751 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -13.136 19.415 -11.139 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -12.906 20.335 -10.979 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -13.386 19.085 -10.269 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 13.153 18.563 12.662 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 13.673 19.333 12.452 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 12.723 18.333 11.832 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -21.245 23.773 -2.461 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -20.525 24.403 -2.531 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -21.415 23.513 -3.361 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -12.750 -16.779 10.253 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -12.190 -16.389 9.583 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -13.340 -17.359 9.773 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 -19.258 23.549 7.491 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 -19.368 22.739 7.991 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 -18.328 23.759 7.581 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 -17.973 23.263 -6.925 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 -18.463 22.893 -7.665 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 -18.433 24.083 -6.725 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 -0.668 -23.575 -21.589 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 -1.198 -24.345 -21.359 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 0.162 -23.715 -21.139 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 24.079 19.131 -0.311 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 24.779 18.551 -0.611 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 23.979 19.761 -1.021 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 20.643 -7.416 -7.427 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 21.003 -7.926 -8.157 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 20.673 -8.016 -6.677 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 -16.114 1.023 -16.311 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 -16.464 1.733 -16.841 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 -16.864 0.453 -16.141 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 10.672 -5.748 -4.051 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 10.512 -6.408 -4.721 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 11.292 -6.168 -3.451 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 -9.647 -16.465 -10.423 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 -9.517 -16.455 -9.473 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 -10.597 -16.365 -10.543 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 -2.979 14.751 -10.062 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 -3.589 15.001 -9.372 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 -2.949 15.501 -10.652 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 11.221 14.676 -17.237 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 11.221 14.856 -16.297 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 11.901 15.246 -17.587 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 17.854 13.084 -7.199 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 18.264 13.754 -7.739 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 17.494 13.564 -6.449 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 11.953 -11.304 21.110 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 12.533 -10.954 20.430 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 12.343 -12.144 21.340 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -20.436 -11.656 -11.603 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -20.896 -10.956 -11.133 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -20.226 -12.296 -10.923 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 -23.356 1.651 1.752 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 -22.686 1.461 1.092 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 -23.516 2.591 1.672 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 24.016 -0.096 15.923 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 23.556 0.574 16.433 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 24.616 0.394 15.363 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -14.048 -25.246 15.601 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -14.188 -25.696 14.771 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -14.498 -24.406 15.501 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 -3.343 25.015 23.977 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 -2.643 24.385 23.777 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 -3.753 25.205 23.137 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -18.477 6.000 -2.023 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -19.117 5.370 -2.363 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -18.537 5.900 -1.073 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -23.736 -12.909 -16.925 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -23.666 -13.769 -17.355 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -23.056 -12.379 -17.335 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 4.340 1.905 1.495 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 5.020 2.185 2.095 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 4.790 1.785 0.655 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 11.004 -19.890 20.528 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.774 -19.880 21.088 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 10.824 -18.970 20.338 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 11.570 0.552 -15.871 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 10.790 0.622 -16.431 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 11.890 -0.338 -16.021 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 5.433 -19.138 -22.997 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 5.853 -18.918 -22.167 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 5.803 -19.998 -23.227 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -20.635 19.032 7.856 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -20.635 19.062 8.816 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -21.355 19.612 7.606 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 22.326 -10.100 1.334 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 22.966 -10.070 0.625 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 22.446 -9.270 1.794 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -20.550 -11.399 12.069 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -21.050 -11.469 11.249 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -20.150 -12.259 12.179 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 -20.535 -9.018 -3.936 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 -21.325 -9.558 -3.826 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 -19.825 -9.568 -3.596 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 23.854 6.015 -17.221 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 24.534 6.195 -17.871 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 24.014 6.655 -16.521 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 15.894 23.965 -8.239 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 16.394 23.485 -7.579 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 14.984 23.885 -7.949 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -14.430 11.991 2.557 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -15.210 11.681 3.017 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.030 12.611 3.167 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 -20.164 -10.581 6.697 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 -19.454 -10.871 7.277 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 -20.034 -11.081 5.897 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 -1.795 -9.899 -9.739 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 -2.735 -10.079 -9.799 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 -1.705 -9.339 -8.969 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 13.882 18.431 -13.747 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 14.252 19.311 -13.817 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 14.562 17.861 -14.117 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 3.153 -0.179 7.047 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 3.023 -0.729 7.817 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 2.283 -0.089 6.667 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 -13.871 -4.744 -24.576 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 -14.191 -4.194 -23.866 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 -14.021 -5.644 -24.266 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -20.015 10.897 0.113 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -19.445 10.377 0.693 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -20.805 10.367 0.023 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -18.683 3.883 -9.609 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -18.683 3.563 -8.709 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -18.673 3.093 -10.149 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -11.344 -16.181 18.185 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -11.894 -16.911 18.505 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -11.124 -16.421 17.295 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 6.825 -21.929 -10.297 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 6.715 -21.079 -10.727 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 7.305 -22.469 -10.927 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 3.102 -23.038 4.943 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 4.022 -22.798 4.963 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 2.862 -23.008 4.013 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 3.641 -18.395 -8.778 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 3.241 -19.155 -8.358 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 3.321 -17.645 -8.268 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 -5.316 -3.606 4.225 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 -5.036 -3.856 5.105 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 -6.096 -4.136 4.055 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 15.333 -1.515 -3.423 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 15.593 -1.095 -2.593 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 14.393 -1.335 -3.493 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 -12.766 19.945 12.366 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 -12.216 20.215 11.626 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 -12.966 20.755 12.826 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -14.910 -22.075 -19.662 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -15.470 -21.305 -19.772 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -14.030 -21.715 -19.592 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 2.337 24.916 17.853 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 1.577 25.406 17.523 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 2.657 24.436 17.093 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -10.747 -22.867 22.889 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -11.627 -22.577 22.649 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -10.887 -23.577 23.509 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -6.514 18.672 -11.472 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -6.654 17.722 -11.512 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -7.384 19.052 -11.592 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 20.974 10.414 -5.692 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 21.734 9.974 -5.332 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 21.174 10.504 -6.632 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 16.033 -9.135 7.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 15.413 -8.415 7.193 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 15.913 -9.665 7.883 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 17.176 19.983 -19.281 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 16.376 19.473 -19.171 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 17.426 20.223 -18.381 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 -3.527 20.445 -6.067 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 -2.737 20.675 -5.587 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 -3.917 19.725 -5.567 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 15.963 25.025 3.873 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 16.463 24.345 3.413 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 16.053 25.805 3.313 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 -4.374 -23.794 -24.537 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 -3.744 -24.244 -25.107 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 -3.974 -22.944 -24.357 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 7.761 14.787 15.871 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 7.111 15.327 15.421 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 7.241 14.187 16.411 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 14.071 -2.366 9.507 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 13.161 -2.546 9.757 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 14.581 -2.566 10.287 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 -20.168 -15.571 -7.837 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 -20.268 -15.791 -8.767 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 -19.348 -15.081 -7.797 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -18.184 3.035 11.573 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -18.564 3.845 11.913 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -18.044 2.495 12.353 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 23.243 1.446 -12.621 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 22.973 2.076 -11.941 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 22.623 1.596 -13.331 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 18.616 -14.461 13.495 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 18.586 -15.091 12.775 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 17.846 -13.911 13.365 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -18.127 -2.486 -23.647 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -17.607 -2.216 -22.887 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -17.797 -1.926 -24.357 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 15.907 -15.645 23.679 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 15.197 -16.275 23.589 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 16.307 -15.845 24.529 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 22.932 -0.265 23.749 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 23.552 -0.985 23.769 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 22.102 -0.655 24.029 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.466 16.477 7.914 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -22.066 16.697 8.625 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -20.956 17.277 7.785 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 1.346 -21.830 -11.672 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 1.036 -22.740 -11.632 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 1.626 -21.630 -10.782 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -14.846 -13.574 -9.293 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -13.956 -13.234 -9.183 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -15.346 -13.134 -8.603 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -15.797 -16.018 -22.988 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -15.517 -16.568 -23.718 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -15.887 -15.138 -23.368 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 1.279 4.823 -23.263 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 1.319 5.173 -24.153 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 1.809 4.023 -23.293 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 -14.809 5.894 8.049 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 -14.439 6.704 7.709 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 -14.529 5.864 8.959 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 -5.416 -10.839 -9.917 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 -5.016 -10.359 -9.187 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 -5.946 -10.189 -10.377 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.663 6.693 -9.041 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -4.203 7.223 -8.461 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.733 7.123 -9.901 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 -19.785 7.614 -11.997 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 -19.435 6.924 -12.557 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 -19.745 7.244 -11.117 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -14.370 -9.968 -1.671 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -13.880 -9.938 -2.491 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -14.980 -10.688 -1.781 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 9.402 16.351 22.909 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 10.002 16.661 22.219 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 9.332 15.411 22.739 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 -9.523 -10.615 -24.881 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 -10.053 -10.855 -25.641 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 -9.763 -9.715 -24.691 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 4.303 -14.217 -24.171 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 3.943 -15.047 -24.491 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 4.763 -14.447 -23.361 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -18.686 -20.115 -9.617 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -19.026 -19.705 -8.817 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -18.496 -19.375 -10.197 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 -14.984 -7.045 -16.136 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 -15.364 -6.935 -15.266 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 -15.734 -7.115 -16.726 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 14.809 8.336 9.697 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 14.189 9.056 9.577 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 14.279 7.636 10.067 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 20.604 -15.494 -6.397 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 19.704 -15.694 -6.657 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 20.874 -16.234 -5.857 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 7.274 -7.371 1.143 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 7.924 -7.681 1.773 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 6.924 -8.171 0.743 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -3.994 22.904 -18.036 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -4.404 22.874 -18.906 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -3.084 23.144 -18.216 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 -9.194 0.063 -3.019 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 -8.654 0.853 -3.049 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 -9.804 0.213 -2.299 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 -10.028 8.173 16.889 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 -10.248 8.313 15.969 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 -10.078 9.053 17.279 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 11.746 23.722 21.799 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 11.806 24.052 22.689 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 12.336 24.272 21.289 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 6.026 6.327 12.325 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 6.206 7.247 12.135 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 6.456 6.167 13.165 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 10.916 7.992 23.959 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 10.736 8.862 24.319 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 11.736 7.722 24.379 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -4.363 -8.346 -0.317 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -5.023 -8.846 -0.797 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -3.643 -8.966 -0.187 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 -21.060 -7.544 24.681 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 -21.350 -6.834 25.251 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 -20.490 -7.114 24.041 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -22.233 -18.135 13.829 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -21.373 -17.725 13.759 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -22.073 -19.055 13.609 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -9.577 0.755 12.713 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -9.457 1.005 11.793 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -8.717 0.445 12.993 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 -11.897 -13.987 -9.372 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 -11.257 -13.917 -8.662 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 -12.357 -14.807 -9.202 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -10.336 8.192 24.209 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -11.066 8.462 24.769 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -10.696 7.502 23.659 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 6.943 12.924 18.578 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 7.473 12.194 18.238 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 6.443 12.544 19.298 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 24.124 -21.765 -9.538 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 23.874 -21.285 -10.328 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 23.314 -21.875 -9.048 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 15.842 8.385 15.819 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 16.562 8.125 15.229 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 15.062 8.355 15.269 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -7.143 -19.216 23.419 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -6.473 -19.756 22.989 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -7.973 -19.606 23.139 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 -5.166 19.142 8.659 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 -5.836 19.002 7.989 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 -5.176 20.082 8.829 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 19.223 5.957 11.357 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 18.743 6.687 11.747 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 18.553 5.307 11.167 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 -14.861 -0.973 24.704 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 -14.241 -0.273 24.504 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 -14.341 -1.773 24.634 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 13.906 -1.736 -24.172 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 14.506 -2.016 -24.862 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 14.266 -2.126 -23.372 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 6.504 1.970 -5.791 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 6.644 2.400 -6.641 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 7.384 1.780 -5.461 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 -3.005 -20.404 20.689 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 -2.885 -21.114 20.059 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 -3.905 -20.104 20.549 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 22.314 -15.686 4.550 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 22.754 -15.176 3.880 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 21.864 -15.036 5.090 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 13.645 19.595 -17.251 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 14.235 20.315 -17.031 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 12.775 19.915 -17.011 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -20.814 -12.177 21.121 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -21.194 -11.307 21.221 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -21.404 -12.757 21.601 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 -2.645 -18.524 12.689 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 -1.685 -18.474 12.719 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 -2.865 -19.174 13.349 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 20.051 23.935 -20.617 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 19.381 23.715 -19.977 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 19.761 24.755 -20.997 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 19.736 -0.449 24.448 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 19.046 -0.829 24.988 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 19.496 -0.669 23.548 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 19.334 13.004 13.821 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 19.604 13.724 14.381 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 19.664 13.244 12.951 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 -0.229 14.244 17.629 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 -0.589 14.184 18.519 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 -0.219 13.344 17.309 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 2.776 15.567 21.037 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 2.766 15.407 20.087 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 3.696 15.747 21.237 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 6.367 -11.798 -23.359 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 5.847 -10.998 -23.279 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 5.917 -12.308 -24.029 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 8.939 -25.317 7.709 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 8.679 -25.037 6.839 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 8.839 -24.537 8.259 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 0.065 11.564 17.068 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -0.155 10.764 16.588 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 0.885 11.354 17.518 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 0.834 -5.985 -6.795 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 0.924 -6.905 -7.045 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 0.794 -5.515 -7.625 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 22.722 23.156 -16.887 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 22.992 22.236 -16.887 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 22.512 23.346 -15.977 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -22.206 -1.928 -23.223 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -22.936 -2.538 -23.333 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -22.476 -1.338 -22.523 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -15.851 0.704 17.137 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -15.091 1.034 16.667 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -15.681 0.924 18.057 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 -1.839 -5.048 -23.858 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 -2.259 -5.898 -23.708 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 -1.089 -5.038 -23.268 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 16.081 -6.550 8.685 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 16.901 -7.000 8.495 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 15.781 -6.230 7.835 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 6.486 24.316 16.859 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 7.096 24.976 17.199 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 5.746 24.826 16.539 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -23.168 -22.754 -20.511 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -23.268 -22.824 -19.561 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -22.528 -23.434 -20.731 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 18.732 -24.817 -21.986 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 18.122 -24.097 -21.806 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 18.542 -25.067 -22.886 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -0.888 22.574 22.815 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -0.778 22.614 23.764 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -0.008 22.384 22.484 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 20.984 -17.493 -4.565 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 20.654 -17.003 -3.815 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 21.904 -17.673 -4.345 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 -20.119 -20.807 -12.297 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 -20.289 -21.747 -12.207 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 -19.529 -20.597 -11.577 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 6.234 -4.904 22.975 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 6.644 -5.494 22.345 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 5.394 -4.674 22.575 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 7.404 -22.439 14.464 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 8.024 -22.989 14.934 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 7.064 -22.989 13.764 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 19.784 -3.176 -7.706 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 19.694 -4.086 -7.986 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 19.394 -2.666 -8.416 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 1.886 22.054 7.024 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 1.846 21.094 7.074 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 2.266 22.244 6.164 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -16.419 -7.390 -21.497 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -15.919 -7.130 -20.727 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -16.869 -8.190 -21.237 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 -10.674 1.916 -7.632 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 -11.364 2.556 -7.472 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 -10.404 2.066 -8.542 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 11.412 -10.115 -19.365 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 11.112 -9.805 -18.505 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 10.632 -10.095 -19.915 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 17.733 -0.295 -24.019 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 17.783 -0.035 -23.109 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 16.853 -0.035 -24.299 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 3.571 -3.442 12.325 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 3.491 -2.492 12.215 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 2.681 -3.772 12.195 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 18.077 20.547 16.167 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 18.637 20.137 15.507 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 18.027 19.897 16.867 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 22.366 2.727 -24.377 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 23.246 2.427 -24.147 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 22.306 2.587 -25.327 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -23.607 4.465 9.174 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -23.117 4.535 9.994 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -22.937 4.365 8.504 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 19.096 13.211 -22.289 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 18.956 13.071 -23.229 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 20.026 13.441 -22.219 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 5.273 -11.376 -4.559 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 5.803 -12.116 -4.279 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 5.273 -11.416 -5.519 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -12.166 -23.495 6.175 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -12.596 -24.025 6.845 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -12.626 -23.715 5.365 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 10.063 -5.253 3.144 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 10.263 -4.613 3.824 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 10.733 -5.933 3.235 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 15.910 -13.589 -21.381 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 16.240 -14.439 -21.091 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 16.210 -12.969 -20.711 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 14.081 -15.943 -16.828 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 13.591 -16.723 -16.548 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 14.971 -16.113 -16.528 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 18.936 -18.358 -21.615 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 18.806 -18.408 -20.665 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 19.886 -18.398 -21.725 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -19.745 -3.405 -14.883 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -20.455 -3.875 -15.323 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -20.035 -3.325 -13.973 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -10.779 -17.957 5.003 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -11.179 -17.957 4.133 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -11.329 -17.367 5.523 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -6.586 17.632 14.146 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -7.296 18.262 14.166 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -6.336 17.562 13.226 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 -23.747 5.555 -18.351 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 -22.997 5.275 -18.891 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 -24.347 4.805 -18.381 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 -17.505 8.744 15.818 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 -16.755 9.064 15.318 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 -18.235 8.784 15.198 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -14.319 -23.616 -0.365 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -15.139 -23.996 -0.685 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -13.869 -24.336 0.065 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -15.203 -16.900 14.467 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -15.493 -17.740 14.827 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -14.303 -16.800 14.807 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 19.542 2.943 -11.996 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 19.832 2.793 -12.896 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 20.332 2.833 -11.476 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 -3.224 5.355 -12.962 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 -3.344 6.205 -12.532 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 -3.924 5.295 -13.602 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 -9.806 10.610 23.384 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 -9.776 9.740 23.785 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 -10.556 10.570 22.785 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 16.719 3.602 14.863 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 16.319 2.762 14.623 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 16.219 3.902 15.613 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 10.766 4.391 -17.257 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 11.246 4.151 -18.037 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 11.016 5.301 -17.087 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 -23.104 -2.725 13.798 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 -22.644 -2.955 12.988 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 -23.104 -1.775 13.818 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 -23.041 24.219 -20.936 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 -22.181 24.599 -20.726 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 -22.851 23.309 -21.156 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 14.692 -19.435 -19.305 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.252 -20.145 -19.635 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 13.862 -19.545 -19.785 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 16.164 17.235 -8.127 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 16.724 18.015 -8.077 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 15.944 17.165 -9.057 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -4.457 3.916 -2.495 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -3.737 4.546 -2.385 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -5.227 4.466 -2.635 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 -22.733 11.387 -19.472 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 -21.933 11.427 -19.992 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 -23.433 11.307 -20.112 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 -15.036 -4.805 15.805 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 -15.076 -3.875 15.575 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 -14.176 -5.085 15.495 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 13.413 4.667 -14.257 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 14.303 4.737 -13.897 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 13.133 5.577 -14.367 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 8.160 -10.948 17.457 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 7.520 -10.778 16.767 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 9.000 -11.008 16.997 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 23.905 -6.925 21.387 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 23.835 -7.695 21.947 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 23.965 -7.275 20.497 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 0.893 -23.826 -9.059 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 0.443 -24.566 -8.649 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 1.373 -23.416 -8.339 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -17.794 -1.793 2.049 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -17.864 -2.673 1.679 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -17.304 -1.293 1.399 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 -22.115 -9.477 -10.379 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 -22.075 -8.717 -9.799 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 -22.985 -9.847 -10.229 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 -15.781 16.683 12.521 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 -15.951 17.063 11.651 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 -16.591 16.213 12.741 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 14.974 24.141 10.931 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 15.134 23.681 10.111 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 15.734 24.721 11.031 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 5.063 4.518 21.341 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 4.223 4.878 21.051 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 5.693 4.808 20.681 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 7.621 -10.638 23.385 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 8.351 -11.018 23.875 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 6.931 -11.318 23.435 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 3.467 -9.846 -0.517 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 2.847 -9.136 -0.357 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 2.947 -10.646 -0.427 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 18.906 -15.381 8.093 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 18.306 -16.121 8.063 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 19.776 -15.771 8.173 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 24.407 13.193 -23.055 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 23.517 13.553 -23.045 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 24.977 13.963 -22.995 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 19.145 21.413 12.994 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 19.685 20.743 12.584 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 18.765 21.903 12.254 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -4.754 -24.777 -6.027 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -4.184 -25.517 -6.237 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -5.594 -25.177 -5.807 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 -2.514 2.405 19.071 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 -3.244 2.915 19.421 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 -2.134 1.975 19.831 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 2.112 16.334 2.757 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 2.012 15.764 1.997 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 1.532 15.954 3.427 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 24.362 19.013 -24.397 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 24.452 18.313 -23.747 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 23.512 19.413 -24.187 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 16.075 9.457 -2.831 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 16.175 9.927 -3.661 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 16.915 9.027 -2.691 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 18.234 18.826 -9.286 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 18.144 19.036 -10.216 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 19.184 18.806 -9.136 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.462 10.162 0.471 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 11.412 9.952 -0.459 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 10.812 9.592 0.881 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 17.716 3.437 1.669 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 17.736 3.127 2.579 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 17.266 2.737 1.189 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 -18.189 -24.104 5.923 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 -19.079 -23.884 6.213 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 -18.249 -24.174 4.973 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 2.376 -15.025 21.999 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 1.556 -15.445 22.259 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 2.116 -14.175 21.649 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 23.364 11.363 -10.949 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 23.974 11.263 -11.679 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 23.644 12.163 -10.519 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 6.053 17.047 -21.849 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 6.393 17.937 -21.909 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 5.503 16.947 -22.619 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 21.913 -0.810 -14.355 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 21.563 -1.300 -15.095 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 21.773 0.110 -14.585 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 -0.285 2.987 8.294 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 -0.685 2.287 7.785 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 -0.215 3.717 7.675 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 24.471 -14.362 -17.215 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 23.631 -14.772 -16.995 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 24.591 -13.702 -16.535 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 21.586 14.936 -9.097 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 21.686 14.906 -10.057 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 22.326 14.416 -8.777 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 20.199 13.988 11.259 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 20.689 14.318 10.509 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 19.429 14.548 11.319 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 13.463 -16.870 23.879 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 12.723 -16.900 23.279 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 13.543 -17.770 24.199 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 -15.383 12.764 -16.901 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 -15.553 12.394 -16.031 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 -15.943 12.254 -17.491 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 14.886 17.636 17.071 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 14.386 17.166 16.401 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 14.246 18.216 17.481 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 -19.174 0.575 1.774 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 -19.624 0.485 2.614 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 -19.034 -0.325 1.484 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 14.444 8.431 -11.901 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 14.474 8.421 -10.951 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 13.614 8.861 -12.111 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -24.425 15.516 17.487 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -24.695 16.406 17.247 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -24.915 14.946 16.887 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 -15.211 -10.966 -10.969 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 -15.381 -11.756 -11.479 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 -14.381 -10.636 -11.319 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 -2.033 -6.599 -4.817 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 -1.173 -6.799 -4.437 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 -2.603 -6.449 -4.057 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 17.296 12.674 20.935 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 16.936 13.234 21.625 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 17.056 13.114 20.115 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 -12.885 1.031 12.029 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 -13.025 1.721 11.379 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 -11.935 0.921 12.059 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -1.863 -5.102 14.447 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -1.663 -5.262 13.527 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -2.823 -5.142 14.497 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 24.824 -11.529 21.403 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 25.464 -11.499 22.113 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 23.974 -11.589 21.843 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 -15.186 6.609 4.634 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 -15.086 6.829 5.564 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 -14.296 6.669 4.284 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 13.525 -7.865 2.321 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 14.395 -7.645 1.991 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 13.315 -8.705 1.911 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 2.337 -13.188 10.681 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 3.237 -12.888 10.811 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 2.427 -14.138 10.571 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 1.847 3.773 -12.613 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 2.007 4.543 -12.053 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 2.697 3.353 -12.693 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 -16.034 -11.400 -16.847 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 -16.864 -11.490 -16.367 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 -15.464 -12.050 -16.447 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 -19.017 -10.890 -6.481 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 -19.037 -11.630 -5.861 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 -18.107 -10.600 -6.461 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 18.270 2.891 24.733 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 18.620 2.111 24.303 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 18.870 3.061 25.463 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -23.186 -5.618 14.293 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -23.116 -4.678 14.193 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -23.996 -5.748 14.793 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 19.277 21.011 -16.717 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 19.007 21.411 -15.887 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 19.837 20.281 -16.457 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 -15.638 23.715 13.421 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 -16.308 23.515 14.071 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 -15.308 22.865 13.151 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 18.205 -2.174 -9.735 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 18.665 -1.674 -10.405 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 17.635 -1.544 -9.305 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 23.026 7.915 17.130 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 23.916 8.205 16.930 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 23.086 7.555 18.010 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 12.713 8.192 15.823 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 12.833 7.562 15.113 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 11.773 8.392 15.803 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -20.011 5.525 -6.495 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -19.091 5.775 -6.475 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -20.001 4.615 -6.805 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 -1.664 21.707 6.677 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 -1.114 21.487 7.427 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 -1.064 22.097 6.047 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -17.544 22.052 -15.387 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -17.924 22.902 -15.177 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -17.344 22.102 -16.327 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 24.366 -9.388 19.715 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 24.396 -10.138 20.295 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 24.326 -9.758 18.835 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.067 -14.116 -11.279 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.787 -13.526 -11.069 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.737 -13.796 -12.119 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 19.750 -4.908 12.247 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 18.950 -4.798 11.737 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 19.700 -5.798 12.587 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 2.956 -23.476 22.783 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 2.506 -22.646 22.933 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 2.726 -23.716 21.893 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 15.774 24.144 -19.631 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 15.474 24.044 -18.721 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 14.964 24.184 -20.141 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 4.096 16.834 10.571 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 3.506 16.264 11.051 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 3.896 17.714 10.891 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 0.801 -23.969 -18.259 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 1.361 -24.109 -17.499 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 1.371 -24.099 -19.009 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 11.284 -15.729 -13.055 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 11.874 -15.759 -12.305 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 11.134 -16.649 -13.275 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -25.163 15.202 3.949 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -24.713 15.602 3.209 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -24.633 15.432 4.719 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -7.627 -13.137 20.775 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -8.027 -13.457 19.965 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -7.397 -13.927 21.255 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 -23.044 18.932 -8.751 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 -23.214 18.002 -8.851 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 -22.554 19.012 -7.931 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 23.994 -13.315 11.244 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 24.844 -12.875 11.255 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 23.874 -13.585 10.334 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 -9.978 -11.940 22.391 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 -9.198 -11.670 21.901 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 -10.708 -11.730 21.801 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 16.373 14.646 19.189 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 17.183 15.026 18.839 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 15.873 15.396 19.499 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 -20.034 10.181 -8.447 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 -20.974 10.081 -8.637 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 -19.774 9.341 -8.087 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 13.224 20.725 5.069 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 13.794 21.455 4.859 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 12.564 21.095 5.659 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -21.758 22.164 23.563 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -22.098 22.034 24.453 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -20.818 22.244 23.673 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -13.014 1.774 8.941 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -12.714 0.864 8.931 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -13.824 1.774 8.431 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 19.685 -12.516 -4.525 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 20.645 -12.486 -4.475 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 19.485 -12.196 -5.405 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -7.186 -2.725 17.838 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -6.386 -2.465 17.378 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -7.246 -2.135 18.588 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -7.837 20.088 9.473 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -8.157 19.188 9.533 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -8.087 20.378 8.603 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -12.543 14.664 -22.137 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -13.133 14.444 -21.417 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -12.033 13.864 -22.287 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 17.283 -15.997 11.667 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 16.753 -15.267 11.977 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 17.083 -16.067 10.737 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 17.385 -2.456 -22.201 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 17.525 -3.256 -22.701 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 17.605 -1.746 -22.801 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 22.212 7.211 13.274 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 22.992 6.801 13.634 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 22.292 8.131 13.524 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 -2.947 10.604 -14.065 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 -2.067 10.484 -13.695 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 -3.377 11.214 -13.465 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 3.779 3.815 6.603 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 3.379 4.675 6.503 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 4.429 3.925 7.293 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 6.143 22.133 0.858 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 6.403 21.473 1.498 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 6.023 22.933 1.368 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 18.455 19.765 -12.117 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 17.525 19.985 -12.157 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 18.755 19.885 -13.017 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -10.005 9.602 9.983 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -10.765 9.772 10.533 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -10.295 8.942 9.363 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 -12.436 -1.538 21.653 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 -12.456 -2.128 22.403 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 -11.976 -2.028 20.963 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 7.467 19.936 -3.201 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 6.797 19.906 -2.531 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 7.217 20.666 -3.771 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 -5.507 21.990 20.118 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 -4.877 22.140 19.418 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 -4.977 21.910 20.908 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 4.606 17.876 1.373 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 3.756 17.466 1.213 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 4.476 18.436 2.133 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 -13.325 -16.753 22.858 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 -12.755 -17.043 22.148 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 -12.725 -16.403 23.518 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 -10.814 19.673 5.697 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 -11.534 19.193 6.097 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 -10.604 19.183 4.907 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -16.617 -23.815 9.191 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -16.117 -23.275 9.801 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -17.527 -23.605 9.381 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -22.365 11.446 17.095 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -23.315 11.396 17.074 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -22.115 11.026 17.915 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -8.754 -18.616 -4.442 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -8.274 -19.376 -4.772 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -9.434 -18.996 -3.882 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 -25.183 2.863 -21.429 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 -24.553 3.533 -21.679 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 -25.113 2.813 -20.469 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 5.542 23.573 -17.937 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 5.652 24.293 -17.317 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 6.272 23.673 -18.547 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 5.614 -6.296 -2.343 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 5.634 -5.346 -2.473 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 6.064 -6.656 -3.103 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 15.074 -0.465 -20.377 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 14.794 -0.975 -21.137 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 14.554 -0.805 -19.647 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 10.376 4.949 2.907 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 10.886 5.119 3.707 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 10.446 3.999 2.787 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 4.045 22.807 11.769 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 3.475 22.467 11.069 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 3.635 23.627 12.029 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 -4.593 23.754 -20.982 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 -3.923 23.084 -21.142 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 -4.743 24.154 -21.842 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -7.753 15.712 17.895 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 -7.113 15.702 17.185 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -7.803 14.802 18.185 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 7.156 14.458 24.297 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 6.886 14.348 25.207 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 7.236 13.568 23.957 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 21.492 -2.729 8.543 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 20.562 -2.789 8.333 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 21.802 -1.979 8.033 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 -23.814 -12.134 19.433 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 -23.114 -12.004 20.083 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 -24.424 -11.414 19.593 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 -14.794 -23.654 -12.451 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 -15.524 -23.274 -11.971 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 -14.064 -23.654 -11.831 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -21.296 20.642 3.065 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -21.466 19.702 3.004 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -21.096 20.802 3.984 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 -12.236 -13.467 -12.147 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 -12.056 -13.957 -11.337 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 -13.066 -13.817 -12.457 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 2.825 7.016 8.723 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 3.125 7.396 9.543 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 2.175 6.366 8.973 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 -11.067 10.235 -8.991 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 -10.387 10.835 -8.691 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 -11.177 10.445 -9.921 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 14.973 -10.588 12.043 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 14.623 -10.948 12.853 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 15.513 -11.298 11.683 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 -19.825 22.922 20.681 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 -19.095 22.392 21.001 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 -20.475 22.282 20.401 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -5.835 -2.374 -18.149 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -5.445 -1.584 -18.519 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -5.895 -2.984 -18.879 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 10.935 -23.325 12.101 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 10.435 -24.145 12.141 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 11.835 -23.585 12.311 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 11.366 -23.228 6.259 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 10.836 -23.018 7.029 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 12.166 -22.718 6.369 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -2.374 -22.385 -9.629 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -1.524 -22.085 -9.319 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -3.014 -21.915 -9.089 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 -21.265 12.991 -17.056 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 -21.555 13.301 -17.916 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 -21.715 12.161 -16.946 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 21.512 -2.086 -16.898 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 21.432 -2.986 -17.228 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 22.052 -1.636 -17.558 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -13.645 6.431 1.593 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -13.695 7.321 1.933 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -14.525 6.251 1.253 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -23.123 -4.947 -16.907 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -23.223 -4.157 -16.367 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -22.513 -5.497 -16.407 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 -14.204 17.354 1.649 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 -14.284 17.194 2.589 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 -13.504 16.774 1.369 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -11.068 1.962 -13.021 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -11.688 1.552 -12.411 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -10.358 2.282 -12.471 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -23.191 0.425 -21.135 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 -23.361 0.355 -20.195 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -22.431 1.015 -21.195 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 -6.397 12.957 -10.917 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 -6.297 13.827 -10.537 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 -6.577 12.377 -10.177 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 -3.933 1.650 -16.431 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 -4.803 2.040 -16.521 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 -3.753 1.670 -15.501 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -12.773 6.315 15.118 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -12.733 7.035 15.748 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -13.343 5.675 15.538 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 4.465 -22.599 -24.921 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 4.425 -23.159 -25.691 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 4.185 -23.159 -24.201 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 13.743 23.601 -24.171 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 14.103 23.171 -24.941 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 13.333 24.401 -24.521 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -22.416 -11.106 -4.029 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -21.976 -11.456 -3.259 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -22.746 -11.886 -4.489 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 7.973 -16.614 -16.885 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 7.103 -16.204 -16.885 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 7.783 -17.554 -16.915 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 -0.635 2.443 0.507 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 -0.545 3.353 0.787 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 -0.025 2.363 -0.233 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -19.185 -13.672 12.531 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -20.075 -13.992 12.661 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -18.705 -13.962 13.311 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 10.614 -18.403 -12.987 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 11.274 -18.903 -12.517 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.784 -18.713 -12.637 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 20.146 5.752 -12.636 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 19.636 5.082 -12.176 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 19.496 6.202 -13.186 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 23.755 21.603 12.773 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 24.555 21.803 12.273 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 23.525 22.433 13.193 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -23.224 22.073 -9.966 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -23.974 22.543 -9.616 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -23.114 22.423 -10.856 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 -2.158 -8.169 -7.311 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 -3.018 -8.299 -7.701 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 -2.328 -7.719 -6.491 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 -3.216 22.163 3.147 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 -2.646 22.753 3.647 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 -2.756 21.323 3.137 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -12.895 22.674 -10.702 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -12.635 22.754 -9.782 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -12.895 23.584 -11.022 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 -22.675 -17.004 3.905 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 -22.235 -17.524 3.235 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 -22.365 -17.354 4.735 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -21.995 18.394 -17.836 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -22.675 18.224 -18.486 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -22.255 17.884 -17.066 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 14.421 -18.263 -24.297 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 14.291 -17.393 -23.907 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 15.271 -18.553 -23.957 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 18.485 -18.195 18.764 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 19.255 -17.655 18.944 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 18.835 -19.015 18.424 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 5.563 -16.754 5.991 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 6.153 -16.014 6.081 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 4.883 -16.454 5.391 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 13.711 -10.546 -22.953 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 14.661 -10.616 -22.873 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 13.381 -11.426 -22.773 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -4.117 -21.309 -18.173 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -3.467 -21.869 -17.763 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -4.757 -21.129 -17.483 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 -17.655 -23.476 12.138 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 -17.555 -23.926 12.978 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 -17.565 -24.176 11.488 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -1.893 -15.246 2.801 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -2.493 -15.986 2.881 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -1.193 -15.576 2.231 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -21.571 2.485 -20.647 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -20.771 2.955 -20.857 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -22.271 3.125 -20.787 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 -16.267 -1.495 -9.423 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 -15.877 -2.115 -10.043 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 -16.077 -0.635 -9.793 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -10.628 17.475 16.774 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -9.968 17.845 17.364 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -10.138 17.205 16.005 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 10.384 -24.095 -23.943 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 10.234 -24.845 -24.513 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 9.854 -24.275 -23.163 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 -9.181 -9.154 3.401 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 -9.491 -8.594 4.121 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 -8.591 -8.584 2.901 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -23.924 11.641 11.289 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -24.824 11.461 11.549 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -23.774 11.101 10.519 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 10.353 -21.873 -7.867 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 10.523 -22.113 -8.787 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 9.953 -22.653 -7.487 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 16.305 -12.583 9.503 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 16.005 -11.833 8.993 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 17.235 -12.663 9.273 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -12.027 3.475 7.125 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -11.177 3.155 6.835 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -12.157 3.075 7.985 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 16.983 -20.432 -13.311 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 17.003 -20.422 -12.351 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 17.903 -20.322 -13.561 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 19.584 17.354 -1.583 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 19.924 17.024 -2.413 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 20.084 16.894 -0.913 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 8.473 23.735 4.639 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 8.623 23.165 5.399 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 7.623 24.145 4.809 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -19.265 -17.154 12.749 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -19.425 -17.934 13.279 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -19.275 -17.474 11.849 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -2.977 -20.903 17.639 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -3.437 -21.733 17.499 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -3.247 -20.353 16.899 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 11.737 -11.858 -4.597 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 11.067 -11.188 -4.757 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 11.767 -12.358 -5.417 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 -24.586 -18.886 23.039 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 -24.966 -18.246 23.639 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 -24.046 -18.366 22.439 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -19.926 6.412 -9.493 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.286 6.212 -8.633 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.326 5.692 -9.683 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 -10.201 -23.883 -13.163 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 -10.541 -23.643 -14.033 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 -9.271 -23.673 -13.203 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 -3.078 25.512 -14.889 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 -3.808 25.072 -15.319 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 -2.328 24.932 -15.019 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 20.481 7.454 -21.229 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 19.691 7.994 -21.209 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 20.411 6.904 -20.449 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 17.777 9.923 -5.909 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 18.737 9.933 -5.829 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 17.497 9.193 -5.359 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 19.141 3.895 13.249 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 19.071 4.755 12.839 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 18.251 3.695 13.549 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 1.789 -15.805 -4.313 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 2.219 -16.365 -4.963 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 1.659 -14.975 -4.763 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -13.378 22.585 -5.545 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -13.408 23.025 -4.695 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -14.238 22.185 -5.645 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 -23.473 -14.286 21.989 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 -23.733 -14.726 21.189 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 -23.973 -13.466 21.989 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 -19.785 -9.417 -0.567 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 -19.665 -9.147 0.343 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 -20.515 -10.037 -0.537 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 23.085 17.397 -11.933 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 23.605 17.167 -11.163 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 23.395 16.797 -12.613 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 18.104 -3.913 -24.727 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 19.054 -4.033 -24.667 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 17.734 -4.683 -24.307 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -0.520 15.843 -24.566 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -0.030 16.543 -24.976 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -1.160 15.573 -25.226 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -3.535 13.005 13.721 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -3.425 13.015 14.681 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -3.715 13.925 13.501 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -0.687 -10.135 -12.401 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -0.767 -10.925 -11.861 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -1.477 -9.635 -12.221 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 24.615 9.653 22.603 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 24.745 10.593 22.753 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 23.845 9.433 23.133 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -9.993 -9.034 -11.977 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -10.483 -9.834 -12.177 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -10.503 -8.604 -11.297 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 4.524 19.994 6.555 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 4.714 20.544 7.315 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 5.024 19.194 6.705 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -8.234 -3.412 -19.905 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -8.084 -3.822 -20.755 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -8.314 -4.142 -19.295 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 4.602 -4.048 25.085 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 5.062 -3.218 24.925 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 5.262 -4.718 24.935 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 -23.295 15.508 13.578 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 -24.215 15.638 13.358 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 -23.265 14.658 13.998 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 19.884 15.355 15.263 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 20.744 15.575 15.603 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 19.654 16.075 14.683 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 -17.313 13.249 -7.025 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 -16.483 12.989 -7.425 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 -17.233 14.199 -6.905 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -19.226 -0.737 -14.813 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -19.116 -1.687 -14.853 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -20.166 -0.607 -14.913 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 -16.883 -17.774 -17.953 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 -17.093 -16.854 -17.793 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 -16.363 -18.044 -17.193 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 -0.348 0.766 3.865 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 -0.268 0.506 4.785 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 -0.468 1.716 3.905 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 -0.499 -14.475 -23.671 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 -0.839 -15.295 -23.311 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 -1.249 -13.875 -23.651 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -14.265 -12.915 12.227 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -13.845 -12.675 11.407 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -14.295 -13.865 12.217 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 9.049 15.544 18.779 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 8.859 15.364 17.859 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 9.589 14.804 19.059 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -4.348 -0.209 -23.683 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -3.768 0.261 -23.083 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -4.258 0.261 -24.513 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -24.947 -9.629 -11.556 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -25.597 -8.949 -11.676 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -25.367 -10.269 -10.986 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 -21.724 20.682 -6.437 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 -21.564 20.752 -5.497 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 -21.294 21.442 -6.817 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -16.865 19.884 -20.899 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -17.805 19.784 -20.789 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -16.645 20.664 -20.389 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 11.850 22.195 -22.722 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 12.770 22.325 -22.502 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 11.580 23.005 -23.152 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -24.477 23.146 -3.165 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -24.357 23.106 -2.215 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -25.407 23.366 -3.275 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 6.565 -0.604 6.487 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 5.715 -0.174 6.387 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 6.625 -0.824 7.417 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.075 -24.390 -20.879 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -9.945 -24.000 -20.809 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.475 -23.640 -20.869 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 -13.214 -2.430 -7.816 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 -14.114 -2.520 -7.526 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 -12.804 -1.870 -7.146 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 4.675 -1.325 20.668 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 5.575 -1.045 20.798 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 4.345 -0.775 19.958 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 4.691 -12.081 11.425 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 4.581 -11.761 12.324 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 4.831 -11.291 10.904 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 23.837 -19.008 11.432 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 23.557 -18.848 10.532 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 23.687 -19.938 11.572 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 4.074 -12.156 17.003 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 4.104 -13.096 16.833 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 3.214 -12.016 17.393 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -18.063 -13.609 0.769 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -18.173 -14.269 1.459 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -18.493 -13.989 -0.001 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -2.436 -1.619 19.149 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -2.516 -2.169 18.369 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -2.026 -2.179 19.799 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 -3.654 -21.919 8.603 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 -4.424 -21.439 8.283 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 -4.014 -22.719 8.973 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 20.523 24.137 1.803 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 20.443 24.067 0.853 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 20.993 23.347 2.063 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 6.145 2.812 5.523 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 5.355 2.442 5.923 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 6.225 3.682 5.923 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -17.683 -4.954 16.151 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -16.733 -4.944 16.051 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -18.013 -4.504 15.371 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 12.615 -3.642 -5.867 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 12.815 -3.992 -6.737 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 12.565 -4.412 -5.307 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 -11.464 -4.545 21.633 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 -11.244 -4.025 20.863 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 -11.134 -5.425 21.443 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 -1.884 2.104 -2.787 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 -1.294 2.264 -2.057 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 -2.734 1.954 -2.387 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 5.357 17.363 -14.027 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 5.847 18.153 -13.757 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 4.497 17.693 -14.277 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 -13.000 -21.157 1.978 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 -13.790 -21.617 2.288 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 -13.170 -20.987 1.048 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 4.182 -5.408 1.593 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 4.722 -5.598 2.363 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 4.782 -5.458 0.853 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 -24.721 -16.897 -16.541 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 -24.961 -17.767 -16.861 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 -24.451 -16.427 -17.321 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 17.337 -5.938 5.963 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 17.787 -5.238 6.433 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 17.747 -6.748 6.293 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -22.026 -15.134 2.019 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -22.476 -15.874 2.429 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -22.276 -14.374 2.549 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 -9.963 3.584 -4.819 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 -9.823 2.794 -5.329 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 -9.803 4.304 -5.429 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 5.736 -17.324 14.977 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 6.346 -17.664 14.327 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 4.896 -17.734 14.767 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 6.177 -2.754 -5.983 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 5.347 -2.614 -5.523 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 6.177 -3.694 -6.183 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 10.789 12.963 -8.837 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 10.619 13.573 -8.127 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 11.399 13.433 -9.407 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 22.347 10.127 12.391 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 21.847 9.647 11.721 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 21.677 10.477 12.981 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 -16.647 -3.344 13.985 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 -16.437 -4.234 13.695 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 -16.077 -2.784 13.455 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 -13.757 18.306 -8.623 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 -14.157 18.056 -7.783 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 -12.957 18.756 -8.373 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 23.391 -19.675 -1.171 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 24.171 -19.125 -1.201 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 23.701 -20.515 -0.821 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -15.183 22.674 1.938 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -15.423 22.184 2.728 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -15.783 23.424 1.938 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 4.872 9.147 -1.022 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 5.612 9.687 -1.302 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 4.572 9.547 -0.212 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 22.392 5.915 -4.860 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 21.942 5.615 -4.070 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 23.302 5.645 -4.740 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -12.403 -16.586 -9.943 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 -12.243 -17.506 -9.723 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 -13.263 -16.576 -10.353 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 7.277 -23.230 -24.275 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 6.527 -23.340 -24.865 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 7.107 -23.830 -23.555 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -16.503 4.243 18.149 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -15.813 3.693 17.779 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -16.833 4.753 17.409 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -0.301 -17.390 -2.816 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 0.449 -16.940 -3.185 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -1.001 -16.730 -2.806 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 -8.917 -19.397 -15.842 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 -9.417 -18.627 -16.122 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 -8.097 -19.347 -16.332 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 14.604 -14.615 8.341 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 15.094 -13.875 8.711 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 15.214 -15.005 7.711 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 6.367 20.287 -8.599 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 6.457 21.027 -9.209 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 6.617 19.527 -9.119 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -10.503 -7.830 -24.409 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -10.413 -6.880 -24.269 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -11.413 -7.940 -24.679 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 -8.347 -3.853 -9.563 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 -8.947 -3.733 -8.833 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 -7.527 -4.153 -9.163 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 2.184 22.252 9.769 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 1.314 21.862 9.859 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 2.154 22.712 8.929 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 -16.517 17.173 22.761 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 -16.917 16.623 23.441 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 -15.587 16.973 22.811 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 15.304 8.282 6.957 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 15.114 8.702 7.797 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 14.624 8.612 6.367 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.474 15.123 10.131 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.364 16.023 9.831 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -20.414 14.943 10.031 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 -3.260 7.212 16.863 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 -3.080 8.022 16.393 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 -2.430 6.972 17.263 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 25.234 15.955 0.489 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 24.874 15.425 1.199 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 24.884 15.575 -0.301 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 -16.846 6.563 12.643 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 -17.076 5.673 12.403 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 -17.676 6.983 12.863 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 4.526 11.057 20.955 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 4.226 11.827 20.485 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 3.976 11.017 21.735 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.819 -20.508 -12.397 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.279 -20.178 -11.687 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 13.409 -21.128 -11.967 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 6.074 -13.068 24.043 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 5.494 -13.758 24.383 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 6.904 -13.518 23.883 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 -15.776 -21.645 -8.047 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 -15.286 -21.805 -7.237 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 -15.156 -21.175 -8.607 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 -24.663 7.423 -10.591 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 -24.973 8.023 -9.911 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 -25.383 6.803 -10.721 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 -19.896 -7.195 5.231 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 -19.696 -7.215 6.161 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 -20.826 -6.955 5.181 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 -10.594 2.282 -15.654 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 -10.424 1.962 -14.764 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 -11.244 2.972 -15.534 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 -14.855 -23.650 -21.999 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 -15.385 -23.000 -21.539 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 -14.245 -23.130 -22.529 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 2.945 24.826 -15.647 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 3.495 25.606 -15.547 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 2.885 24.456 -14.767 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 11.977 -15.557 -21.167 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 12.567 -15.857 -20.477 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 11.817 -14.627 -20.957 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 22.626 14.137 -0.346 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 22.586 13.227 -0.636 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 22.266 14.127 0.544 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 -8.097 16.354 24.371 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 -8.007 16.864 23.571 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 -8.717 15.664 24.161 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 0.910 21.423 -19.445 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 0.760 21.613 -18.525 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 1.760 20.983 -19.455 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 -9.399 10.704 -4.467 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 -9.999 9.974 -4.657 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 -8.549 10.404 -4.777 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 10.976 -17.439 13.844 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 10.176 -17.339 14.364 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 11.166 -16.549 13.534 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -5.240 -3.024 7.933 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -4.780 -2.314 8.373 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -4.700 -3.224 7.173 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 10.063 9.723 6.908 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 9.843 9.113 6.208 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 9.503 10.483 6.748 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 18.003 23.654 15.627 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 17.833 23.874 14.707 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 18.013 22.694 15.647 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -6.381 -23.444 -22.433 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -7.151 -23.914 -22.753 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -5.681 -23.724 -23.023 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 -6.506 -19.407 -19.885 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 -7.396 -19.747 -19.815 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 -5.946 -20.167 -19.695 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 -0.555 20.245 17.289 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 0.175 19.865 17.759 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 -0.485 21.185 17.449 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 22.316 -20.267 23.951 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 21.586 -20.787 23.621 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 22.886 -20.147 23.191 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 12.546 16.791 9.765 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 12.716 17.071 8.865 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 12.216 17.571 10.205 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 3.794 19.155 14.119 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 4.274 19.895 13.749 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 3.264 18.825 13.389 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 21.593 -22.339 -23.089 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.123 -21.969 -23.789 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 20.763 -21.879 -23.149 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 5.452 16.252 -6.075 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 5.112 15.582 -5.495 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 6.242 16.572 -5.645 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 -6.195 5.353 -20.421 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 -5.825 6.143 -20.021 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 -5.765 4.633 -19.971 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 23.606 15.402 -2.499 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 22.986 16.122 -2.389 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 23.376 14.772 -1.809 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 6.041 13.940 -2.676 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 5.151 13.610 -2.556 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 6.091 14.710 -2.106 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 -3.516 -23.601 1.729 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 -4.156 -24.011 2.309 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 -3.016 -23.021 2.309 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 9.234 2.684 13.093 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 8.284 2.754 13.003 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 9.584 3.064 12.283 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 4.193 22.454 -7.976 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 3.833 22.424 -7.086 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 4.743 23.234 -7.986 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 -10.786 12.205 -2.849 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 -10.366 11.975 -3.679 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -10.686 11.415 -2.309 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -6.677 -18.496 -7.695 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -6.407 -19.096 -8.395 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -5.887 -17.976 -7.505 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -13.228 -7.174 1.701 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -12.698 -6.894 0.951 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -13.988 -6.594 1.681 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 17.683 16.072 -21.305 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 18.473 15.602 -21.555 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 17.043 15.862 -21.995 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 24.253 -24.234 -4.751 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 24.583 -23.664 -4.071 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 24.473 -23.784 -5.571 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 -18.565 -15.114 -21.649 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 -17.885 -15.524 -22.179 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 -18.415 -14.174 -21.759 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 -20.014 13.572 -5.883 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 -19.704 12.792 -5.413 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 -19.234 14.102 -6.003 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 1.653 3.674 -6.202 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 1.263 3.274 -5.432 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 1.943 2.934 -6.742 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 -7.817 -23.824 16.398 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 -8.247 -23.544 17.208 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 -7.497 -23.014 15.998 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 20.285 -17.958 8.611 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 20.025 -18.688 9.171 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 21.245 -18.008 8.591 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -11.721 22.188 3.895 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -12.451 21.578 4.045 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -11.271 22.238 4.735 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 0.265 -11.344 -7.919 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 0.085 -10.754 -8.659 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 1.005 -10.944 -7.469 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 24.252 -8.279 12.525 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 23.492 -8.039 11.995 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 24.922 -8.509 11.885 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 -18.013 19.286 -15.236 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 -17.263 19.866 -15.136 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 -18.633 19.576 -14.566 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 19.114 19.829 2.467 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 19.024 20.729 2.787 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 19.164 19.909 1.517 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 9.013 -24.034 15.734 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 9.053 -24.984 15.724 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 9.543 -23.784 16.504 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 24.732 -2.474 12.005 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 25.552 -2.144 12.375 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 24.782 -3.424 12.155 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 8.955 -14.759 13.257 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 8.855 -15.099 14.137 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 9.545 -14.009 13.357 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -13.571 15.487 -24.459 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -13.261 15.407 -23.559 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -13.941 16.367 -24.519 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 24.707 -10.886 -17.151 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 24.667 -10.636 -16.231 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 25.337 -11.606 -17.181 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 19.264 5.671 2.461 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 18.754 6.071 1.751 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 18.704 4.981 2.801 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 24.285 4.315 -3.447 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 24.885 4.195 -2.707 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 23.465 3.905 -3.167 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 10.284 -6.385 19.355 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 11.224 -6.305 19.535 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 10.244 -6.765 18.475 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 22.836 17.265 5.035 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 23.166 18.085 5.394 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 22.256 17.535 4.324 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.436 -4.398 -14.732 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.936 -4.848 -14.052 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -10.806 -3.508 -14.742 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -10.296 17.096 4.835 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -9.556 17.146 5.435 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -10.996 16.666 5.335 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 -20.887 -10.515 24.479 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 -21.497 -10.575 23.749 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 -20.567 -9.605 24.459 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 -15.288 -5.238 1.429 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 -15.008 -5.388 0.519 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 -15.638 -4.348 1.419 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 -19.864 13.876 23.600 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 -20.054 14.716 24.000 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 -20.094 13.986 22.680 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -11.597 -16.254 -13.855 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -11.807 -15.374 -14.155 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -10.887 -16.544 -14.425 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -3.967 -14.626 -2.875 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -3.857 -15.526 -2.556 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -4.877 -14.596 -3.176 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 -13.427 -9.788 2.245 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 -14.377 -9.898 2.285 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 -13.297 -8.948 1.815 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 -9.629 -0.655 4.143 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 -9.559 -1.135 3.313 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 -9.119 -1.175 4.763 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -6.566 3.595 -11.089 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -7.456 3.445 -10.759 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -6.626 3.365 -12.019 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 -4.163 15.585 -7.386 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 -4.353 16.255 -6.726 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 -3.363 15.165 -7.086 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.595 1.483 9.429 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 6.855 1.303 8.849 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 8.345 1.073 8.999 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -16.246 4.616 -0.287 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -17.056 5.046 0.003 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -16.546 3.786 -0.647 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -12.656 -16.483 15.457 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -12.936 -16.903 16.267 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -12.256 -17.183 14.937 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -14.235 -9.493 -18.526 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -14.105 -8.553 -18.626 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -14.625 -9.593 -17.656 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -24.798 -6.383 16.519 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -24.778 -7.333 16.419 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -23.908 -6.153 16.769 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 22.444 16.596 -4.929 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 22.904 16.126 -4.239 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 22.654 17.516 -4.779 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -19.305 -7.108 1.948 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -19.095 -6.358 1.378 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -18.535 -7.678 1.888 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 6.010 -11.324 19.814 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 5.120 -11.364 20.154 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 6.040 -12.024 19.154 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 23.459 0.681 -18.072 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 22.699 1.071 -18.522 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 23.529 1.161 -17.252 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -2.679 -5.026 23.251 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -3.489 -5.156 23.741 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.229 -4.326 23.721 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.976 -9.977 -1.739 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 8.026 -9.857 -1.819 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.116 -10.247 -0.829 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -21.124 1.747 0.097 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -20.264 1.757 0.527 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -21.104 2.507 -0.493 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 13.162 3.914 19.261 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 13.722 3.334 19.781 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 13.362 4.794 19.581 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -20.624 -9.336 -14.319 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -20.914 -9.816 -15.089 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.364 -8.776 -14.089 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 22.097 1.546 18.099 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 22.867 1.296 18.609 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 21.357 1.466 18.709 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 6.855 16.177 -11.657 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 6.235 16.637 -12.227 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 6.485 15.307 -11.537 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 22.252 11.417 -1.475 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 22.362 11.427 -2.425 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 21.382 11.037 -1.335 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -8.635 20.506 6.849 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -8.415 21.116 6.149 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -9.275 19.906 6.449 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -8.813 -17.784 18.831 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -9.023 -18.654 18.511 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -7.933 -17.864 19.201 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 -15.994 8.684 17.949 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 -16.324 7.864 18.309 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 -16.564 8.854 17.189 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 6.452 -19.286 5.694 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 6.732 -18.746 6.424 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 5.712 -18.816 5.304 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 24.503 11.181 12.973 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 24.953 10.451 13.403 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 23.743 10.791 12.553 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 -0.885 15.158 7.275 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 -1.655 15.548 7.685 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 -0.935 14.228 7.495 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 12.114 -4.451 14.549 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 11.854 -4.271 13.649 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 12.144 -3.591 14.969 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 5.571 -19.703 11.325 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 6.421 -19.723 10.885 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.721 -20.143 12.165 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 19.790 16.543 -11.687 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 20.480 15.893 -11.817 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 20.250 17.363 -11.517 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 19.207 -12.185 21.963 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 20.107 -12.475 21.863 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 19.067 -11.585 21.233 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 -22.955 -18.966 -23.576 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 -23.185 -18.106 -23.236 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 -22.495 -18.786 -24.396 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 -15.915 20.814 12.627 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 -15.775 19.904 12.367 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 -16.835 20.974 12.447 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -17.794 -11.128 8.064 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -17.514 -10.488 8.714 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -17.024 -11.668 7.894 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -24.306 -12.224 -21.987 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -24.626 -11.654 -22.687 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -24.196 -13.084 -22.407 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -25.081 19.537 -10.813 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -24.681 20.097 -11.483 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -24.411 19.437 -10.143 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 20.892 -23.628 18.241 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 21.412 -22.938 18.651 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 19.992 -23.298 18.271 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 16.370 -18.318 3.457 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 17.090 -17.978 2.917 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 15.730 -17.608 3.477 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -3.484 -17.787 1.567 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -4.264 -17.757 1.007 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -3.834 -17.857 2.457 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -1.395 14.595 14.651 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -2.095 14.185 14.141 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -1.845 15.215 15.221 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 14.181 11.322 -2.749 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 14.361 11.272 -3.689 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 14.771 10.692 -2.349 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 -24.096 -6.818 3.781 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 -23.586 -7.008 3.001 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 -24.886 -6.378 3.461 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 -10.061 12.694 21.267 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 -10.991 12.554 21.457 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 -9.601 12.254 21.977 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 2.581 7.135 -1.036 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 3.111 7.595 -1.686 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 2.191 6.395 -1.516 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 -14.070 -13.979 7.425 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -14.790 -13.589 6.935 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 -13.580 -14.489 6.785 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -24.984 -21.507 -22.257 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -24.174 -21.007 -22.297 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -24.784 -22.257 -21.697 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 17.699 -18.265 23.677 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 18.509 -17.885 23.347 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 17.039 -17.575 23.567 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 -16.783 19.807 -3.743 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 -17.003 18.907 -3.523 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 -16.343 20.147 -2.953 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 9.119 22.175 22.525 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 9.829 22.085 21.885 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 8.639 22.955 22.245 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 22.413 -5.996 11.101 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 21.733 -5.336 11.141 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 22.563 -6.246 12.011 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 11.517 16.863 13.945 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 11.277 17.333 14.735 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 12.127 17.433 13.485 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 21.661 -22.347 15.117 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 22.071 -21.497 15.287 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 22.191 -22.957 15.637 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 6.183 15.076 -19.789 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 5.623 15.206 -19.029 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 5.963 15.796 -20.379 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -12.545 6.892 4.699 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -12.375 7.792 4.429 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -11.675 6.482 4.719 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -14.079 -12.044 15.889 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -14.949 -12.194 16.269 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -14.189 -11.284 15.319 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -11.774 9.812 12.238 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -11.454 9.032 12.698 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -12.104 10.372 12.938 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -9.576 4.542 23.817 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -9.636 4.162 22.947 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -10.436 4.922 23.977 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 5.365 -5.274 -6.840 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 5.735 -5.614 -7.660 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 4.975 -6.044 -6.420 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 17.887 -1.004 13.525 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 18.447 -0.644 12.835 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 18.467 -1.144 14.265 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -7.515 13.485 -13.343 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -6.865 13.825 -13.973 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -7.045 12.835 -12.833 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -3.006 -4.826 7.161 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -2.146 -4.976 7.541 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -3.166 -5.586 6.601 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -14.794 1.464 21.547 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -14.874 0.574 21.197 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -15.694 1.734 21.727 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 -11.607 -23.939 -21.527 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 -11.777 -23.449 -22.337 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 -11.917 -24.829 -21.717 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 17.187 22.983 6.558 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 16.577 23.663 6.268 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 17.917 23.043 5.958 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 -22.517 -13.167 13.659 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 -22.077 -12.367 13.959 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 -23.437 -12.907 13.549 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 -25.227 11.206 -16.049 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 -24.377 11.456 -16.399 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 -25.717 10.876 -16.809 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -5.503 -24.507 -13.249 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -5.683 -23.827 -13.899 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -4.633 -24.837 -13.479 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 -12.066 -18.954 20.915 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 -11.636 -19.684 20.465 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 -12.786 -19.374 21.405 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 8.782 6.150 18.231 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 9.492 6.230 18.861 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 9.212 6.200 17.371 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 22.942 8.056 -13.597 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 23.312 7.216 -13.887 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 22.042 7.856 -13.367 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -16.866 -24.098 -19.372 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -16.306 -23.378 -19.662 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -17.106 -24.558 -20.172 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 14.287 -8.276 10.607 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 14.727 -9.086 10.887 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 14.987 -7.626 10.597 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -16.434 3.852 3.597 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -15.964 3.672 2.777 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -16.044 4.652 3.927 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 -13.984 1.433 -21.903 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 -13.184 1.003 -22.173 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 -14.044 2.213 -22.453 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 16.663 6.712 0.048 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 17.503 7.112 -0.212 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 16.023 7.102 -0.552 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 7.103 11.003 -1.801 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 7.403 11.803 -2.231 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 7.803 10.783 -1.191 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 2.625 21.496 16.471 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 3.085 21.696 17.291 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 2.455 20.556 16.521 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 5.975 5.654 -15.987 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 5.505 4.994 -16.507 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 5.935 6.444 -16.527 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 22.169 10.523 16.354 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 22.549 9.733 16.735 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 21.369 10.213 15.914 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -15.165 21.273 -7.943 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -15.775 20.713 -8.423 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -15.305 21.053 -7.023 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 -14.586 10.384 11.287 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 -14.106 9.594 11.037 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 -13.966 10.894 11.807 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 16.223 2.852 19.007 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 16.443 1.972 18.707 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 15.623 3.192 18.347 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 24.184 23.904 9.061 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 24.384 24.494 9.781 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 24.974 23.904 8.511 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 17.755 -20.279 0.249 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 17.215 -20.909 -0.221 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 17.225 -19.479 0.269 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 9.513 -20.238 10.719 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 9.443 -19.948 11.629 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 10.213 -20.888 10.729 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -21.896 7.977 12.948 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -21.236 7.287 13.008 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -21.416 8.787 13.158 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 11.542 -18.667 -18.855 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 11.382 -18.887 -17.945 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 11.632 -17.717 -18.865 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -3.025 -19.216 -4.779 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -3.735 -18.586 -4.679 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -2.275 -18.686 -5.049 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -23.501 23.703 15.137 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -24.311 23.763 14.627 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -23.381 22.763 15.287 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 15.205 -5.408 -10.605 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 14.255 -5.448 -10.705 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 15.485 -4.728 -11.215 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -0.824 10.254 23.745 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -1.244 9.514 24.205 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -0.004 9.884 23.415 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 -16.045 -19.738 13.771 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 -15.375 -19.098 13.501 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 -15.585 -20.568 13.821 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 10.780 -10.955 7.844 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 10.690 -10.005 7.744 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 11.180 -11.235 7.024 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -20.445 -25.005 -10.631 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -20.295 -24.505 -9.831 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -21.225 -24.605 -11.021 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 23.771 -12.275 -5.073 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 24.301 -12.665 -4.383 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 23.531 -13.015 -5.633 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 2.513 21.076 25.119 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 2.513 21.736 24.419 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 3.303 20.556 24.969 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 -4.298 21.115 -14.729 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 -3.458 20.675 -14.649 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 -4.818 20.565 -15.309 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -23.665 -6.596 -19.051 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -23.625 -5.896 -18.391 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -23.745 -6.126 -19.881 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -6.151 -23.817 -8.952 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -5.871 -22.997 -8.542 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -5.801 -24.507 -8.402 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 22.521 13.046 -17.127 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 22.371 12.146 -16.867 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 23.371 13.036 -17.567 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 13.896 -1.209 -6.497 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 13.746 -2.069 -6.107 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 13.476 -0.589 -5.907 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 5.707 15.134 6.741 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 6.317 15.184 7.471 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 6.107 14.534 6.121 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 9.375 -7.765 -14.717 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 9.245 -6.865 -14.417 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 9.205 -8.305 -13.947 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -23.585 5.643 12.528 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -24.405 6.133 12.478 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -22.895 6.303 12.418 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 13.703 -22.876 -11.336 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 12.793 -22.846 -11.046 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 13.743 -23.626 -11.926 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 16.473 1.022 21.185 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 15.953 1.762 20.875 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 17.333 1.402 21.395 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -20.933 -11.576 2.327 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -20.113 -11.096 2.247 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -21.053 -11.696 3.277 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 1.851 12.764 5.504 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 1.031 12.944 5.044 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 2.301 13.604 5.534 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 9.717 10.522 11.795 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 10.307 10.522 11.045 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 10.227 10.132 12.505 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 1.323 -21.676 8.289 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 0.473 -21.686 7.849 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 1.583 -20.756 8.279 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 0.766 -2.036 20.135 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 0.096 -2.626 20.465 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 0.936 -2.346 19.245 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 8.884 -0.746 -4.478 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 8.204 -0.946 -3.828 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 9.244 -1.606 -4.718 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 8.435 -23.659 5.457 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 8.495 -23.989 4.557 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 7.675 -23.069 5.447 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 25.242 -18.168 -6.923 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 24.472 -17.898 -7.413 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 25.202 -19.118 -6.923 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 23.365 -23.690 1.457 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 22.895 -22.870 1.657 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 24.265 -23.410 1.287 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 11.234 19.169 15.304 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 10.674 19.899 15.574 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 11.684 19.499 14.524 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 24.774 16.863 -22.748 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 25.294 16.083 -22.568 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 24.294 17.013 -21.928 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -19.714 -22.816 -9.157 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -19.404 -22.966 -8.267 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -19.554 -21.886 -9.317 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -12.971 -18.839 17.425 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -13.451 -19.599 17.085 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -12.051 -19.029 17.225 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 23.124 -10.656 5.265 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 23.174 -9.866 4.725 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 22.994 -11.366 4.645 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 4.664 11.217 8.025 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 4.354 12.117 7.945 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 4.074 10.817 8.665 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 4.307 24.911 24.375 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 3.757 25.621 24.045 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 4.067 24.841 25.305 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 24.456 20.304 -3.699 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 24.756 19.664 -4.349 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 25.266 20.644 -3.309 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 -14.719 18.304 -21.855 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 -15.209 19.044 -21.495 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 -15.029 17.554 -21.345 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 -12.763 -2.828 -0.563 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 -13.153 -2.088 -0.083 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 -12.213 -3.268 0.087 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 16.033 -17.764 -15.343 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 16.843 -18.254 -15.513 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 15.803 -17.984 -14.433 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 18.842 -3.747 -0.777 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 19.772 -3.827 -1.007 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 18.372 -4.027 -1.567 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 0.225 20.556 11.901 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 -0.185 19.806 12.331 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 0.445 21.156 12.621 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 10.482 -1.907 6.767 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 10.332 -2.707 6.267 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 10.042 -2.057 7.597 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -2.655 -12.308 -8.339 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 -2.225 -12.538 -7.509 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -2.025 -11.738 -8.779 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 18.004 5.203 -3.579 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 17.104 4.893 -3.459 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 18.524 4.403 -3.679 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 -0.327 1.346 -20.377 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 -0.497 1.346 -19.437 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 -0.067 2.246 -20.577 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -17.306 -17.424 -6.505 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -17.296 -16.564 -6.925 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -18.216 -17.704 -6.575 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 17.146 -6.037 -8.635 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 17.896 -5.987 -9.225 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 16.426 -5.637 -9.125 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 -7.604 7.344 -21.841 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 -7.604 6.464 -21.461 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 -6.984 7.294 -22.561 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 24.053 -14.925 -4.104 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 23.233 -15.325 -4.384 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 24.023 -14.985 -3.144 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -15.489 -13.413 23.711 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -15.959 -12.673 24.071 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -15.179 -13.113 22.851 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 2.727 -10.854 5.901 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 3.067 -10.104 6.381 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 1.877 -10.564 5.571 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 -12.804 -23.291 -14.845 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 -12.824 -23.771 -14.015 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 -12.664 -23.971 -15.505 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 4.292 -19.594 8.515 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 3.752 -18.824 8.315 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 4.772 -19.344 9.305 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 -9.453 -16.684 -7.901 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 -9.513 -15.964 -7.271 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 -8.573 -17.024 -7.791 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -11.703 -7.509 8.908 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -12.653 -7.589 9.048 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -11.453 -6.759 9.448 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 20.912 5.627 20.189 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 20.372 4.857 20.299 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 21.292 5.547 19.319 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 3.344 -17.305 -23.013 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 3.824 -18.135 -23.043 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 3.304 -17.025 -23.933 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 -16.070 23.276 -10.359 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 -15.920 22.706 -11.119 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 -15.200 23.406 -9.979 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 12.029 23.807 9.645 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 12.829 23.487 10.075 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 12.259 23.897 8.725 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 3.014 -16.701 24.653 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 3.854 -16.921 24.243 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 2.534 -16.231 23.973 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 5.417 -19.813 -1.693 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 6.087 -20.473 -1.533 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 5.147 -19.523 -0.823 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 6.672 1.614 2.793 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 6.702 1.944 3.693 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 7.572 1.684 2.473 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 23.645 -23.497 -20.975 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 24.365 -23.767 -21.555 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 23.055 -23.007 -21.545 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 2.854 9.874 23.227 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 3.664 9.394 23.077 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 3.124 10.684 23.657 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 -8.054 -11.084 8.839 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 -7.464 -10.334 8.919 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 -8.824 -10.734 8.389 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 -10.086 -19.227 16.163 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 -9.356 -19.007 15.583 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 -9.696 -19.777 16.843 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 19.574 -23.980 13.863 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 20.104 -24.740 14.073 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 19.934 -23.270 14.383 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 13.912 -6.048 15.934 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 13.332 -6.748 16.234 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 13.362 -5.488 15.394 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 6.795 -1.304 25.075 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 5.935 -1.234 24.665 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 7.265 -1.944 24.535 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 13.775 24.984 -0.015 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 14.625 24.614 0.235 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 13.505 25.494 0.745 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -20.494 -6.256 -22.142 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -20.434 -5.306 -22.102 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -19.584 -6.556 -22.072 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -14.385 -0.338 -17.869 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -14.135 0.052 -18.709 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -15.065 0.242 -17.529 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -19.528 -9.376 3.153 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -19.498 -8.556 3.643 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -20.448 -9.636 3.173 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 -12.620 7.653 17.549 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 -13.380 8.223 17.669 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 -12.040 7.863 18.279 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 2.257 13.734 -12.821 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 2.017 13.314 -11.991 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 2.957 13.184 -13.171 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 -16.635 12.238 8.745 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 -16.195 11.738 8.055 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 -16.385 11.798 9.555 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -16.363 -9.895 3.103 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -17.123 -9.635 2.583 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -16.313 -9.235 3.793 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -16.548 -21.526 -23.489 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -16.968 -21.176 -24.269 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -16.268 -20.756 -22.989 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 -15.029 -2.228 16.714 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 -14.749 -1.958 17.584 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 -15.799 -1.678 16.535 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 0.057 1.232 10.689 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -0.893 1.332 10.739 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 0.377 2.102 10.439 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 12.525 15.704 -2.105 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 11.935 14.994 -1.855 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 11.945 16.384 -2.455 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 15.114 -4.982 11.034 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 15.644 -5.272 11.774 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 15.454 -5.452 10.285 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 10.805 12.186 20.645 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 10.645 11.996 21.565 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 11.755 12.256 20.575 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 -5.243 -21.726 5.348 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 -4.443 -21.386 4.968 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 -5.483 -21.076 6.018 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 25.146 17.805 16.303 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 24.736 18.265 17.033 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 25.186 18.455 15.603 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 14.351 -0.967 21.183 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 14.981 -0.337 21.533 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 14.311 -1.657 21.843 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 -2.407 -3.876 -18.592 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 -1.857 -4.626 -18.842 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 -2.797 -3.586 -19.422 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 22.443 23.033 24.531 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 21.983 23.193 25.361 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 22.173 22.153 24.271 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 -1.559 20.843 -17.272 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 -2.379 20.403 -17.482 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 -0.889 20.323 -17.722 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 22.552 -7.367 8.594 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 22.712 -6.667 9.224 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 22.762 -8.177 9.065 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 17.944 23.416 19.503 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 18.354 22.586 19.283 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 17.884 23.876 18.663 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 -11.896 -23.976 -18.567 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 -11.366 -24.626 -18.107 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 -11.636 -24.056 -19.487 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 -17.078 -6.401 -17.623 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 -17.018 -5.841 -16.853 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 -17.858 -6.081 -18.083 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 24.563 8.963 -8.833 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 23.783 9.183 -9.343 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 24.243 8.343 -8.173 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 1.004 -16.706 -16.576 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 1.414 -17.576 -16.566 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 1.164 -16.366 -15.696 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 13.606 -24.253 12.324 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 13.886 -25.013 11.834 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 14.206 -24.213 13.065 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 18.912 -16.127 -16.083 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 19.392 -15.537 -15.493 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 18.042 -16.187 -15.703 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 15.534 4.732 -3.298 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 15.084 5.282 -2.648 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 14.874 4.562 -3.968 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 -19.606 23.832 -19.399 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 -19.516 23.042 -18.869 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 -19.076 24.492 -18.949 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 5.647 -11.423 6.721 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 5.487 -12.333 6.471 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 4.807 -10.993 6.611 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 -2.914 6.189 14.481 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 -2.734 7.039 14.091 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 -3.334 6.399 15.321 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 11.809 -24.705 14.720 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 11.119 -24.045 14.730 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 12.549 -24.285 15.160 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 1.379 -2.625 -0.103 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 1.389 -3.305 -0.783 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 0.449 -2.415 0.007 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 22.022 -23.785 -2.255 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 21.422 -24.495 -2.015 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 21.922 -23.145 -1.555 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -13.208 -15.587 -0.385 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -13.048 -16.437 0.015 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -12.358 -15.327 -0.745 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.516 -11.314 -6.827 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.776 -11.024 -5.947 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -16.196 -11.934 -7.087 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 9.206 -2.176 -21.836 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 9.936 -1.846 -22.366 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 9.506 -3.036 -21.536 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 21.476 1.585 -7.295 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 21.266 1.575 -6.365 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 20.636 1.475 -7.735 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -24.724 -7.707 -7.521 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -24.184 -7.457 -6.771 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -24.924 -8.627 -7.381 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 -12.434 -25.145 -10.957 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 -12.364 -24.805 -10.067 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 -11.534 -25.195 -11.267 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 1.974 13.745 0.983 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 1.554 13.065 0.453 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 2.704 14.045 0.443 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 3.833 -14.488 -14.099 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 3.863 -15.378 -14.449 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 2.923 -14.228 -14.159 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -24.674 -10.576 4.751 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -24.514 -9.636 4.691 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -25.614 -10.676 4.571 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 24.046 9.083 -22.141 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 23.416 8.623 -21.581 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 23.496 9.573 -22.751 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -9.766 11.764 -18.007 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -8.856 11.504 -18.107 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -9.756 12.404 -17.297 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 8.394 -9.716 -8.029 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 8.604 -9.786 -7.099 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 7.684 -9.076 -8.059 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 9.497 24.975 1.059 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 10.237 25.395 0.599 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 8.737 25.205 0.529 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 22.213 5.357 -22.819 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 22.223 4.447 -23.109 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 21.623 5.367 -22.069 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 -3.694 -9.204 20.948 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 -4.034 -10.034 20.588 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 -4.394 -8.884 21.518 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 19.884 6.837 7.899 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 19.444 6.407 8.629 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 19.654 7.767 7.989 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 21.674 -1.127 6.407 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 20.974 -0.547 6.117 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 22.454 -0.567 6.467 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 2.471 9.246 4.023 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 1.661 9.296 3.513 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 2.291 8.576 4.693 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -7.096 15.290 -23.783 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -7.776 15.540 -23.153 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -7.446 15.570 -24.633 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 13.202 16.992 22.147 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 13.192 16.062 21.937 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 13.052 17.032 23.097 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -20.138 -19.248 21.507 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -19.808 -20.108 21.767 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -20.648 -19.418 20.717 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 -1.117 16.955 -15.457 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 -0.247 16.725 -15.127 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 -1.377 17.705 -14.927 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 18.861 -11.620 11.759 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 19.781 -11.420 11.589 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 18.861 -12.550 11.999 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -8.304 -21.847 -4.491 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -8.424 -22.197 -5.381 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -8.674 -22.507 -3.921 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.406 20.326 20.729 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.216 19.406 20.909 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 21.006 20.806 21.449 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -4.094 3.474 8.237 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -5.034 3.634 8.217 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -3.704 4.344 8.137 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 -2.429 -14.223 -21.699 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 -2.889 -14.863 -22.249 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 -2.509 -14.573 -20.809 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -22.466 -14.085 -8.457 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -22.856 -14.925 -8.197 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -21.526 -14.245 -8.437 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -16.135 -2.086 -0.697 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -15.325 -1.716 -1.047 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -16.815 -1.786 -1.297 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 -6.705 18.737 24.153 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 -7.085 19.567 24.443 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 -5.805 18.757 24.473 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 16.177 -20.026 15.885 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 16.387 -20.766 16.465 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 16.787 -20.126 15.145 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 12.872 -23.697 24.278 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 12.112 -23.647 24.848 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 13.052 -22.797 24.028 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 1.015 -18.169 13.377 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 1.955 -18.379 13.417 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 0.995 -17.229 13.177 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 -16.525 11.904 -14.483 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 -15.695 12.154 -14.073 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 -16.945 11.314 -13.853 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -12.646 -2.556 -12.785 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -12.586 -2.106 -13.635 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -11.766 -2.496 -12.425 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 21.705 13.842 -12.215 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 21.985 12.982 -11.895 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 20.875 13.672 -12.655 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -4.217 -25.457 -3.246 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -3.337 -25.247 -2.926 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -4.417 -24.757 -3.866 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 13.146 -21.796 -15.473 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 14.026 -21.576 -15.783 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 13.106 -21.456 -14.583 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 11.167 24.924 -18.999 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 11.197 24.264 -19.699 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 11.037 25.754 -19.469 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 -8.147 19.856 1.566 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 -7.977 19.166 0.916 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 -8.017 19.426 2.406 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 2.304 17.893 -16.995 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 1.534 17.703 -17.535 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 3.044 17.583 -17.515 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 24.776 -23.647 -7.483 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 24.526 -22.957 -8.093 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 25.666 -23.417 -7.213 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 8.160 7.546 4.244 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 9.020 7.476 4.674 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 7.900 8.456 4.364 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 23.716 -3.425 -24.113 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 24.156 -3.365 -24.963 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 24.086 -2.705 -23.603 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -11.717 -13.906 15.830 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -12.117 -13.706 16.670 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -11.787 -14.856 15.740 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 -7.335 -6.887 -16.647 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 -6.745 -7.527 -17.057 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 -8.165 -6.987 -17.117 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 21.329 10.896 -16.032 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 21.279 10.186 -15.382 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 20.419 11.066 -16.272 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -13.755 15.197 -16.657 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -13.045 15.127 -17.287 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -14.025 14.287 -16.507 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 -9.264 9.737 3.638 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 -9.154 8.787 3.568 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 -9.184 9.917 4.578 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -17.406 17.337 -17.513 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -17.336 18.037 -16.863 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -18.346 17.207 -17.623 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 -14.905 -18.625 -5.593 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 -14.315 -18.885 -6.293 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 -15.625 -18.185 -6.043 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 17.324 1.271 -17.133 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 17.954 0.741 -17.643 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 17.794 2.081 -16.953 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 -24.601 8.867 4.703 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 -25.051 9.677 4.933 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 -24.171 9.067 3.863 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 9.573 -22.387 -20.561 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 10.433 -22.277 -20.961 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 9.273 -23.247 -20.851 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 0.885 7.899 15.094 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 1.375 8.649 14.755 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 1.425 7.559 15.804 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.175 14.435 13.443 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 14.545 14.945 12.723 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 14.935 14.025 13.863 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 3.477 3.593 -2.117 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 4.037 4.173 -1.597 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 4.087 3.113 -2.677 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -13.205 -8.405 24.174 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -13.215 -9.335 23.944 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -14.035 -8.255 24.624 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 9.535 -10.875 -22.767 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 9.745 -10.885 -21.837 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 8.965 -10.115 -22.877 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 16.275 15.304 -5.716 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 15.335 15.444 -5.796 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 16.625 16.164 -5.456 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 -15.815 -21.015 3.293 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 -16.225 -20.155 3.203 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -15.175 -20.905 3.993 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 21.453 0.915 1.911 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 20.593 0.535 2.111 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.263 1.655 1.341 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 9.183 -8.438 3.104 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 8.833 -7.978 3.874 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 10.003 -8.828 3.404 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -15.484 -3.657 5.093 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -14.534 -3.637 5.133 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -15.674 -4.237 4.353 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 15.452 12.015 12.787 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 16.262 12.195 13.277 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 15.632 11.215 12.307 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -7.285 -18.578 -23.917 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -7.555 -19.458 -24.177 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -6.805 -18.238 -24.677 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -1.821 21.795 -9.109 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -2.451 21.155 -8.769 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -2.321 22.315 -9.739 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -20.877 19.103 10.568 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -21.837 19.083 10.588 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -20.617 18.953 11.468 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 20.273 -9.907 5.793 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 20.813 -10.697 5.773 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 19.493 -10.127 5.293 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 19.573 7.753 0.207 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 19.963 7.933 -0.653 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 20.283 7.893 0.827 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 -24.271 -20.438 -8.036 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 -25.141 -20.618 -8.396 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 -23.761 -20.158 -8.796 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 -20.523 -9.118 15.861 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 -19.593 -9.028 15.621 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 -20.993 -8.648 15.171 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -20.144 2.012 23.117 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -20.394 1.102 23.267 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -20.444 2.202 22.227 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -2.545 5.663 7.602 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -2.485 6.113 6.762 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -2.815 6.343 8.222 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 24.176 13.257 1.859 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 25.086 13.487 1.639 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 24.216 12.347 2.139 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 4.079 6.043 19.075 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 3.949 6.953 18.815 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 4.589 5.663 18.365 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 15.833 -6.346 20.207 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 16.413 -6.796 20.817 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 16.413 -5.976 19.547 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -14.727 -6.804 21.705 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -15.427 -6.984 22.325 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -14.287 -6.034 22.055 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 -17.893 -16.959 3.561 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 -17.793 -17.029 4.511 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 -17.373 -16.189 3.331 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 7.619 -10.225 -17.229 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 7.089 -10.995 -17.449 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 7.529 -9.655 -17.979 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 -20.394 -18.777 -0.712 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 -20.544 -19.487 -0.072 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 -20.914 -19.027 -1.472 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 -24.444 -4.648 24.138 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 -24.254 -3.838 24.618 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 -24.154 -4.468 23.238 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 22.376 20.544 -17.127 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 21.766 20.994 -17.717 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 22.366 19.634 -17.427 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -7.685 -4.335 20.081 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -7.975 -3.925 19.271 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -6.735 -4.275 20.051 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 -10.554 -20.960 25.259 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 -10.134 -21.550 24.639 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 -10.854 -20.220 24.729 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 -22.967 -1.380 -5.136 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 -22.027 -1.230 -5.266 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 -23.027 -1.750 -4.246 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 9.582 9.528 19.696 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 9.542 9.178 20.596 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 9.912 10.418 19.806 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 6.626 10.740 -24.459 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 6.786 9.820 -24.689 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 6.946 11.230 -25.219 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 -22.185 -22.788 1.073 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 -22.085 -21.978 1.563 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 -21.305 -22.988 0.753 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 5.623 -21.777 22.158 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 4.793 -22.177 21.908 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 5.783 -21.127 21.468 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 -2.313 -21.115 -2.401 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 -2.853 -21.285 -3.181 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 -2.333 -20.165 -2.291 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 -13.633 -18.675 -25.297 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 -13.523 -17.875 -25.817 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 -13.053 -18.555 -24.547 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 -20.547 21.532 -1.251 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 -20.397 20.662 -0.871 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 -21.187 21.942 -0.681 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 11.977 22.125 0.045 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 11.027 22.275 0.065 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 12.117 21.415 0.665 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 22.747 21.161 4.924 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 23.277 20.641 5.534 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 21.887 20.741 4.934 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 15.194 -3.574 -13.533 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 14.384 -3.294 -13.093 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 15.574 -2.764 -13.863 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 -19.473 -2.904 17.411 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 -19.323 -3.154 16.501 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 -18.813 -2.234 17.591 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 0.226 14.097 -10.545 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 0.006 14.167 -11.475 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 -0.424 14.637 -10.095 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 -19.010 17.199 21.299 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 -19.810 17.329 21.789 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 -18.310 17.269 21.949 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 17.094 -14.045 21.633 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 17.814 -13.415 21.723 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 16.884 -14.295 22.533 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 -4.900 4.896 23.309 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 -4.090 4.996 23.809 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -5.290 4.086 23.649 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 1.237 17.615 20.699 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 1.827 16.865 20.639 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 0.687 17.545 19.909 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 -22.795 3.225 13.668 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 -21.875 3.195 13.408 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 -23.165 3.945 13.148 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 -8.723 -8.936 -4.511 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 -8.583 -7.986 -4.471 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 -9.673 -9.026 -4.611 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -2.577 2.122 10.283 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -2.397 2.752 10.973 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -2.537 2.632 9.473 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 -10.564 24.455 -5.809 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 -11.064 23.885 -5.229 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 -9.754 23.975 -5.989 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 -12.953 7.766 -24.576 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 -13.493 7.126 -25.046 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 -13.403 7.886 -23.736 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 5.174 -9.225 16.718 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 5.764 -9.695 16.128 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 5.714 -9.015 17.478 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 7.316 5.695 -7.665 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 8.046 5.225 -7.275 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 7.456 6.605 -7.425 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 17.602 1.152 10.285 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 18.332 1.732 10.505 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 17.892 0.682 9.505 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 -13.497 21.264 5.975 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 -14.247 21.284 6.575 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 -13.297 20.334 5.875 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -4.536 6.964 -1.578 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -5.246 7.584 -1.388 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -3.856 7.504 -1.978 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 22.973 24.744 -8.379 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 23.573 25.404 -8.029 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 23.023 24.034 -7.739 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 -0.104 -8.581 11.377 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 -0.994 -8.321 11.627 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 -0.064 -8.391 10.437 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 16.853 4.434 -8.407 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 16.923 3.514 -8.137 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 16.233 4.424 -9.127 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 -19.289 9.255 11.367 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 -18.449 9.415 10.917 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 -19.939 9.295 10.677 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -16.736 -4.934 -24.483 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -17.566 -4.454 -24.393 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -16.236 -4.694 -23.693 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 16.793 16.576 -12.917 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 16.713 16.036 -12.127 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 16.983 17.456 -12.587 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -23.488 -7.056 7.453 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -24.128 -7.386 6.823 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -23.778 -6.166 7.643 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -10.465 -7.089 5.791 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -10.665 -6.299 6.301 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -10.505 -7.799 6.431 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -19.896 -15.820 19.997 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -19.456 -15.950 19.157 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -19.216 -15.940 20.647 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 3.507 -22.188 -2.477 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.027 -21.398 -2.627 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 2.707 -21.868 -2.057 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.461 -20.138 -22.567 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.151 -20.228 -23.467 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.681 -19.938 -22.057 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 12.002 -17.486 1.081 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 11.092 -17.216 1.061 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 12.492 -16.706 0.791 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -6.747 -10.159 11.911 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -7.567 -10.049 11.431 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -6.347 -9.289 11.921 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 4.624 -10.274 9.245 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 5.034 -10.554 8.435 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 4.064 -9.534 8.995 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 2.056 -15.128 -18.847 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 2.106 -15.638 -18.037 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 1.566 -15.678 -19.457 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 -5.507 -14.077 -5.925 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 -5.997 -14.767 -5.465 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 -5.797 -14.147 -6.835 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 22.340 -2.066 1.773 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 23.010 -1.386 1.893 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 21.540 -1.576 1.593 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -9.009 11.486 -24.544 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -8.959 10.616 -24.134 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -9.529 11.336 -25.334 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -4.355 -8.653 3.995 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -4.125 -8.933 3.115 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -5.295 -8.843 4.075 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -4.903 4.670 17.303 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -4.463 4.060 16.703 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -4.183 5.090 17.783 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -1.486 0.376 -17.529 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -2.396 0.096 -17.659 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -1.526 0.966 -16.779 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -1.937 22.881 15.409 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -1.877 22.101 15.969 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -1.027 23.121 15.239 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -24.465 22.237 11.725 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -24.225 23.017 11.235 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -23.635 21.847 11.985 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 5.526 7.882 -22.441 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 4.946 7.212 -22.821 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 6.216 7.382 -22.011 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -0.794 8.051 -2.459 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -1.244 7.871 -3.289 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 0.076 7.671 -2.569 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 -24.879 -5.167 10.663 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 -25.609 -5.797 10.603 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 -24.869 -4.747 9.803 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 22.429 -24.359 -10.856 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 21.609 -23.939 -11.106 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 22.219 -24.839 -10.056 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 17.055 -24.126 10.094 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 16.165 -24.006 9.754 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 17.595 -23.566 9.534 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 19.876 24.107 5.024 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 20.776 24.307 4.774 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 19.866 23.157 5.134 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 24.040 13.567 20.697 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 24.800 13.487 20.117 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 23.280 13.487 20.117 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -8.829 -9.193 -22.521 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -8.649 -10.013 -22.981 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -9.779 -9.113 -22.521 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 1.735 -15.915 15.647 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 0.995 -15.835 15.047 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 2.395 -15.315 15.297 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 -1.409 13.353 24.051 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 -0.949 12.513 24.101 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 -2.219 13.213 24.541 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 -15.925 -18.533 18.777 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 -15.725 -19.343 18.317 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 -16.825 -18.643 19.077 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 -8.276 -1.697 12.199 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 -9.206 -1.487 12.229 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 -7.936 -1.417 13.049 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 -19.005 21.657 -4.767 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 -18.585 22.207 -5.417 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 -19.915 21.957 -4.747 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.586 21.863 -6.415 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.926 21.993 -5.535 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -7.206 22.323 -6.985 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -0.410 0.213 24.041 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -0.600 -0.697 24.241 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 0.030 0.553 24.821 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 6.730 -19.548 -11.261 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 7.340 -18.838 -11.051 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 5.910 -19.098 -11.471 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -15.694 8.436 -21.333 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -15.454 9.346 -21.533 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -16.494 8.286 -21.833 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -7.803 -21.174 -24.053 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -7.243 -21.924 -23.873 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -8.673 -21.544 -24.153 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 -19.535 11.222 -19.925 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 -19.875 11.582 -20.745 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 -19.355 10.302 -20.125 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -24.715 15.346 -5.485 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -24.225 14.796 -6.095 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -25.325 14.756 -5.055 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 4.801 8.315 10.373 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 5.371 8.195 9.623 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 4.711 9.265 10.463 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 18.402 -24.475 -14.643 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 19.152 -23.915 -14.453 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 17.852 -23.955 -15.223 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 -22.866 -23.175 18.091 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 -22.986 -23.155 19.031 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 -23.746 -23.185 17.721 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -6.674 2.927 -16.308 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -7.554 3.227 -16.538 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -6.814 2.157 -15.758 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -19.625 -8.374 19.978 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -20.575 -8.364 19.868 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -19.485 -8.904 20.768 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 12.855 -20.785 24.705 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 13.485 -20.345 24.135 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 12.165 -20.145 24.845 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -21.746 23.255 -5.315 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -22.306 22.485 -5.265 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -22.196 23.845 -5.915 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 7.445 12.047 11.831 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 8.075 11.337 11.791 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 7.975 12.837 11.941 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 17.571 13.077 4.381 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 16.911 12.577 4.871 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 17.631 12.627 3.531 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 -10.037 24.260 18.699 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 -10.207 24.920 19.369 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 -10.857 23.760 18.639 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 7.023 -10.107 15.139 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 6.903 -9.227 14.799 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 6.643 -10.677 14.469 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 19.294 20.677 -21.933 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 18.704 19.917 -21.953 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 18.764 21.397 -22.273 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 11.665 -19.037 -6.350 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 12.205 -19.407 -5.650 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 11.205 -19.787 -6.720 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 15.817 -17.306 -12.669 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 15.027 -16.766 -12.629 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 16.127 -17.346 -11.759 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 24.385 -3.122 5.460 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 23.845 -2.402 5.780 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 25.075 -2.702 4.940 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 2.689 22.220 4.485 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 2.539 21.560 3.814 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 2.639 23.060 4.024 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 20.454 -18.140 5.609 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 20.574 -17.290 5.169 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 20.124 -17.920 6.479 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 21.021 -3.259 -3.759 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 20.981 -2.699 -4.529 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 20.731 -4.119 -4.069 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 4.413 19.084 16.903 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 5.063 19.774 17.053 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 4.383 18.984 15.953 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 10.526 0.302 -7.753 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 9.816 0.332 -8.403 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 10.306 -0.448 -7.193 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 12.285 -16.155 -8.196 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 12.685 -16.995 -8.386 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 11.345 -16.325 -8.216 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -22.723 -1.056 -12.567 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -23.273 -0.966 -11.797 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -22.593 -0.156 -12.877 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 -6.588 11.616 -18.339 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 -6.638 10.876 -18.949 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 -5.958 11.336 -17.669 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 6.803 2.814 11.969 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 7.513 2.754 11.339 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 6.043 3.074 11.449 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 -8.485 22.562 4.723 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 -8.285 23.492 4.603 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 -7.765 22.102 4.293 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 -11.024 2.784 -20.829 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 -10.724 2.884 -19.929 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 -11.914 3.124 -20.829 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -3.778 3.465 -10.021 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -3.328 4.145 -10.531 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -4.598 3.875 -9.741 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 10.752 20.466 -20.885 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 10.082 20.636 -20.225 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 11.522 20.956 -20.595 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -19.923 -0.973 11.561 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -20.553 -1.183 10.871 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -19.203 -0.533 11.101 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 15.566 19.147 22.513 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 15.256 19.697 23.233 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 15.336 19.627 21.723 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -3.917 6.855 -23.359 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -4.597 7.355 -23.819 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -3.997 5.965 -23.709 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 16.735 -8.476 -0.445 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.405 -8.006 -0.955 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.615 -7.936 0.345 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -17.487 9.226 6.589 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -18.357 9.536 6.849 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -17.567 8.266 6.609 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 24.396 -6.634 24.927 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 25.136 -6.194 24.517 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 23.776 -6.784 24.207 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 13.907 8.076 18.171 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 13.407 7.946 17.361 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 14.687 8.566 17.891 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 -20.667 -4.885 18.961 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 -20.437 -4.825 19.891 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 -20.117 -4.225 18.541 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 17.124 -24.477 12.898 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 17.224 -24.407 11.948 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 18.004 -24.627 13.218 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 -1.695 24.911 -19.503 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 -1.625 24.831 -18.553 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 -1.915 25.831 -19.653 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -22.593 1.984 -5.211 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -22.453 1.324 -4.531 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -23.533 1.964 -5.371 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 9.312 -22.649 -2.492 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 9.522 -22.189 -1.672 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.152 -23.009 -2.782 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 -10.453 -19.786 -0.291 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 -10.503 -19.746 -1.251 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 -10.263 -20.706 -0.101 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -21.374 5.157 25.201 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -20.714 4.537 25.521 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -21.424 4.987 24.261 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 17.476 12.013 -16.055 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 16.886 12.473 -16.655 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 17.026 12.053 -15.215 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -13.120 23.445 20.429 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -13.250 24.115 21.099 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -12.790 23.935 19.669 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 24.522 -4.415 14.228 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 24.372 -5.075 14.908 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 25.012 -3.725 14.678 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 21.476 -22.365 -17.317 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 21.876 -22.705 -18.117 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 20.586 -22.715 -17.337 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 -23.051 -7.038 11.597 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 -23.141 -6.728 12.497 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 -23.681 -6.518 11.097 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 7.396 -15.597 -13.891 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 8.256 -16.027 -13.901 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 7.046 -15.747 -14.771 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 13.954 -25.301 -4.685 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 13.904 -24.921 -5.566 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 14.434 -24.651 -4.176 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 13.056 -22.784 -6.477 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 12.206 -23.204 -6.597 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 12.866 -21.974 -6.007 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 -16.988 15.567 -25.211 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 -16.908 14.837 -24.591 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 -16.178 16.077 -25.081 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -7.517 -9.269 19.354 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -8.167 -9.669 18.764 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -7.527 -8.339 19.124 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -24.906 -12.913 -12.049 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -24.876 -12.383 -12.849 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -24.066 -13.383 -12.039 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 -12.749 16.831 -11.819 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 -11.909 16.801 -11.359 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 -12.949 17.761 -11.879 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -11.774 -4.597 9.614 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -10.864 -4.407 9.864 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -12.294 -4.137 10.274 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 6.431 5.322 24.223 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 5.871 4.862 23.593 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 6.621 4.672 24.903 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -5.488 12.096 -8.103 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -6.158 11.676 -7.563 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -5.358 12.956 -7.703 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -1.516 8.084 -16.143 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -0.876 7.844 -15.473 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -2.366 8.014 -15.703 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 16.217 -11.786 -1.027 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 16.817 -11.036 -1.057 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 15.457 -11.496 -1.527 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -5.753 -5.513 -21.055 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -6.583 -5.793 -21.425 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -5.573 -6.153 -20.365 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 -6.897 -21.344 1.855 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 -6.777 -20.464 1.495 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 -6.267 -21.884 1.395 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 13.171 4.906 7.991 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 12.991 3.976 8.081 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 14.111 4.956 7.801 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 10.366 -11.871 10.365 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 9.966 -11.371 9.655 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 11.076 -11.321 10.685 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -21.033 0.164 -8.807 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -20.523 -0.146 -9.557 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -21.653 -0.536 -8.627 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 8.042 -6.585 16.859 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 8.922 -6.255 16.719 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 7.552 -6.295 16.079 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -22.073 -9.608 4.013 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -22.443 -8.788 3.683 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -22.813 -10.228 3.983 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -12.059 -11.678 -6.607 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -12.359 -12.268 -5.907 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -11.209 -12.028 -6.857 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 5.606 -8.763 -8.657 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 5.736 -8.923 -9.587 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 4.976 -9.433 -8.387 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -0.146 18.816 -25.007 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 0.314 19.496 -25.497 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 0.364 18.736 -24.197 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -11.544 -6.587 -20.932 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -11.724 -6.907 -20.052 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -11.964 -5.737 -20.972 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 21.844 -5.015 0.769 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.524 -5.285 1.379 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 21.534 -4.165 1.109 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 22.522 -22.419 21.787 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 22.732 -23.259 22.187 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 21.622 -22.519 21.467 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 8.179 -10.627 6.075 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 8.609 -11.457 6.255 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 7.269 -10.767 6.325 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -6.337 -4.554 -0.477 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -7.237 -4.714 -0.757 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -5.787 -4.944 -1.157 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 0.423 2.453 18.319 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 0.593 1.993 19.139 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -0.437 2.123 18.039 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -17.087 19.073 2.201 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -16.417 19.703 2.471 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -17.827 19.253 2.781 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 24.461 -21.926 -0.621 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 24.051 -22.306 -1.401 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 24.931 -22.666 -0.211 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 1.356 -21.568 -1.021 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 0.496 -21.938 -1.221 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 1.226 -20.618 -1.101 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.925 1.087 15.039 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 10.535 1.867 14.629 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 11.865 1.267 15.019 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 17.257 -9.398 16.544 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 16.837 -8.548 16.714 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 17.747 -9.258 15.724 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 -0.517 20.125 -7.181 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 -0.937 19.515 -7.791 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 -1.067 20.915 -7.211 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -8.507 -6.696 -11.607 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -8.127 -6.396 -12.437 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -8.827 -7.576 -11.797 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 20.843 -24.889 24.335 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 21.763 -24.959 24.595 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 20.443 -25.709 24.635 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 -7.545 -17.185 -1.266 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 -7.035 -16.525 -0.795 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 -8.045 -17.625 -0.586 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -18.473 -19.935 -24.961 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -17.643 -19.635 -25.311 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -18.673 -19.325 -24.251 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -12.937 18.952 -18.277 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -12.847 18.122 -18.737 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -12.967 18.702 -17.347 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 14.169 23.171 -16.967 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 13.319 23.211 -16.527 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 14.799 23.471 -16.307 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 9.847 19.837 5.671 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 9.937 20.587 6.251 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 9.247 20.137 4.991 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 23.394 9.746 0.787 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 22.814 10.256 0.207 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 23.064 8.856 0.737 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 0.582 1.612 -23.723 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 1.472 1.902 -23.563 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 0.432 0.912 -23.083 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -8.228 0.653 -16.773 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -9.138 0.903 -16.603 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -8.278 0.093 -17.553 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 -19.166 -11.886 -24.513 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 -19.686 -11.506 -25.223 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 -19.576 -11.546 -23.713 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 -17.154 -6.473 -14.236 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 -17.894 -7.063 -14.066 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 -16.964 -6.083 -13.386 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 10.935 -18.689 24.273 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 10.885 -18.049 23.563 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 10.665 -19.519 23.873 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -17.275 -13.467 -19.233 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -17.655 -13.757 -20.063 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -17.415 -12.527 -19.213 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 -9.133 -23.596 -24.671 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 -9.113 -23.796 -25.611 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 -9.793 -24.196 -24.321 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 14.752 -1.877 5.177 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 14.612 -2.577 5.817 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 14.142 -2.067 4.467 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -23.204 10.875 23.165 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -23.304 11.825 23.245 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -23.924 10.605 22.585 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.684 -1.855 6.007 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -3.234 -2.625 5.657 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.694 -1.235 5.287 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 -0.495 -24.484 -11.443 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 -0.205 -24.134 -10.603 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 -1.245 -23.944 -11.683 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -9.091 -13.518 -12.116 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -9.281 -14.438 -11.946 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -8.181 -13.408 -11.856 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -18.405 -12.665 19.946 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -19.225 -12.495 20.416 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -18.275 -13.605 20.036 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 10.125 -22.696 -10.483 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 10.145 -23.216 -11.283 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 9.305 -22.966 -10.053 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 -19.043 17.815 -21.725 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 -18.283 17.255 -21.595 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 -19.333 18.025 -20.835 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 15.442 -22.979 18.958 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 15.792 -22.739 19.818 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 14.982 -22.199 18.658 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 20.113 8.582 19.219 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 19.243 8.232 19.419 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 19.943 9.362 18.699 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 7.706 -14.896 -1.607 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 6.886 -15.246 -1.267 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 8.286 -15.646 -1.657 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 16.033 -2.738 19.447 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 15.583 -3.528 19.737 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 15.613 -2.028 19.927 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 13.176 13.583 21.565 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 13.536 12.853 21.055 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 13.656 13.563 22.395 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 -21.580 7.177 1.415 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 -21.880 7.817 0.765 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 -22.370 6.957 1.905 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -16.593 21.826 -24.827 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -17.083 21.466 -24.097 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -16.823 22.756 -24.837 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 15.116 -25.334 6.510 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 14.266 -24.944 6.700 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 15.476 -24.804 5.800 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 8.706 23.895 -24.223 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 8.636 23.925 -23.273 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 7.896 23.465 -24.503 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 -5.406 3.974 -22.939 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 -5.756 4.314 -22.119 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 -6.176 3.764 -23.459 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 0.277 -19.814 -13.343 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 0.727 -19.594 -12.533 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 -0.073 -20.694 -13.203 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -10.927 -1.097 -20.189 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -10.887 -1.417 -19.289 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -10.017 -0.967 -20.449 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -18.794 16.903 18.051 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -19.174 17.613 18.561 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.974 17.273 17.711 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 -13.147 -10.799 23.101 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 -12.257 -11.129 22.971 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 -13.657 -11.199 22.401 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 -17.353 10.524 21.307 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 -17.773 10.504 20.447 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 -16.823 11.314 21.297 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 7.935 -2.219 -12.526 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 7.875 -3.169 -12.406 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 8.275 -2.109 -13.406 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -12.761 15.251 5.129 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -12.501 14.961 4.259 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -13.681 14.991 5.209 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -8.319 4.914 -18.079 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -7.689 4.404 -18.589 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -8.219 5.814 -18.409 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -19.544 4.134 15.815 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -19.484 4.474 14.925 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -19.134 4.794 16.355 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 11.874 -8.476 15.524 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 12.024 -8.666 16.454 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 11.874 -9.336 15.104 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -24.955 11.021 -3.731 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -25.525 11.771 -3.881 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -24.675 10.761 -4.611 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -5.016 -8.834 -8.151 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -5.346 -8.094 -8.661 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -5.666 -8.954 -7.451 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 -9.206 -8.527 -17.717 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 -10.146 -8.447 -17.847 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 -9.096 -9.377 -17.287 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -3.624 10.633 22.269 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -4.444 10.313 22.659 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -3.154 11.033 22.999 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -24.457 12.920 -0.656 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -24.167 13.350 -1.466 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -23.847 13.230 0.014 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -10.431 19.947 -0.939 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -10.331 19.497 -0.109 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -10.551 20.867 -0.699 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 6.184 16.566 -1.267 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 5.814 17.406 -1.007 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 5.854 15.956 -0.607 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 -18.436 20.547 21.101 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 -18.056 20.197 21.901 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 -17.906 20.187 20.391 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 22.444 15.541 -14.331 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 22.014 14.941 -13.731 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 22.044 15.371 -15.181 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 3.343 3.873 -10.141 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 3.613 3.523 -9.291 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 3.863 3.383 -10.781 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.185 -3.478 -22.427 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.475 -2.578 -22.567 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -15.495 -3.708 -21.557 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -21.851 15.507 -1.465 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -21.141 14.867 -1.475 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -22.321 15.347 -2.285 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 3.085 16.934 -1.405 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 3.585 17.644 -1.795 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 2.335 17.364 -0.995 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 16.146 -13.191 15.569 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 15.936 -14.101 15.379 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 17.096 -13.141 15.519 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 22.780 23.723 -0.147 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 22.880 24.663 -0.007 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 22.570 23.643 -1.077 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 19.636 -23.268 -6.085 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 18.926 -23.898 -5.965 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 20.016 -23.488 -6.945 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 -15.544 12.712 -11.821 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 -15.314 13.602 -11.571 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 -16.404 12.562 -11.421 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 6.395 -8.145 22.111 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 6.565 -9.045 22.401 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 7.245 -7.835 21.791 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 -24.325 4.922 -11.895 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 -23.775 5.572 -11.455 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 -25.155 4.952 -11.425 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 18.726 -11.037 -19.871 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 19.296 -10.617 -19.231 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 19.156 -11.877 -20.061 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 15.196 -20.525 -16.941 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 15.166 -20.135 -17.821 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 14.596 -19.985 -16.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 17.262 11.758 7.359 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 17.232 11.448 8.269 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 17.532 12.668 7.429 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -22.157 9.495 3.027 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -21.557 8.745 3.007 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -21.697 10.185 2.557 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 -10.624 -24.985 -2.619 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 -9.924 -24.405 -2.939 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 -10.194 -25.525 -1.949 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 -15.803 -11.326 18.333 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 -16.693 -11.266 18.003 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 -15.423 -10.466 18.163 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 16.024 24.434 -22.571 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 15.444 24.874 -23.191 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 16.104 25.054 -21.841 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -17.493 -4.227 18.593 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -18.203 -3.597 18.463 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -17.443 -4.707 17.773 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 2.975 -5.097 14.961 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 3.675 -4.477 15.141 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 3.135 -5.387 14.061 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -18.524 -24.087 22.901 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -17.854 -23.937 23.571 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -19.314 -23.697 23.261 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 5.511 -3.086 -21.827 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 6.011 -2.376 -22.227 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 6.151 -3.776 -21.657 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 -23.056 16.937 -15.853 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 -23.916 17.257 -15.573 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 -22.946 16.117 -15.363 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 0.350 -11.945 -1.769 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 -0.090 -11.095 -1.739 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 1.130 -11.775 -2.319 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 3.062 -8.265 20.845 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 2.292 -7.985 21.345 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 3.722 -7.605 21.035 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 24.886 6.224 9.014 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 24.606 5.964 8.134 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 25.586 5.614 9.235 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -11.825 12.637 -5.847 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -11.885 11.997 -6.557 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -12.605 12.497 -5.317 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 -10.785 10.754 -11.641 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 -11.625 10.474 -12.001 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 -10.135 10.274 -12.151 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 -21.320 24.034 13.419 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 -22.220 23.914 13.709 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 -21.340 24.854 12.919 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 -4.231 0.217 20.664 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 -3.321 0.087 20.404 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 -4.741 -0.233 19.984 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 -20.270 16.015 -17.269 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 -21.150 16.225 -16.959 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 -19.910 15.425 -16.599 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 16.045 21.025 -12.944 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 15.365 21.695 -12.904 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 16.385 21.065 -13.834 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 -4.047 -18.117 4.279 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 -4.587 -17.477 4.749 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 -3.737 -18.717 4.949 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 11.473 24.345 -1.466 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 11.753 23.605 -0.926 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 12.283 24.795 -1.706 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 11.137 -13.894 -18.419 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 10.577 -13.374 -17.839 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 10.727 -14.764 -18.409 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 9.684 21.231 2.899 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 9.904 22.151 3.039 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 10.504 20.821 2.619 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 -10.058 3.970 21.306 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 -10.668 3.400 20.846 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 -9.198 3.720 20.976 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 -16.588 17.935 16.385 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 -16.038 17.545 15.695 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 -17.388 18.195 15.925 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 6.654 -5.457 20.331 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 7.584 -5.247 20.461 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 6.434 -5.017 19.511 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 24.353 -15.996 21.063 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 25.173 -16.486 21.003 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 23.693 -16.586 20.713 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 -11.054 -5.943 17.398 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 -11.784 -6.573 17.368 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 -11.354 -5.203 16.868 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 -4.875 24.196 -23.803 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 -4.915 25.006 -24.323 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 -4.255 23.636 -24.283 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 -24.906 -0.755 -0.605 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 -25.526 -0.485 -1.285 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 -25.096 -1.685 -0.465 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 16.445 -11.238 -23.269 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 16.805 -11.648 -24.049 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 17.135 -11.318 -22.609 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 -9.934 20.847 11.278 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 -9.364 20.277 11.808 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 -9.424 21.007 10.488 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -13.431 -18.195 -20.235 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -13.331 -17.815 -21.105 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -14.131 -17.685 -19.835 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 -11.504 -12.028 6.810 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 -10.784 -11.948 6.190 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 -12.284 -11.738 6.330 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 11.534 10.076 -12.233 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 11.004 9.506 -12.793 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 10.904 10.446 -11.613 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 -19.673 -18.035 9.271 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 -19.193 -18.705 8.781 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 -20.063 -18.515 10.001 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -23.217 -11.018 -19.035 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -23.637 -10.168 -19.085 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -23.307 -11.388 -19.915 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 8.994 -19.598 -20.229 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 9.094 -20.518 -20.479 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 8.814 -19.148 -21.059 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 -23.974 5.547 -5.409 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 -23.104 5.927 -5.289 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 -24.324 5.477 -4.529 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -13.216 18.623 17.187 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -13.956 18.753 16.597 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -12.626 18.043 16.697 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 25.045 -20.606 -12.495 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 25.125 -21.526 -12.255 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 24.945 -20.616 -13.455 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 8.144 -6.518 -8.867 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 8.734 -6.728 -8.147 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 7.964 -7.358 -9.277 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 4.684 -20.225 -20.211 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 4.454 -20.685 -21.011 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 3.844 -19.945 -19.841 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 18.745 14.492 -9.419 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 18.715 14.842 -10.309 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 19.635 14.672 -9.129 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 5.932 -4.568 11.925 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 5.842 -4.338 11.005 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 5.092 -4.318 12.315 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 6.869 19.683 -13.855 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 7.329 19.523 -14.675 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 6.289 20.423 -14.055 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -18.807 16.445 4.307 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -18.867 16.395 3.357 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -18.107 15.825 4.537 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 18.236 -1.147 -0.405 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 19.086 -0.747 -0.565 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 18.286 -1.997 -0.865 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 11.642 -13.588 16.567 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 11.382 -13.238 15.707 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 12.342 -14.208 16.367 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 -21.929 -17.019 18.661 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 -21.359 -16.409 19.131 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 -21.829 -16.769 17.741 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 11.325 -7.908 -12.207 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 11.925 -8.648 -12.117 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 11.885 -7.128 -12.127 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -11.545 24.417 8.288 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -10.605 24.227 8.268 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -11.945 23.747 7.738 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 2.254 19.195 3.691 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 3.024 19.105 4.241 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 2.054 18.295 3.421 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 -16.195 13.463 -3.807 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 -16.295 14.383 -4.057 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 -15.255 13.363 -3.647 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 -22.475 21.244 13.231 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 -22.445 21.164 14.181 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 -21.565 21.374 12.971 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -6.725 8.672 -4.489 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -6.635 7.762 -4.769 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -7.025 8.612 -3.579 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 -0.575 -21.420 10.803 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 -0.765 -20.520 10.543 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 0.295 -21.600 10.453 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 18.506 -5.197 21.203 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 19.036 -4.487 20.853 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 18.746 -5.247 22.133 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 -19.983 -2.940 24.759 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 -20.573 -2.350 25.229 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 -19.133 -2.840 25.199 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -22.043 2.816 -9.361 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -22.413 3.526 -8.841 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -21.433 2.376 -8.771 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 11.135 13.077 -2.421 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 11.635 12.507 -1.831 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 10.705 12.477 -3.021 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 22.383 6.866 -0.446 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 23.173 7.346 -0.706 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 22.383 6.896 0.514 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 23.906 6.658 -24.619 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 23.526 6.218 -23.859 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 24.846 6.678 -24.429 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 5.462 -12.417 -12.989 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 4.802 -12.147 -12.349 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 4.982 -12.967 -13.609 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 24.057 21.311 8.638 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 24.117 21.061 9.558 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 24.447 22.181 8.598 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 18.484 -7.446 19.119 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 18.724 -7.236 20.019 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 19.074 -6.916 18.579 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 2.185 -5.637 -23.559 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 2.105 -4.687 -23.609 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 2.075 -5.927 -24.469 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 -15.746 -13.298 -12.085 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 -15.536 -13.298 -11.155 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 -15.386 -14.118 -12.415 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 5.827 14.032 3.495 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 5.597 13.352 4.115 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 5.927 13.582 2.655 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -14.107 -21.164 16.474 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -13.327 -21.644 16.754 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -14.827 -21.784 16.604 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 19.733 1.816 -19.348 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 19.903 1.106 -18.738 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 19.363 2.516 -18.818 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 -18.657 12.554 -10.014 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 -19.437 12.004 -9.964 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 -18.337 12.614 -9.114 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -24.356 23.353 2.775 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -24.896 22.653 2.405 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -23.906 22.953 3.505 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 18.261 24.393 -12.451 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 17.521 24.713 -11.941 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 18.051 24.623 -13.361 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -22.295 -8.055 19.619 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -22.555 -8.235 18.719 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -23.005 -7.535 19.989 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 4.415 -12.287 14.181 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 3.605 -12.807 14.121 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 4.655 -12.327 15.101 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 -9.054 -14.324 18.865 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 -8.614 -14.474 18.025 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 -9.604 -15.094 18.995 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 8.686 22.837 -20.457 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 9.536 22.657 -20.877 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 8.346 23.607 -20.907 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -5.976 -1.089 23.455 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -5.376 -0.729 22.805 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -6.806 -1.189 22.985 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 -1.283 -16.976 -22.889 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 -0.603 -17.526 -22.499 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 -2.003 -16.986 -22.249 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 1.942 9.823 -20.001 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 2.172 9.283 -20.751 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 1.452 9.243 -19.421 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -25.346 -12.656 -2.581 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -25.406 -12.376 -1.671 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -24.456 -12.996 -2.671 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 -22.698 -3.406 8.791 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 -21.998 -2.776 8.641 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 -22.288 -4.266 8.661 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.945 15.254 -23.107 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 8.865 15.454 -22.957 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 7.495 15.594 -22.327 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 13.994 -5.159 1.081 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 13.584 -5.889 0.611 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 13.614 -5.179 1.951 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 9.389 -0.418 -1.159 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 9.489 -0.408 -0.209 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 9.249 0.502 -1.399 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 -16.013 -14.029 17.873 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 -15.113 -14.199 17.593 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 -16.103 -13.079 17.833 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 -8.029 17.675 -20.771 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 -8.909 17.395 -21.031 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 -7.639 16.905 -20.361 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 22.866 2.643 23.297 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 23.806 2.623 23.507 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 22.676 1.743 23.027 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 22.176 -12.488 19.245 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 22.646 -12.068 18.525 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 22.746 -13.208 19.525 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 10.904 -2.037 22.539 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 11.014 -2.707 23.209 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 10.664 -2.527 21.759 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 -0.685 -12.765 -16.025 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 -1.225 -12.555 -15.265 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 -1.315 -12.955 -16.725 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 1.085 5.551 -20.662 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 1.265 5.381 -21.582 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 0.465 4.871 -20.402 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -20.626 0.842 20.304 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -20.486 -0.098 20.204 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -20.246 1.222 19.504 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -25.185 -15.309 5.392 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -24.595 -15.139 4.662 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -24.615 -15.349 6.162 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -19.997 -13.076 -4.443 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -19.297 -12.746 -3.883 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -19.537 -13.526 -5.153 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 3.275 -6.945 -1.251 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 3.285 -6.765 -0.311 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 4.125 -6.645 -1.561 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -22.044 23.275 9.504 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -22.094 22.895 8.625 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -21.654 22.585 10.044 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -6.909 -6.547 -6.725 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.999 -6.727 -6.955 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -7.319 -6.277 -7.545 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 8.195 -15.056 8.267 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 8.675 -15.566 8.917 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 7.535 -14.576 8.767 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -12.188 -7.898 -11.172 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -11.998 -7.298 -11.902 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -12.758 -7.388 -10.592 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -4.336 9.434 -2.527 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -4.236 8.974 -3.357 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -3.516 9.904 -2.407 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 -14.605 1.974 -19.533 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 -14.455 1.624 -20.413 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 -14.945 2.864 -19.693 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 17.822 -4.627 -5.987 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 17.192 -4.317 -5.337 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 17.642 -4.097 -6.757 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 6.734 7.114 15.827 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.794 6.934 15.837 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 6.884 7.654 16.597 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 3.092 -24.785 -10.297 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 2.182 -24.485 -10.287 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 3.612 -23.975 -10.317 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -11.647 6.180 23.171 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -12.517 5.800 23.281 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -11.447 6.050 22.241 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 9.606 -15.858 -4.576 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 9.726 -16.438 -5.326 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 10.176 -16.228 -3.896 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 -1.256 8.937 -7.241 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 -0.726 9.727 -7.081 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 -1.626 8.717 -6.391 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 20.684 0.692 4.771 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 21.154 1.162 4.081 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 20.814 1.212 5.561 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -13.476 2.935 23.714 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -13.066 3.365 22.964 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -13.696 2.055 23.394 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 11.667 9.891 9.445 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 11.717 10.821 9.215 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 11.067 9.511 8.805 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -13.497 -21.209 -0.597 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -13.797 -22.109 -0.567 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -13.567 -20.969 -1.527 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 7.032 -13.007 -9.846 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 7.492 -13.677 -10.356 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 7.642 -12.777 -9.146 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 -19.215 6.477 -23.166 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 -19.465 5.877 -23.875 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 -18.265 6.437 -23.146 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 9.631 0.104 11.879 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 9.211 0.214 11.019 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 9.231 0.784 12.429 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 0.320 12.732 14.158 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 0.800 12.772 14.988 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -0.470 13.242 14.308 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 12.415 4.912 -2.879 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 11.465 5.012 -2.799 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 12.775 5.552 -2.269 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 -24.776 2.684 -24.199 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 -25.136 2.514 -23.329 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 -24.306 3.514 -24.109 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 21.283 6.207 -18.473 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 22.093 6.077 -17.983 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 20.963 5.327 -18.653 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 1.383 5.281 -2.579 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 1.773 4.431 -2.399 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 0.663 5.101 -3.179 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 -21.813 -4.047 -13.441 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 -21.983 -4.907 -13.051 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 -21.743 -3.457 -12.681 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 19.187 -6.326 -19.303 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 18.587 -5.986 -18.653 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 19.707 -5.566 -19.583 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -1.253 -21.417 7.083 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -2.063 -21.687 7.533 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -1.503 -20.647 6.573 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 24.735 -21.298 8.763 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 24.295 -22.128 8.593 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 25.055 -21.018 7.903 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -16.875 -10.887 -19.331 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -16.075 -10.817 -19.851 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -16.575 -10.937 -18.421 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 2.417 23.654 20.228 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 2.267 24.284 19.528 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 1.597 23.154 20.278 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 -22.164 -22.929 -7.423 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 -21.344 -22.439 -7.343 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 -22.624 -22.509 -8.143 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 5.245 5.334 8.151 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 4.695 6.104 8.281 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 5.835 5.324 8.901 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -13.826 -20.795 -13.967 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -13.236 -21.555 -14.007 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -13.366 -20.175 -13.407 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 22.193 -9.426 -8.702 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 22.493 -8.546 -8.922 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 22.523 -9.976 -9.412 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 23.661 -14.583 -11.049 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 24.211 -14.183 -11.719 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 23.511 -15.483 -11.359 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -21.765 -11.485 -0.353 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -21.235 -11.345 0.427 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -22.075 -12.385 -0.273 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -7.029 -14.628 -8.391 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -6.199 -14.918 -8.781 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -7.699 -14.898 -9.011 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -10.145 -17.888 8.299 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -9.775 -18.598 7.779 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -10.785 -17.468 7.729 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -11.095 15.167 12.167 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -10.645 14.327 12.267 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -11.025 15.367 11.237 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 1.144 -16.329 4.118 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 0.434 -16.589 3.528 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 1.904 -16.799 3.788 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 23.299 24.092 -3.612 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 23.619 24.952 -3.882 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 22.349 24.182 -3.622 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 4.115 -15.166 1.533 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 3.475 -15.776 1.163 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 4.955 -15.606 1.403 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 13.516 -19.866 15.813 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 14.426 -19.726 15.573 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 13.056 -19.946 14.983 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 16.444 -6.627 1.503 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 16.574 -7.027 2.363 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 16.034 -5.787 1.683 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 20.955 21.613 18.119 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 20.605 22.513 18.129 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 21.075 21.403 19.049 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 11.276 -0.007 1.133 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 11.466 -0.677 0.473 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 11.006 -0.507 1.903 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -18.745 -13.446 -12.723 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -19.355 -12.836 -12.313 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -17.875 -13.096 -12.523 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 0.345 -16.393 9.223 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 0.225 -17.183 8.693 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 0.105 -15.683 8.633 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 18.714 -7.277 -1.581 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 19.434 -7.877 -1.751 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 18.404 -7.017 -2.451 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 -1.385 -2.817 -25.431 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 -1.215 -3.637 -24.961 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 -1.115 -2.137 -24.821 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 21.364 -1.607 -6.155 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 22.064 -2.167 -6.485 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 20.564 -2.027 -6.465 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -2.565 11.715 -0.926 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -3.025 12.545 -0.876 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -3.005 11.155 -0.286 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 -18.736 6.200 0.667 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 -19.586 6.640 0.607 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 -18.816 5.630 1.437 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 5.095 -15.595 20.189 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 4.565 -14.805 20.099 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 4.495 -16.315 19.979 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 -16.548 -21.173 -13.795 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 -16.858 -22.063 -13.655 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 -15.608 -21.273 -13.935 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 20.579 24.232 21.203 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 20.599 23.392 21.653 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 20.519 24.882 21.903 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 1.794 -23.506 2.329 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 2.114 -24.406 2.319 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 1.484 -23.346 1.429 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.938 9.345 -5.636 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -15.478 8.585 -5.396 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -14.118 8.965 -5.956 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -5.684 -16.687 6.331 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -6.304 -17.327 5.991 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -5.714 -16.807 7.281 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 18.933 22.366 -14.499 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 18.163 22.846 -14.189 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 19.633 23.016 -14.529 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 -12.404 -12.706 2.103 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 -12.554 -12.506 1.183 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 -13.284 -12.866 2.463 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 8.659 -6.187 -23.153 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 8.129 -6.887 -22.773 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 9.459 -6.627 -23.453 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -8.636 11.685 -8.291 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -8.106 11.365 -7.561 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -9.036 12.495 -7.961 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 -24.675 -19.784 1.603 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 -25.025 -19.264 0.883 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 -24.545 -20.654 1.233 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 13.876 6.473 20.404 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 13.986 7.123 19.714 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 13.296 6.893 21.044 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 -5.603 -7.255 -10.233 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 -6.353 -6.805 -9.853 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 -5.783 -7.295 -11.173 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 17.024 8.349 -12.671 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 16.184 7.939 -12.471 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 17.344 8.679 -11.821 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 13.366 -15.637 20.803 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 13.916 -15.587 20.023 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 13.986 -15.687 21.533 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 -3.734 -8.008 -23.003 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 -4.684 -7.948 -22.993 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 -3.474 -7.528 -23.793 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 -7.441 -23.515 -2.562 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 -7.241 -22.635 -2.242 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 -7.571 -24.025 -1.762 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -5.164 7.136 24.633 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -6.064 7.136 24.933 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -5.204 6.796 23.743 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 25.254 -25.149 11.401 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 24.774 -25.349 12.201 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 24.954 -24.279 11.151 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 9.455 -17.071 -6.807 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 8.745 -16.881 -7.417 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 9.805 -17.911 -7.107 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 12.873 -10.838 17.127 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 12.843 -11.398 16.347 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 13.733 -11.008 17.507 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 -21.706 20.974 15.938 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 -21.996 21.314 16.788 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 -20.756 21.074 15.958 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -1.226 19.896 2.961 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -0.376 19.456 2.961 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -1.696 19.506 3.691 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 1.965 7.625 -21.839 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 1.755 6.885 -21.269 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 1.785 7.305 -22.729 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 1.921 19.105 18.331 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 1.591 18.245 18.051 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 2.681 18.905 18.871 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -14.514 8.317 -8.465 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -15.384 8.717 -8.535 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -14.044 8.627 -9.235 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 -11.805 4.534 0.914 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 -11.725 4.964 1.774 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 -12.675 4.794 0.604 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 11.343 18.487 24.555 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.593 17.557 24.475 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.873 18.927 23.895 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 -19.470 -8.154 10.173 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 -18.600 -8.524 10.063 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -19.980 -8.534 9.453 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -12.365 4.286 -14.847 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.895 5.086 -15.087 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -12.815 4.026 -15.657 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -20.467 10.304 -12.813 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -19.827 10.484 -13.503 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -20.417 9.364 -12.663 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -20.365 7.560 15.462 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -21.235 7.180 15.612 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -20.005 7.050 14.732 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 6.697 -4.812 0.433 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 7.237 -4.582 -0.317 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 6.977 -5.702 0.663 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 -1.835 24.323 3.919 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 -1.065 24.503 4.469 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 -1.735 24.923 3.179 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 19.156 -17.058 2.865 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 19.956 -17.158 2.355 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 19.376 -17.368 3.735 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -6.439 12.725 -24.037 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -6.439 13.655 -23.827 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -7.339 12.445 -23.877 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 19.284 -20.994 17.023 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 19.924 -21.314 16.383 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 18.594 -21.654 17.013 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 23.894 -9.614 9.869 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 24.474 -9.634 10.629 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 24.384 -10.084 9.189 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 2.020 2.245 -18.249 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 1.390 2.705 -17.699 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 1.970 1.335 -17.959 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 2.776 21.005 -5.951 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 2.796 20.855 -5.011 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 1.886 21.285 -6.131 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -25.005 -4.789 -21.061 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -25.085 -3.859 -20.891 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -24.335 -4.859 -21.741 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 7.164 10.217 6.177 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 7.054 10.777 5.407 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 6.334 9.757 6.277 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 19.234 1.722 20.973 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 19.994 1.152 20.833 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 18.804 1.772 20.123 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 7.055 -12.514 13.315 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 6.145 -12.764 13.175 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 7.465 -13.294 13.695 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -16.354 -11.674 -24.357 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -16.234 -11.084 -23.607 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -17.254 -11.974 -24.277 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 1.594 6.153 -15.351 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 2.294 6.233 -14.701 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 2.054 6.083 -16.181 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 -1.574 23.394 -23.527 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 -1.934 24.084 -22.957 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 -1.844 22.584 -23.107 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.857 7.733 11.193 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 10.477 8.343 10.793 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.417 8.243 11.873 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 7.594 -21.485 -7.441 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 8.114 -21.445 -6.631 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 7.914 -22.275 -7.881 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 10.183 -11.033 -12.286 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 10.873 -10.503 -12.676 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 9.473 -11.033 -12.926 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 21.472 -10.995 -23.589 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 22.032 -10.355 -24.029 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 21.222 -10.555 -22.769 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 -23.595 -8.664 24.561 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 -22.715 -8.294 24.661 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 -24.175 -8.024 24.981 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 -24.034 -20.166 5.033 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 -23.494 -20.946 4.913 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 -24.914 -20.446 4.803 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 0.504 -9.546 2.995 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -0.376 -9.806 3.275 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 1.044 -10.316 3.175 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 19.167 -1.573 -20.167 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 18.947 -1.343 -21.067 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 18.637 -2.353 -19.977 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 -13.244 23.163 11.215 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 -12.824 22.983 10.375 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 -13.974 22.533 11.255 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -21.841 23.804 4.647 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -22.001 24.614 4.157 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -21.171 23.354 4.137 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 -15.456 -22.046 10.995 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 -15.926 -21.296 10.635 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 -15.316 -21.816 11.915 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 12.656 6.263 14.029 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 11.716 6.323 13.849 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 12.846 5.323 14.009 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 -3.497 12.626 -23.965 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 -2.977 12.606 -23.165 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 -4.407 12.596 -23.665 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.729 -15.493 6.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 -1.219 -15.413 5.465 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 0.181 -15.603 6.015 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 -23.457 10.372 -24.179 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 -23.797 10.932 -24.879 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 -23.217 9.552 -24.619 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 23.812 -22.674 11.343 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 22.952 -23.014 11.083 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 23.622 -22.004 11.983 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 19.596 15.157 -6.575 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 19.326 14.607 -5.845 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 18.796 15.587 -6.875 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 24.035 12.145 23.467 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 23.225 12.305 22.997 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 23.765 11.725 24.287 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 8.912 16.561 12.695 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 9.862 16.641 12.835 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 8.582 17.451 12.835 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -19.106 -3.516 -11.543 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -18.656 -4.236 -11.093 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -19.376 -2.926 -10.833 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 22.315 12.904 4.924 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 22.915 12.894 5.674 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 22.615 12.174 4.374 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 7.125 -0.758 -22.426 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 7.875 -1.338 -22.316 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 7.315 -0.278 -23.246 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 -13.988 -18.907 7.693 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 -13.308 -19.487 8.023 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 -14.668 -19.487 7.363 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 22.823 17.684 11.107 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 23.693 17.624 11.507 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 22.853 17.084 10.357 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 18.604 -12.638 5.583 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 18.384 -11.828 6.043 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 18.874 -12.358 4.713 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 20.225 2.744 11.017 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 19.845 3.274 11.717 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 21.165 2.944 11.057 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 -7.861 -5.583 9.363 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 -8.491 -6.223 9.683 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 -7.141 -5.603 10.003 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 21.774 3.501 -10.099 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 21.944 3.591 -9.159 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 22.354 4.141 -10.509 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -2.248 3.296 5.208 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -1.408 3.706 5.388 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -2.738 3.956 4.718 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 -0.937 0.626 21.045 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 -0.367 -0.054 20.685 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 -0.837 0.546 21.995 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 15.463 -13.366 -9.311 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 16.073 -12.666 -9.581 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 16.013 -14.136 -9.231 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 -15.884 7.992 1.345 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 -16.064 8.872 1.675 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 -16.744 7.562 1.325 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -22.894 17.922 12.203 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -22.774 17.702 13.123 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -22.764 17.092 11.743 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 17.665 -4.816 18.239 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 17.135 -4.056 18.499 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 18.575 -4.546 18.429 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 10.276 -19.383 -3.325 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 10.886 -20.123 -3.385 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 10.776 -18.703 -2.885 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 8.860 -11.727 -5.827 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 8.450 -12.137 -6.587 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 8.590 -12.277 -5.087 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 -16.895 7.565 20.781 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 -17.835 7.635 20.941 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 -16.575 8.465 20.871 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 13.002 -19.923 4.913 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 13.782 -20.483 4.963 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 12.832 -19.843 3.973 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 12.832 -20.661 -4.247 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 13.102 -21.531 -3.967 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 13.252 -20.061 -3.627 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 -10.095 7.513 12.579 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 -9.265 7.123 12.869 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 -10.005 7.593 11.629 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -17.788 6.739 3.385 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -18.388 6.359 4.025 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -16.928 6.689 3.795 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 16.313 -8.366 -10.383 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 16.073 -7.446 -10.273 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 16.893 -8.546 -9.643 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 15.175 -25.145 16.834 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 14.455 -24.815 17.384 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 15.085 -24.685 16.005 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 3.249 -17.266 -14.389 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 2.639 -16.746 -13.879 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 2.839 -18.126 -14.449 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 7.220 -14.276 5.631 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 7.750 -14.346 4.841 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 7.850 -14.326 6.351 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 10.925 23.776 24.505 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 10.375 24.266 23.895 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 10.465 23.826 25.345 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 11.966 -19.890 13.339 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 11.586 -20.130 12.499 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 11.536 -19.060 13.569 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 9.004 -18.117 15.483 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 8.234 -17.597 15.683 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 9.214 -18.567 16.303 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 22.467 1.673 14.021 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 23.317 1.253 14.181 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 21.827 0.963 14.121 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -9.786 7.217 21.005 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -9.226 6.927 20.275 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -9.696 6.527 21.655 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 -14.995 -7.219 -1.237 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 -15.095 -8.079 -1.637 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 -14.495 -6.709 -1.877 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -21.306 9.672 -2.283 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -20.946 10.552 -2.213 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -20.646 9.192 -2.793 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 0.179 23.352 -10.311 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -0.231 22.612 -9.871 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -0.481 23.662 -10.931 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 14.253 0.204 -17.486 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 14.023 1.004 -17.006 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 15.193 0.274 -17.636 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 8.845 -14.575 -22.029 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 8.225 -13.905 -22.309 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 8.325 -15.175 -21.489 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 -1.824 12.923 19.824 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 -2.284 13.333 20.565 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 -2.454 12.963 19.104 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 14.255 -15.059 -13.321 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 13.755 -14.529 -13.951 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 15.155 -14.759 -13.431 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 5.584 -6.188 -22.815 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 5.614 -5.268 -23.105 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 4.674 -6.458 -22.995 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 9.084 -17.772 3.788 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 9.484 -16.982 3.428 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 8.654 -17.482 4.598 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 -4.175 2.685 22.119 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 -4.255 1.765 21.869 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 -4.095 2.655 23.079 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -24.880 -16.096 0.859 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -24.860 -16.736 0.159 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -25.550 -16.416 1.469 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -9.467 -12.108 -7.979 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -8.557 -11.878 -8.159 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -9.947 -11.788 -8.739 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -5.354 -17.885 11.673 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -4.534 -17.435 11.873 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -5.104 -18.795 11.563 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 18.624 5.133 -6.157 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 18.924 4.223 -6.107 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 18.534 5.413 -5.247 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 6.303 -3.580 9.389 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 7.073 -3.150 9.019 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 5.603 -2.940 9.289 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -11.914 -17.695 -4.446 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -12.864 -17.695 -4.516 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -11.604 -17.895 -5.336 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -20.707 24.073 16.359 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -21.177 23.473 16.929 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -21.197 24.063 15.539 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 13.087 11.534 19.369 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 12.957 10.854 18.699 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 13.257 12.334 18.869 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 10.736 17.221 20.649 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 11.696 17.201 20.599 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 10.446 17.021 19.759 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 -4.211 11.862 -11.651 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 -5.021 12.352 -11.561 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 -3.591 12.322 -11.091 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 21.837 22.863 -22.725 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 21.267 23.443 -22.225 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 22.597 22.733 -22.145 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 12.655 -13.887 -15.179 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 13.355 -14.197 -15.749 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 11.915 -14.457 -15.369 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -14.608 -15.597 -13.491 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -14.758 -16.527 -13.641 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -14.528 -15.227 -14.371 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 19.823 10.006 -2.333 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 19.123 10.326 -1.763 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 20.043 10.756 -2.893 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 23.023 -11.898 -9.969 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 22.583 -12.038 -9.129 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 23.373 -12.768 -10.199 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 -2.145 -12.316 -11.447 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 -1.715 -12.996 -10.927 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 -2.265 -11.586 -10.837 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 16.533 5.281 7.609 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 17.133 4.691 8.059 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 16.233 5.891 8.289 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 24.575 -6.182 -13.229 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 25.045 -5.412 -13.559 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 24.335 -6.672 -14.019 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 22.165 24.843 7.371 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 22.745 24.513 6.691 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 22.555 24.533 8.191 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 -8.766 20.473 15.681 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -8.396 20.583 16.561 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -9.656 20.833 15.751 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 12.962 22.285 -19.545 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 13.352 22.515 -18.705 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 13.632 21.775 -19.995 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 -19.927 20.455 -20.251 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 -20.697 20.075 -20.671 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 -19.977 20.135 -19.351 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 -22.257 -19.728 -10.587 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 -22.777 -19.088 -11.087 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 -21.417 -19.748 -11.037 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -10.725 17.645 -7.379 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -9.805 17.655 -7.649 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -11.105 16.895 -7.839 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 -3.401 -18.758 -18.683 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 -3.941 -18.608 -19.453 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 -3.631 -19.648 -18.393 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 16.777 14.233 -3.047 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 15.917 14.403 -3.437 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 16.637 14.333 -2.107 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 -12.867 -1.979 4.345 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 -12.707 -2.379 5.194 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 -12.467 -1.109 4.394 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 23.910 16.085 8.719 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 24.490 16.135 7.959 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 23.050 15.875 8.359 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 -6.571 3.687 20.731 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 -5.971 3.117 20.241 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 -6.191 3.737 21.611 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 -5.959 -13.159 -11.759 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 -6.039 -12.289 -11.369 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 -5.559 -13.699 -11.069 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -14.588 23.557 -3.123 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -14.828 24.167 -2.433 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -15.248 22.867 -3.083 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 22.821 19.606 -10.462 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 23.731 19.716 -10.732 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 22.541 18.786 -10.862 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 -20.119 18.903 19.193 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 -19.679 19.123 20.023 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 -21.049 18.873 19.423 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 -7.640 -21.543 -21.131 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 -7.720 -20.963 -21.881 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 -7.120 -22.283 -21.451 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 14.716 -24.773 -15.170 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 14.236 -24.583 -15.980 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 15.506 -24.233 -15.230 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 6.365 16.914 18.409 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 7.025 16.244 18.249 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 5.635 16.444 18.809 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -9.190 -15.066 0.061 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -10.020 -15.146 0.541 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -9.220 -14.176 -0.299 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 -15.354 -9.863 14.274 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 -15.924 -10.473 13.804 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 -15.954 -9.233 14.664 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -19.518 -14.264 -15.006 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -19.918 -15.124 -15.056 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -19.358 -14.124 -14.066 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 7.530 -8.128 18.969 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 7.320 -7.458 19.629 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 7.680 -7.628 18.169 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 16.235 -5.815 13.671 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 15.505 -5.745 14.291 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 16.635 -6.665 13.861 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -10.126 -14.567 -15.605 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -9.716 -14.737 -16.445 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -9.446 -14.137 -15.085 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -22.703 22.932 17.907 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -22.813 23.852 18.147 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -23.473 22.492 18.267 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 -8.327 -6.314 -4.407 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 -7.667 -6.314 -5.107 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 -9.137 -6.054 -4.847 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 20.604 -2.783 20.935 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 21.394 -2.263 20.785 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 20.814 -3.313 21.705 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 -24.207 22.454 22.009 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 -24.747 22.304 22.789 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 -23.337 22.164 22.269 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 -23.294 -10.692 7.787 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 -22.534 -11.042 8.257 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 -22.944 -10.382 6.957 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 -5.686 5.553 6.267 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 -5.826 5.753 5.337 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 -6.566 5.583 6.647 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 9.985 -20.455 3.297 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 9.705 -21.335 3.547 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 9.555 -19.875 3.937 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 -24.181 1.292 11.215 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 -24.271 2.242 11.335 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 -23.421 1.062 11.745 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 -20.336 -15.017 -0.523 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 -20.086 -15.927 -0.703 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 -21.086 -15.087 0.067 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 1.384 2.035 -15.013 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 1.324 2.425 -14.143 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 1.814 2.705 -15.553 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 21.634 0.325 20.657 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 22.084 -0.105 21.387 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 21.834 -0.215 19.897 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 10.375 18.204 10.445 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 9.485 17.994 10.725 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 10.435 19.154 10.535 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 22.495 -18.199 -14.137 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 22.555 -18.519 -13.237 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 22.055 -17.349 -14.057 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 -1.508 8.865 -19.786 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 -1.428 9.185 -18.886 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 -2.348 8.415 -19.816 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 -10.360 23.193 -20.659 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 -9.970 24.063 -20.719 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 -10.060 22.723 -21.429 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 15.284 -6.956 -3.885 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 15.704 -6.196 -3.475 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 15.284 -7.636 -3.215 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 -21.173 -6.816 -9.292 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 -20.853 -6.356 -8.512 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 -21.993 -6.376 -9.502 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 13.390 10.357 -25.283 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 12.510 10.267 -24.933 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 13.650 9.467 -25.513 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 5.125 1.482 -1.142 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 4.325 1.982 -1.002 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 4.855 0.562 -1.022 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -4.409 -12.295 12.158 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -5.039 -11.865 11.578 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -3.669 -12.495 11.588 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 -2.389 5.704 21.279 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 -2.879 6.474 21.569 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 -2.909 4.964 21.559 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -3.976 18.862 -17.005 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -3.586 18.022 -17.235 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -4.576 18.662 -16.295 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -12.478 8.546 -6.562 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -11.578 8.846 -6.652 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -12.678 8.126 -7.402 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 6.885 -12.968 -17.068 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 6.275 -13.398 -17.668 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 7.735 -13.018 -17.518 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -3.035 -21.015 -23.451 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -2.265 -21.145 -22.891 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -2.675 -20.925 -24.331 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 4.406 3.812 -5.337 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 3.606 3.382 -5.067 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 5.036 3.102 -5.477 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 -14.523 13.023 25.119 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 -14.053 12.333 24.649 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 -13.833 13.583 25.469 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 5.707 21.576 13.814 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 6.567 21.276 13.514 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 5.267 21.886 13.014 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 -17.536 15.392 -1.245 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 -16.746 14.972 -1.595 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 -18.206 14.712 -1.315 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 -1.174 -3.526 20.771 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 -0.694 -4.246 20.361 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 -1.554 -3.916 21.561 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -22.363 -16.816 21.439 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -21.993 -17.406 20.779 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -21.893 -15.986 21.319 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 -6.146 -14.245 -16.999 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 -5.936 -13.485 -16.469 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 -6.586 -13.885 -17.769 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 -10.674 -1.458 19.165 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 -9.724 -1.418 19.265 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 -10.944 -0.558 18.995 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 8.607 -17.263 -11.301 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 9.287 -16.673 -11.601 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 7.927 -16.693 -10.951 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 -15.221 -1.244 20.901 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 -15.051 -1.974 21.491 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 -15.401 -1.654 20.051 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 -17.641 1.185 4.033 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 -16.771 1.555 3.903 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 -17.941 0.945 3.153 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 22.637 4.759 -13.467 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 22.547 3.989 -14.017 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 21.737 4.969 -13.197 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -4.363 -5.883 1.031 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -4.673 -6.693 0.621 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -3.453 -6.073 1.271 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 0.565 -0.058 6.748 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -0.205 0.472 6.508 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 0.255 -0.618 7.458 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -16.514 4.994 -16.377 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -16.484 5.404 -17.247 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -15.634 5.134 -16.027 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 24.726 -7.536 -3.503 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 23.886 -7.466 -3.953 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 24.516 -7.336 -2.583 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 17.634 21.036 0.377 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 17.734 21.396 -0.503 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 17.394 20.126 0.247 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 2.252 22.963 23.101 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 1.862 23.273 22.281 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 3.192 23.053 22.971 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 5.514 -21.659 6.563 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 5.784 -20.759 6.383 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 4.754 -21.559 7.143 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -9.669 15.015 -19.581 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -9.059 15.305 -18.911 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -10.069 14.225 -19.211 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 3.473 13.840 18.521 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 2.573 13.580 18.311 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 3.623 14.610 17.981 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -11.084 22.884 13.295 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -10.134 22.994 13.255 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -11.364 22.934 12.385 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 4.647 0.255 -4.815 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 5.067 0.085 -3.975 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 5.337 0.645 -5.355 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 -1.169 12.576 -17.165 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 -0.819 13.156 -16.495 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 -0.829 11.706 -16.935 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 22.654 20.193 23.711 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 23.284 19.603 23.281 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 21.834 19.703 23.701 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 -8.214 -5.884 22.121 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 -8.084 -5.374 21.331 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 -7.494 -5.614 22.701 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 -13.733 -17.906 0.915 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 -12.983 -18.186 1.445 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 -13.613 -18.376 0.085 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -1.091 0.315 -14.217 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -1.501 1.075 -13.807 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -0.271 0.655 -14.567 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 -7.317 -4.297 2.099 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 -8.127 -4.707 1.799 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 -6.737 -4.317 1.339 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -0.564 -22.629 -3.677 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -0.914 -21.759 -3.517 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 0.146 -22.719 -3.047 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 11.826 -16.658 17.488 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 12.326 -17.478 17.508 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 11.016 -16.858 17.958 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 -4.347 -16.224 -21.652 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 -5.207 -16.274 -21.242 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 -3.997 -17.124 -21.582 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 7.754 -22.716 -15.943 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 8.464 -23.306 -15.693 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 7.854 -22.616 -16.893 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 16.224 20.513 -15.827 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 16.794 21.263 -15.997 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 16.814 19.833 -15.487 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 -6.713 -15.867 24.874 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 -7.073 -14.987 24.894 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 -7.163 -16.327 25.574 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 13.332 13.898 -10.616 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 13.792 13.058 -10.706 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 13.942 14.458 -10.146 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -17.324 0.866 -13.023 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -16.574 1.096 -12.473 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -16.934 0.396 -13.763 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 15.682 -11.514 17.754 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 16.172 -10.904 17.194 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 15.582 -12.304 17.224 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 24.665 -14.096 24.779 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 24.375 -14.226 23.869 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 25.615 -14.016 24.719 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 -18.449 25.301 -15.167 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 -17.629 25.021 -15.557 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 -18.299 25.251 -14.227 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 23.740 2.476 -0.993 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 23.090 3.086 -0.673 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 24.580 2.866 -0.763 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 -1.486 -20.594 1.781 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 -1.616 -20.524 2.721 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 -2.186 -20.074 1.391 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 10.365 5.064 -7.577 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 11.175 4.864 -8.047 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 9.925 5.714 -8.127 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 -4.794 -2.777 -2.892 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 -5.504 -2.767 -2.242 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 -5.234 -2.797 -3.742 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 14.766 -2.108 -10.769 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 15.206 -2.068 -9.909 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 14.406 -1.228 -10.889 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -1.665 9.304 -10.655 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -2.055 10.114 -10.345 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -1.385 8.844 -9.865 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 19.115 -10.697 -0.715 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 19.105 -9.737 -0.715 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 18.635 -10.947 0.065 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 6.506 11.033 3.689 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 5.826 10.523 3.259 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 7.226 11.043 3.059 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 24.105 -17.436 2.525 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 24.955 -17.826 2.705 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 24.045 -16.696 3.135 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 14.285 14.924 -13.817 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 13.935 14.174 -14.297 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 14.515 15.554 -14.497 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 14.349 2.876 22.483 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 13.929 3.726 22.353 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 13.629 2.286 22.703 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -6.065 10.162 23.320 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -6.335 10.842 22.700 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -5.925 9.382 22.770 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 1.815 -10.366 24.704 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 2.195 -11.066 25.224 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 2.485 -10.176 24.044 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 8.033 -6.043 8.286 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 8.583 -6.023 9.066 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 7.393 -5.343 8.416 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -10.523 16.055 -10.231 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -10.453 15.115 -10.431 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -9.913 16.195 -9.511 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 -1.246 21.907 -21.322 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 -1.146 22.787 -20.962 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 -0.646 21.367 -20.812 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 21.634 -11.474 11.599 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 22.294 -11.554 10.909 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 21.534 -12.354 11.949 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 3.153 8.744 -3.677 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 3.983 9.084 -3.997 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 3.253 7.794 -3.707 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 4.594 -7.369 -5.311 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 5.144 -7.859 -5.921 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 4.084 -8.029 -4.851 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 -5.395 17.646 -19.327 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 -4.995 18.456 -19.007 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 -5.755 17.876 -20.177 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 20.877 6.881 -15.701 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 21.057 6.921 -16.641 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 20.437 6.041 -15.571 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -24.578 21.084 -6.669 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -24.088 20.374 -7.099 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -24.218 21.884 -7.049 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -13.223 -6.878 -18.139 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -12.793 -6.028 -18.229 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -13.323 -6.998 -17.199 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 17.811 -24.144 -24.939 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 18.741 -24.164 -25.169 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 17.371 -24.534 -25.689 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.606 13.503 -17.633 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -2.696 13.203 -17.643 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -4.126 12.703 -17.613 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 6.073 14.382 21.401 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 6.493 14.712 22.191 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 6.793 14.082 20.851 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 -21.115 -3.507 -9.379 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 -21.525 -2.827 -8.839 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 -21.785 -3.747 -10.009 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 6.922 4.182 15.559 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 6.752 5.122 15.559 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 6.072 3.782 15.359 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 -0.264 9.324 10.153 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 0.476 9.774 9.753 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 -0.494 9.874 10.913 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 22.000 -5.380 -15.743 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 22.220 -5.670 -16.633 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 22.580 -4.640 -15.583 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 6.626 5.232 2.738 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 7.376 5.782 2.948 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 6.786 4.412 3.218 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 16.812 15.826 2.693 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 17.382 15.806 1.923 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 17.122 15.106 3.243 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 -18.581 21.647 -22.659 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 -19.181 21.407 -21.949 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 -17.711 21.607 -22.269 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 11.696 -14.257 0.548 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 11.326 -13.387 0.688 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 12.396 -14.337 1.198 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 -17.687 24.025 4.475 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 -18.497 24.035 4.975 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 -17.057 23.575 5.045 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 20.794 -3.763 23.469 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 20.724 -3.793 24.419 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 21.724 -3.873 23.289 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 -7.003 24.002 14.061 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 -6.133 24.342 14.261 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 -7.593 24.472 14.651 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 2.944 -22.255 -16.221 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 3.444 -22.265 -17.031 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 3.584 -22.095 -15.531 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 -1.356 11.144 12.544 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 -0.706 11.684 12.994 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 -2.186 11.364 12.985 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 3.265 -16.133 -6.595 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 3.805 -15.583 -7.175 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 3.865 -16.813 -6.295 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 12.474 -12.744 -21.182 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 11.934 -12.134 -20.682 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 13.144 -13.034 -20.562 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 10.293 3.107 20.663 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 10.613 2.277 21.033 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 11.073 3.517 20.293 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 0.417 -1.696 11.133 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 0.347 -0.866 10.663 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -0.093 -1.556 11.933 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -6.791 21.157 13.895 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -6.661 21.167 14.845 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -6.721 22.077 13.635 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -14.327 14.415 21.434 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -15.237 14.385 21.744 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -14.387 14.225 20.494 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 12.774 21.455 24.461 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 12.414 22.285 24.771 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 12.254 21.245 23.691 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 -20.108 -18.349 -8.035 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 -21.008 -18.669 -8.135 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 -20.178 -17.689 -7.335 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 8.584 20.067 16.203 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 8.014 20.817 16.363 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 8.534 19.547 17.003 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -24.666 -11.596 0.008 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -23.746 -11.466 -0.222 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -24.686 -11.536 0.968 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -9.674 19.557 -3.507 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -10.074 19.897 -2.707 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -9.074 20.247 -3.787 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 21.535 -13.453 -18.623 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 22.165 -13.103 -19.263 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 20.815 -13.793 -19.163 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 17.404 18.214 17.579 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 17.634 18.444 18.479 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 16.464 18.074 17.599 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 20.104 3.228 0.637 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 19.874 4.158 0.597 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 19.354 2.818 1.077 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 11.567 10.458 22.527 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 11.507 10.768 23.437 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 11.707 9.518 22.607 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -7.330 17.864 3.467 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -8.140 18.034 3.937 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -7.250 16.914 3.437 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 -24.175 -5.788 -9.447 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 -24.275 -5.738 -8.497 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 -24.405 -6.688 -9.667 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -2.710 14.214 -20.495 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -3.630 14.154 -20.775 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -2.760 14.324 -19.545 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -16.218 13.963 19.153 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -15.928 13.083 19.403 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -16.788 14.243 19.863 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -1.794 17.203 -2.939 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -0.964 16.953 -3.359 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -2.174 16.373 -2.649 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 -12.007 -17.984 -7.353 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 -12.577 -17.234 -7.223 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 -11.187 -17.614 -7.693 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 8.755 -14.506 16.121 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 9.605 -14.806 16.461 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 8.405 -13.956 16.821 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 -8.537 6.745 -9.416 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 -8.697 6.365 -10.276 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 -7.917 7.465 -9.586 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 14.555 5.316 3.631 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 14.625 4.636 2.971 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 14.635 6.136 3.141 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 -8.794 5.586 -15.071 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 -8.024 5.026 -15.141 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 -9.044 5.766 -15.981 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -22.397 -18.365 -15.303 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -23.267 -18.235 -15.663 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -22.247 -19.305 -15.353 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 18.761 -10.086 -11.281 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 19.091 -10.976 -11.411 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 19.211 -9.566 -11.941 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 -8.754 -23.719 13.003 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 -9.584 -23.759 12.523 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 -9.014 -23.689 13.923 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 21.713 20.367 11.832 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 21.903 19.437 11.692 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 22.453 20.687 12.342 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -22.595 -21.605 23.783 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -23.395 -21.355 24.243 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -21.965 -20.935 24.043 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 -12.654 -21.307 -17.653 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 -12.574 -22.267 -17.643 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 -12.934 -21.077 -16.773 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 -24.634 0.922 -14.495 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 -24.394 1.832 -14.625 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 -25.424 0.952 -13.945 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 23.130 -7.416 -11.036 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 22.400 -7.286 -11.646 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 23.660 -6.626 -11.126 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 0.850 -6.717 14.674 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -0.000 -6.377 14.964 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 1.490 -6.107 15.044 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 15.355 -23.119 14.997 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 16.125 -23.059 14.437 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 15.485 -22.439 15.657 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 12.743 19.705 2.105 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 13.293 20.385 2.515 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 13.063 18.885 2.485 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 5.534 -24.447 -15.556 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 5.724 -23.617 -15.996 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 5.954 -24.357 -14.706 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 -21.263 -8.738 8.008 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 -22.033 -8.208 7.778 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 -21.193 -9.378 7.298 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 20.256 -12.367 -12.171 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 21.176 -12.447 -12.401 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 20.156 -12.907 -11.381 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 17.303 -17.666 -9.909 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 18.113 -18.036 -10.239 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 16.743 -18.416 -9.739 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -8.573 -6.855 -8.797 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -8.773 -6.595 -9.697 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -9.383 -7.235 -8.457 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 9.443 2.726 -9.828 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 10.223 3.116 -9.428 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 9.703 1.826 -10.018 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -15.145 -1.249 -12.749 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -14.205 -1.219 -12.619 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -15.345 -0.459 -13.249 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 3.273 -5.295 17.535 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.393 -5.635 16.655 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.043 -4.745 17.685 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 -7.433 -15.813 22.163 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 -7.363 -15.183 22.883 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 -6.983 -16.593 22.483 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 -12.074 -10.467 -13.169 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 -12.324 -11.367 -13.349 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 -12.654 -9.937 -13.729 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.554 16.213 2.704 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 10.934 15.543 2.985 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.014 16.973 2.484 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 -14.684 19.284 -14.219 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 -14.394 19.404 -13.319 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 -14.494 18.364 -14.409 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 4.847 -14.964 -8.849 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 5.327 -15.414 -9.539 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 4.947 -14.034 -9.039 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -17.699 9.707 -12.735 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -17.649 8.747 -12.665 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -18.369 9.957 -12.095 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 -15.837 4.545 -9.846 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 -15.797 4.415 -8.906 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 -16.767 4.735 -10.016 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 -9.216 -17.698 1.041 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 -9.816 -18.228 0.511 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 -9.446 -16.788 0.821 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 12.122 -20.107 1.394 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 11.992 -19.187 1.194 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 11.392 -20.327 1.974 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 7.677 8.145 -1.515 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 8.237 8.375 -0.785 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 6.787 8.195 -1.165 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 0.423 -1.594 -12.492 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 1.293 -1.244 -12.342 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 0.013 -0.984 -13.102 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 23.433 -18.435 -3.589 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 24.273 -18.025 -3.739 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 23.513 -18.835 -2.719 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 -21.815 4.123 10.943 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 -21.095 4.603 11.363 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 -21.425 3.293 10.673 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 24.543 -13.996 8.773 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 24.933 -14.706 8.263 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 24.483 -13.266 8.163 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 7.071 -7.335 13.815 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 7.361 -6.525 13.385 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 6.471 -7.725 13.185 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 10.155 13.282 15.804 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 10.115 14.202 16.044 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 10.955 13.202 15.274 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 0.812 12.158 19.845 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 0.342 11.968 20.655 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 0.122 12.268 19.185 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 1.477 1.953 22.509 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 0.727 2.493 22.749 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 1.307 1.713 21.599 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 10.849 19.233 -8.661 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 10.209 18.603 -9.021 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 10.379 20.063 -8.651 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 -1.036 -3.143 -10.767 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 -1.866 -2.983 -11.217 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 -0.366 -2.903 -11.417 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 19.687 -10.581 24.022 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 19.857 -10.391 24.942 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 19.317 -11.461 24.022 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 -22.675 -25.017 -16.511 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 -22.545 -24.467 -15.731 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 -23.325 -24.547 -17.031 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 -0.159 22.683 19.675 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 -0.719 23.213 20.245 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 0.051 21.913 20.205 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 -6.894 -16.715 -10.157 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 -7.714 -16.955 -10.597 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 -6.794 -17.375 -9.467 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 -14.646 11.564 19.262 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 -14.366 10.664 19.442 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 -13.946 11.924 18.712 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 -2.875 -12.067 -1.871 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 -3.075 -12.977 -2.081 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 -2.995 -11.597 -2.691 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 13.770 -8.758 -15.699 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 13.350 -7.918 -15.869 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 13.100 -9.418 -15.909 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 14.146 7.493 1.889 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 14.176 7.543 0.939 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.906 7.993 2.189 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.497 19.662 -23.809 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 13.507 18.892 -24.379 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 12.877 20.262 -24.219 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 17.562 -17.316 0.339 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 18.122 -17.176 1.109 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 18.072 -16.976 -0.391 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 16.432 13.684 9.108 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 16.062 14.554 8.968 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 15.692 13.084 8.978 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 11.094 18.004 -14.505 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 10.584 18.034 -13.685 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 12.004 17.954 -14.215 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 -8.293 -21.760 21.901 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 -7.983 -22.260 22.661 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 -9.213 -21.570 22.101 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -2.991 -6.478 4.809 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -3.161 -6.338 3.869 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -3.151 -7.408 4.939 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 -8.507 -2.424 7.009 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 -7.637 -2.514 6.619 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 -9.067 -2.974 6.459 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 24.410 -15.166 -19.996 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 24.900 -15.006 -19.196 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 24.300 -14.306 -20.386 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 -21.273 -18.323 24.439 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 -20.533 -18.943 24.379 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 -21.603 -18.263 23.539 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 10.082 -6.617 13.835 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 10.802 -7.237 13.955 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 10.412 -5.977 13.215 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -19.254 -24.355 -2.629 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -19.574 -23.475 -2.439 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -18.344 -24.225 -2.909 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 19.764 22.404 -24.749 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 18.964 21.964 -24.459 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 20.364 22.334 -24.009 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 -10.574 9.667 0.101 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 -11.184 10.397 0.061 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 -10.854 9.067 -0.589 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 15.754 21.322 20.844 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 14.864 21.602 21.054 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 16.064 21.952 20.184 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -11.376 -14.074 -23.793 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -10.636 -13.544 -24.083 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -12.136 -13.524 -23.953 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.773 6.129 -4.106 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 3.093 5.709 -3.575 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 4.243 5.399 -4.506 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -19.039 12.152 10.410 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -18.469 11.552 9.930 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -18.919 12.992 9.970 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 16.101 20.325 -25.129 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 15.241 20.535 -24.769 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 16.111 19.365 -25.189 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 4.382 -1.645 23.879 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 3.612 -2.185 23.719 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 4.322 -0.945 23.219 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -10.838 8.704 -23.310 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -11.508 8.434 -23.940 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -10.278 7.934 -23.210 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -11.028 7.026 9.043 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -10.268 6.506 8.783 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -11.778 6.486 8.803 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 -14.325 14.945 -5.321 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 -14.225 14.065 -5.661 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 -15.195 15.215 -5.621 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 10.232 -22.556 19.401 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 10.682 -21.746 19.181 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 9.542 -22.286 20.011 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 -11.349 23.315 -17.887 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 -11.459 23.025 -18.797 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 -10.829 24.115 -17.957 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 -23.567 23.795 -0.722 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 -22.847 24.125 -1.262 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 -23.177 23.055 -0.252 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 18.814 -24.277 -8.413 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 17.994 -23.787 -8.373 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 19.064 -24.247 -9.333 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 -23.497 -22.130 20.871 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 -23.507 -21.860 21.791 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 -24.287 -21.740 20.501 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 9.364 4.366 11.064 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 9.114 5.296 11.014 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 10.074 4.276 10.434 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 -4.585 -18.080 -10.849 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 -5.185 -17.480 -11.299 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 -4.055 -18.460 -11.549 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 9.224 -7.368 10.707 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 8.394 -7.668 10.337 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 9.204 -7.688 11.607 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 8.992 -6.856 21.861 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 9.322 -7.176 21.021 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 9.782 -6.586 22.331 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 1.683 -19.788 -15.753 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 1.313 -19.958 -14.883 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 2.153 -20.598 -15.963 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 16.949 4.605 -22.573 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 17.579 4.815 -23.263 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 17.249 5.105 -21.813 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 -16.351 21.681 -12.485 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 -17.131 22.231 -12.535 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 -16.071 21.581 -13.395 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 13.214 -22.797 17.139 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 12.684 -23.437 17.609 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 12.614 -22.087 16.919 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 5.323 -18.796 17.691 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 4.413 -19.086 17.711 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 5.353 -18.136 16.991 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 23.065 -20.148 16.003 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 22.955 -19.328 15.523 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 23.995 -20.178 16.243 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 11.695 -6.819 22.949 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 11.375 -7.579 23.429 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 12.495 -7.129 22.519 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -2.788 -8.616 13.038 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -3.098 -7.716 13.048 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -3.268 -9.056 13.738 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 12.175 7.223 -13.803 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 12.465 6.783 -13.003 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 11.225 7.323 -13.703 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -3.366 -13.913 -18.209 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -4.066 -14.413 -17.789 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -2.906 -14.563 -18.749 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -2.989 5.706 3.412 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -2.169 6.186 3.402 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.339 5.796 2.522 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 22.804 22.757 -13.859 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 23.304 22.307 -13.179 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 22.694 22.107 -14.549 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 7.874 -21.119 17.961 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 8.664 -20.589 18.061 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 7.684 -21.079 17.021 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 -22.425 -11.534 -7.769 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 -22.735 -12.304 -8.249 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 -21.505 -11.714 -7.579 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 13.133 -8.349 -20.689 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 13.273 -9.289 -20.559 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 12.193 -8.249 -20.809 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 2.347 18.274 -20.493 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 2.767 17.564 -20.973 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 1.737 17.844 -19.903 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 -19.157 23.745 -0.089 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 -19.267 22.805 -0.219 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 -19.477 24.135 -0.899 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 2.584 24.925 3.825 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 1.644 24.845 3.945 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 2.834 25.705 4.325 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 13.036 -6.526 19.483 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 13.206 -7.466 19.533 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 13.896 -6.126 19.443 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 7.086 -24.019 -18.689 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 7.606 -23.809 -19.459 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 6.396 -24.599 -19.009 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 2.335 -7.984 1.355 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 3.255 -7.884 1.625 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 1.905 -8.364 2.125 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 1.370 15.714 14.583 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 0.610 15.174 14.403 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 1.180 16.134 15.413 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 8.646 -9.867 -20.029 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 7.966 -10.057 -20.669 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 8.696 -10.657 -19.479 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -10.971 17.363 23.044 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -10.271 16.723 22.904 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -11.671 16.853 23.444 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 -9.133 -1.008 22.745 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 -9.253 -0.088 23.005 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 -9.923 -1.448 23.075 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 -15.825 -15.191 -1.631 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 -16.185 -15.611 -2.411 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 -14.915 -15.481 -1.611 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 7.146 8.030 -25.317 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 6.986 7.680 -24.437 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 6.896 7.320 -25.907 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 -5.235 -3.884 -8.929 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 -4.295 -3.694 -8.859 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 -5.665 -3.094 -8.629 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 18.623 7.904 -3.683 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 18.853 6.974 -3.713 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 19.423 8.344 -3.393 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 11.606 22.715 -5.699 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 12.376 23.285 -5.729 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 11.956 21.835 -5.639 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 16.299 -22.348 -15.466 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 15.989 -21.698 -16.096 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 16.439 -21.858 -14.656 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 1.062 -17.090 -8.526 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 1.662 -16.750 -7.866 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 0.402 -16.410 -8.626 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 -16.525 -5.715 13.327 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 -16.265 -5.795 12.407 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 -16.735 -6.605 13.597 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 5.413 -1.085 9.079 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 5.053 -0.285 8.699 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 5.113 -1.085 9.979 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -23.575 22.362 6.815 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -23.855 21.492 6.515 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.015 22.682 6.105 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -24.419 16.141 -19.916 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -23.479 15.961 -19.966 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -24.729 15.611 -19.176 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 15.964 -11.437 -17.929 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 16.604 -11.677 -18.599 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 15.124 -11.447 -18.379 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 24.482 8.654 -1.699 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 24.332 9.244 -2.439 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 24.852 9.224 -1.009 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -9.058 -22.944 6.799 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -9.808 -23.404 6.429 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -8.658 -23.584 7.389 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 -8.538 -11.105 -10.439 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 -9.158 -10.415 -10.679 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 -8.908 -11.905 -10.809 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 24.294 -8.486 -22.616 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 24.404 -8.846 -21.736 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 23.804 -7.676 -22.486 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 -12.898 -12.657 9.603 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 -12.038 -12.547 9.193 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 -13.518 -12.707 8.873 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -18.437 1.926 6.449 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -18.167 1.766 5.549 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -17.917 2.676 6.729 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 -4.400 5.951 1.134 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 -4.220 6.241 0.234 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 -5.290 5.591 1.094 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 10.103 -12.388 13.724 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 10.183 -12.218 12.784 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 9.503 -11.708 14.044 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 -1.505 -15.035 -4.166 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 -2.185 -14.375 -4.066 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 -0.725 -14.545 -4.405 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -6.709 9.776 -20.556 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -7.179 8.956 -20.726 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -7.139 10.416 -21.116 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 12.736 0.332 19.504 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 12.616 -0.348 18.834 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 13.256 -0.098 20.184 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 -23.667 7.691 6.867 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 -23.977 8.031 6.027 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 -24.247 6.951 7.057 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 -9.635 -25.288 -9.929 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 -8.925 -25.008 -10.509 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 -9.705 -24.588 -9.279 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -2.576 -9.485 -3.627 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -2.626 -9.145 -2.737 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -3.096 -8.875 -4.147 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 6.015 21.691 16.469 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 6.185 22.621 16.619 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 5.805 21.631 15.539 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 0.483 19.026 -1.693 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 0.093 18.376 -1.103 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 0.193 19.866 -1.343 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 24.135 -4.134 -9.531 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 24.745 -4.834 -9.751 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 23.705 -4.424 -8.731 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 11.969 24.394 -15.055 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 11.569 23.534 -14.925 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 11.309 24.904 -15.535 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 -9.627 -2.857 9.975 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 -8.947 -2.757 9.315 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 -9.587 -2.047 10.485 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 23.503 -23.414 7.813 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 23.073 -24.264 7.763 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 22.933 -22.824 7.313 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 18.802 -19.315 -15.980 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 19.572 -18.755 -15.950 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 19.162 -20.195 -16.120 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 10.304 14.174 6.397 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 10.354 13.404 6.947 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 11.134 14.624 6.537 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -11.396 -9.775 -19.441 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -11.616 -9.515 -20.331 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -12.136 -10.325 -19.171 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -8.273 -17.525 5.468 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -9.213 -17.725 5.498 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -8.013 -17.715 4.568 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 17.463 4.687 4.681 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 17.653 3.847 5.101 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 17.563 5.327 5.381 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 -4.077 16.484 8.999 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 -3.807 17.084 8.299 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 -4.777 16.954 9.449 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 14.932 1.005 4.177 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 14.582 0.235 4.627 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 14.712 1.735 4.757 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 6.305 20.594 -19.687 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 6.435 21.194 -20.427 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 6.965 19.924 -19.807 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -7.938 13.174 19.539 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -7.378 12.404 19.429 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -8.688 12.864 20.039 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 17.625 18.485 8.860 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 18.115 19.175 9.300 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 17.595 18.755 7.940 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 21.180 -4.374 -19.663 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 21.200 -3.424 -19.773 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 22.100 -4.624 -19.613 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 7.253 17.326 -25.143 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 7.493 16.396 -25.213 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 6.333 17.316 -24.903 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 -12.447 11.556 14.175 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 -12.837 12.396 13.935 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 -12.297 11.616 15.115 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.433 1.685 -9.483 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.303 1.415 -10.393 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.863 2.535 -9.543 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 17.853 6.537 15.299 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 18.503 5.837 15.379 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 17.063 6.097 14.989 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -21.105 -15.147 23.413 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -20.215 -14.817 23.573 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -20.975 -15.987 22.973 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -6.935 -14.684 2.531 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -7.815 -14.974 2.771 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -7.085 -13.904 1.991 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 -14.045 -11.036 -20.863 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 -14.245 -10.436 -20.143 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 -13.905 -11.876 -20.443 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 8.265 -18.127 9.317 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 9.015 -17.677 8.927 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 8.575 -19.017 9.487 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 -5.138 2.795 0.567 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 -4.338 3.305 0.737 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 -5.848 3.445 0.607 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 21.424 -7.035 24.223 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 20.704 -6.415 24.093 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 21.034 -7.895 24.043 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 1.434 16.757 -14.737 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 2.194 16.257 -14.457 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 1.754 17.307 -15.457 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -13.215 -15.448 -17.443 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -13.865 -15.408 -16.743 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -13.375 -14.658 -17.963 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 9.914 -13.257 -8.167 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 10.304 -13.697 -7.407 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 10.574 -12.597 -8.417 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 20.315 -15.406 22.365 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 20.725 -16.036 22.965 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 19.425 -15.736 22.235 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 -3.835 15.510 12.955 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 -3.245 16.230 13.195 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 -4.085 15.690 12.054 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 -24.767 12.297 4.373 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 -25.477 12.927 4.353 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 -24.677 12.057 5.293 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 8.333 19.494 13.571 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 8.313 19.534 14.531 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 9.093 20.024 13.321 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -5.589 18.784 -23.137 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -5.559 17.834 -23.237 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -6.509 19.014 -23.307 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 -13.538 -12.165 -0.023 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 -14.368 -12.375 0.417 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 -13.548 -11.215 -0.123 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 11.883 6.982 -17.089 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 12.513 7.472 -16.559 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 11.413 7.662 -17.579 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 6.624 -16.599 2.085 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 6.624 -16.929 2.985 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 6.724 -17.379 1.545 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 11.944 20.397 21.371 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 11.114 19.917 21.341 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 11.684 21.317 21.311 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -7.375 -21.680 -13.663 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -7.975 -22.240 -13.163 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -6.525 -21.790 -13.233 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 12.315 7.131 -6.055 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 13.075 6.601 -5.815 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 11.675 6.501 -6.385 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 6.826 1.916 -8.651 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 7.546 2.456 -8.991 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 6.596 1.346 -9.391 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -7.726 -13.461 7.469 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -6.876 -13.221 7.089 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -7.836 -12.871 8.209 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 16.793 17.625 -2.715 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 17.243 17.715 -3.545 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 17.043 18.405 -2.215 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -7.596 0.097 -12.647 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -8.246 0.177 -13.347 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -6.916 -0.453 -13.007 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -17.221 9.315 9.831 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -16.391 9.375 10.301 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -17.091 8.595 9.221 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 16.466 -6.689 16.411 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 15.516 -6.599 16.571 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 16.816 -5.829 16.631 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 6.150 20.027 3.803 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 6.210 20.557 4.603 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 5.940 19.147 4.113 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -24.799 -11.648 -14.712 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -24.529 -12.198 -15.452 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -24.049 -11.058 -14.562 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -11.961 -10.020 12.827 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -12.681 -10.090 13.457 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -11.551 -9.180 13.027 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 13.805 -23.828 2.027 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 13.525 -23.518 2.887 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 14.535 -23.258 1.797 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -15.367 1.885 -10.285 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -14.747 1.795 -11.015 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -15.537 2.825 -10.225 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.415 21.795 15.558 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.075 21.745 16.458 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 22.075 21.015 15.128 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 -11.728 -10.805 20.365 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 -12.368 -11.215 19.785 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 -11.238 -10.205 19.795 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 12.725 -19.581 -1.242 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 13.125 -18.781 -0.902 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 12.505 -20.091 -0.462 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.132 -1.817 -3.051 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.768 -1.607 -3.281 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.662 -1.247 -3.611 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 -7.056 23.397 9.423 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 -7.606 22.607 9.463 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 -6.196 23.067 9.173 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 -10.163 -3.439 -7.657 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 -9.663 -2.859 -7.077 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 -10.993 -2.969 -7.807 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -16.093 -0.847 -21.756 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -16.123 -1.147 -20.856 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -15.503 -0.097 -21.746 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -2.295 4.998 23.953 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -2.005 4.188 24.373 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -1.945 5.698 24.503 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 22.084 -20.926 12.742 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 21.774 -20.056 12.972 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 21.904 -21.456 13.532 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -5.154 -23.997 3.817 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -5.944 -24.217 3.327 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -5.344 -23.157 4.217 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 16.591 -22.555 2.539 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 17.451 -22.965 2.639 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 16.591 -22.205 1.649 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.321 -6.865 -15.982 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.331 -7.695 -16.452 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -21.711 -7.065 -15.132 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 -8.193 18.292 -23.906 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 -8.333 17.812 -24.716 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 -8.543 17.732 -23.226 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.244 -20.857 -19.707 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 16.954 -20.557 -20.567 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 17.494 -21.777 -19.837 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 7.646 11.573 9.077 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 7.736 11.393 10.007 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 6.696 11.623 8.937 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -5.686 -15.235 0.001 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -5.146 -14.665 0.551 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -6.586 -14.965 0.181 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -21.654 2.897 17.404 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -22.534 3.287 17.404 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.094 3.577 17.034 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 9.574 2.063 2.821 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 10.424 2.063 3.251 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 9.754 1.793 1.921 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 -20.894 -24.846 24.809 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 -21.484 -25.386 24.289 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 -21.464 -24.456 25.479 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -0.776 4.891 15.901 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -1.546 5.111 15.381 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -1.136 4.631 16.751 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 -10.625 -9.887 8.283 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 -11.045 -10.717 8.053 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 -11.355 -9.267 8.363 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 1.263 -12.365 -10.502 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 1.803 -12.255 -11.282 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 1.833 -12.805 -9.872 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 -21.045 -22.117 15.747 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 -20.255 -22.477 16.147 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 -21.675 -22.057 16.457 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -8.223 -6.341 -22.093 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -8.153 -7.291 -22.253 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -8.923 -6.051 -22.673 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 13.067 14.843 -4.599 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 12.817 15.503 -3.959 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 12.957 14.003 -4.139 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -20.477 -7.265 -6.103 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -20.017 -7.805 -6.743 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.657 -7.855 -5.373 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 -20.490 -16.668 -14.047 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 -19.790 -17.128 -13.587 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -21.240 -17.258 -14.007 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 -24.244 3.071 23.035 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 -24.134 3.161 22.095 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 -23.454 2.591 23.325 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 8.295 -1.458 9.473 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 8.545 -1.578 10.393 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 7.505 -0.928 9.503 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 1.141 -9.808 9.237 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 0.721 -9.868 10.097 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 0.821 -10.568 8.767 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 7.791 -18.779 0.727 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 8.481 -18.379 1.267 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 7.741 -18.219 -0.053 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 -8.758 -16.593 -12.962 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 -8.708 -17.543 -13.052 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 -9.678 -16.413 -12.762 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 12.804 -5.996 -16.145 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 12.364 -5.506 -16.835 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 13.704 -5.656 -16.145 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -23.147 -19.358 -20.303 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -22.617 -18.568 -20.363 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -23.677 -19.348 -21.103 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 16.097 -10.008 -15.089 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 16.677 -9.968 -15.849 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 15.337 -9.488 -15.339 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -5.998 -2.727 -21.339 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -5.858 -3.667 -21.229 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -6.948 -2.627 -21.319 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -23.427 15.144 -10.146 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -22.497 15.024 -9.946 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -23.487 15.024 -11.086 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 21.512 -15.497 -13.591 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 21.952 -14.837 -14.121 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 20.592 -15.237 -13.601 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 9.811 -9.476 12.768 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 9.861 -8.606 13.169 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 8.891 -9.596 12.568 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -21.714 7.873 -22.981 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -20.774 7.773 -22.841 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -21.814 7.993 -23.921 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 10.876 21.304 -12.243 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 11.186 20.694 -11.573 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 9.946 21.434 -12.043 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -23.426 -0.255 -18.267 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -22.866 -0.745 -18.867 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.236 -0.765 -18.217 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -12.649 17.894 10.651 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -13.449 17.464 10.341 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -12.929 18.404 11.411 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 11.085 -11.084 -9.613 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 10.315 -10.884 -10.143 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 11.045 -10.484 -8.873 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 7.789 -22.976 11.197 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 7.449 -23.376 10.397 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 8.619 -22.576 10.927 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 22.865 -12.509 -15.462 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 23.565 -11.879 -15.292 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 22.935 -12.689 -16.402 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.087 16.922 -17.306 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.857 17.212 -16.826 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 12.847 17.682 -17.846 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 18.585 9.436 -24.565 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 19.475 9.086 -24.525 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 18.515 9.986 -23.785 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 5.977 9.214 -12.167 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 6.577 9.954 -12.087 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 6.267 8.584 -11.507 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 9.772 1.775 7.074 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 9.762 2.585 6.565 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 9.672 1.075 6.425 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 4.424 -24.938 10.765 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 4.804 -25.808 10.925 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 4.784 -24.668 9.925 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 -7.895 3.791 -24.659 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 -8.685 4.031 -25.159 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 -8.225 3.571 -23.789 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 -22.355 5.234 -21.109 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 -21.685 5.914 -21.029 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 -22.655 5.294 -22.019 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -3.641 -23.426 -19.872 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -4.351 -24.016 -20.102 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -4.051 -22.716 -19.372 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 20.354 -0.316 11.988 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 20.714 -1.186 12.118 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 20.754 -0.006 11.168 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 11.026 -15.928 3.403 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 11.726 -15.448 3.843 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 11.406 -16.788 3.203 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -17.146 -7.921 15.319 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -17.936 -7.861 14.789 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -17.246 -7.271 15.999 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 21.272 -12.210 -0.085 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 21.672 -11.560 0.485 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 20.492 -11.790 -0.425 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -15.366 3.796 10.868 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -16.046 3.126 10.968 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -15.006 3.626 9.998 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 17.780 -0.278 -4.937 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 18.150 0.582 -4.757 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 17.110 -0.398 -4.257 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -25.403 -3.225 -12.695 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -24.723 -3.115 -12.025 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -25.103 -2.685 -13.425 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 24.025 23.673 -20.931 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 24.425 23.353 -20.121 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 24.735 24.123 -21.381 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -24.558 -22.707 6.473 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -24.688 -22.847 7.413 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -25.228 -23.247 6.053 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 -8.117 12.551 -20.969 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 -7.927 12.411 -20.039 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 -8.217 13.501 -21.049 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 -15.545 17.097 -4.286 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 -14.595 17.107 -4.156 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 -15.905 17.077 -3.396 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 -14.725 5.813 -5.299 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 -13.865 5.793 -4.859 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 -15.355 5.863 -4.579 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -10.065 -17.796 -23.647 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 -9.655 -18.636 -23.857 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -9.555 -17.446 -22.927 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 -5.407 -2.939 20.811 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 -4.567 -2.629 20.471 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 -5.177 -3.499 21.551 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 7.836 -10.455 -13.872 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 7.366 -11.275 -13.712 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 7.936 -10.405 -14.822 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 -13.854 11.053 -13.539 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 -13.044 11.513 -13.769 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 -14.354 11.693 -13.029 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 -4.136 -24.537 -10.846 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 -5.046 -24.267 -10.786 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 -3.636 -23.737 -10.666 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 -2.173 -13.338 6.043 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 -1.753 -14.078 6.463 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 -3.063 -13.638 5.863 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 15.486 15.582 -23.492 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -17.527 -13.684 -6.647 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 21.125 2.284 -14.589 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 -2.807 7.753 -4.811 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.603 -3.364 3.593 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 5.542 22.363 -23.841 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 8.315 -24.897 -21.613 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -15.746 18.125 8.049 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 -8.165 -21.136 18.299 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -19.893 5.453 13.171 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 21.145 6.834 22.083 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.085 18.755 24.699 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 8.144 -10.348 19.603 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 -6.457 -22.107 20.319 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -14.993 21.141 23.557 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 2.855 -1.355 1.377 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 3.077 22.274 -23.291 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/generators/ntl9_1ns_1/structure.psf b/adaptivemd/generators/ntl9_1ns_1/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_1/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 0 + 750 WT0 129 TIP3 H1 HT 0.417000 1.0080 0 + 751 WT0 129 TIP3 H2 HT 0.417000 1.0080 0 + 752 WT0 130 TIP3 OH2 OT -0.834000 15.9994 0 + 753 WT0 130 TIP3 H1 HT 0.417000 1.0080 0 + 754 WT0 130 TIP3 H2 HT 0.417000 1.0080 0 + 755 WT0 133 TIP3 OH2 OT -0.834000 15.9994 0 + 756 WT0 133 TIP3 H1 HT 0.417000 1.0080 0 + 757 WT0 133 TIP3 H2 HT 0.417000 1.0080 0 + 758 WT0 134 TIP3 OH2 OT -0.834000 15.9994 0 + 759 WT0 134 TIP3 H1 HT 0.417000 1.0080 0 + 760 WT0 134 TIP3 H2 HT 0.417000 1.0080 0 + 761 WT0 135 TIP3 OH2 OT -0.834000 15.9994 0 + 762 WT0 135 TIP3 H1 HT 0.417000 1.0080 0 + 763 WT0 135 TIP3 H2 HT 0.417000 1.0080 0 + 764 WT0 137 TIP3 OH2 OT -0.834000 15.9994 0 + 765 WT0 137 TIP3 H1 HT 0.417000 1.0080 0 + 766 WT0 137 TIP3 H2 HT 0.417000 1.0080 0 + 767 WT0 145 TIP3 OH2 OT -0.834000 15.9994 0 + 768 WT0 145 TIP3 H1 HT 0.417000 1.0080 0 + 769 WT0 145 TIP3 H2 HT 0.417000 1.0080 0 + 770 WT0 146 TIP3 OH2 OT -0.834000 15.9994 0 + 771 WT0 146 TIP3 H1 HT 0.417000 1.0080 0 + 772 WT0 146 TIP3 H2 HT 0.417000 1.0080 0 + 773 WT0 149 TIP3 OH2 OT -0.834000 15.9994 0 + 774 WT0 149 TIP3 H1 HT 0.417000 1.0080 0 + 775 WT0 149 TIP3 H2 HT 0.417000 1.0080 0 + 776 WT0 150 TIP3 OH2 OT -0.834000 15.9994 0 + 777 WT0 150 TIP3 H1 HT 0.417000 1.0080 0 + 778 WT0 150 TIP3 H2 HT 0.417000 1.0080 0 + 779 WT0 152 TIP3 OH2 OT -0.834000 15.9994 0 + 780 WT0 152 TIP3 H1 HT 0.417000 1.0080 0 + 781 WT0 152 TIP3 H2 HT 0.417000 1.0080 0 + 782 WT0 153 TIP3 OH2 OT -0.834000 15.9994 0 + 783 WT0 153 TIP3 H1 HT 0.417000 1.0080 0 + 784 WT0 153 TIP3 H2 HT 0.417000 1.0080 0 + 785 WT0 155 TIP3 OH2 OT -0.834000 15.9994 0 + 786 WT0 155 TIP3 H1 HT 0.417000 1.0080 0 + 787 WT0 155 TIP3 H2 HT 0.417000 1.0080 0 + 788 WT0 156 TIP3 OH2 OT -0.834000 15.9994 0 + 789 WT0 156 TIP3 H1 HT 0.417000 1.0080 0 + 790 WT0 156 TIP3 H2 HT 0.417000 1.0080 0 + 791 WT0 160 TIP3 OH2 OT -0.834000 15.9994 0 + 792 WT0 160 TIP3 H1 HT 0.417000 1.0080 0 + 793 WT0 160 TIP3 H2 HT 0.417000 1.0080 0 + 794 WT0 162 TIP3 OH2 OT -0.834000 15.9994 0 + 795 WT0 162 TIP3 H1 HT 0.417000 1.0080 0 + 796 WT0 162 TIP3 H2 HT 0.417000 1.0080 0 + 797 WT0 163 TIP3 OH2 OT -0.834000 15.9994 0 + 798 WT0 163 TIP3 H1 HT 0.417000 1.0080 0 + 799 WT0 163 TIP3 H2 HT 0.417000 1.0080 0 + 800 WT0 167 TIP3 OH2 OT -0.834000 15.9994 0 + 801 WT0 167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 + 818 WT0 190 TIP3 OH2 OT -0.834000 15.9994 0 + 819 WT0 190 TIP3 H1 HT 0.417000 1.0080 0 + 820 WT0 190 TIP3 H2 HT 0.417000 1.0080 0 + 821 WT0 191 TIP3 OH2 OT -0.834000 15.9994 0 + 822 WT0 191 TIP3 H1 HT 0.417000 1.0080 0 + 823 WT0 191 TIP3 H2 HT 0.417000 1.0080 0 + 824 WT0 195 TIP3 OH2 OT -0.834000 15.9994 0 + 825 WT0 195 TIP3 H1 HT 0.417000 1.0080 0 + 826 WT0 195 TIP3 H2 HT 0.417000 1.0080 0 + 827 WT0 196 TIP3 OH2 OT -0.834000 15.9994 0 + 828 WT0 196 TIP3 H1 HT 0.417000 1.0080 0 + 829 WT0 196 TIP3 H2 HT 0.417000 1.0080 0 + 830 WT0 198 TIP3 OH2 OT -0.834000 15.9994 0 + 831 WT0 198 TIP3 H1 HT 0.417000 1.0080 0 + 832 WT0 198 TIP3 H2 HT 0.417000 1.0080 0 + 833 WT0 201 TIP3 OH2 OT -0.834000 15.9994 0 + 834 WT0 201 TIP3 H1 HT 0.417000 1.0080 0 + 835 WT0 201 TIP3 H2 HT 0.417000 1.0080 0 + 836 WT0 202 TIP3 OH2 OT -0.834000 15.9994 0 + 837 WT0 202 TIP3 H1 HT 0.417000 1.0080 0 + 838 WT0 202 TIP3 H2 HT 0.417000 1.0080 0 + 839 WT0 205 TIP3 OH2 OT -0.834000 15.9994 0 + 840 WT0 205 TIP3 H1 HT 0.417000 1.0080 0 + 841 WT0 205 TIP3 H2 HT 0.417000 1.0080 0 + 842 WT0 206 TIP3 OH2 OT -0.834000 15.9994 0 + 843 WT0 206 TIP3 H1 HT 0.417000 1.0080 0 + 844 WT0 206 TIP3 H2 HT 0.417000 1.0080 0 + 845 WT0 212 TIP3 OH2 OT -0.834000 15.9994 0 + 846 WT0 212 TIP3 H1 HT 0.417000 1.0080 0 + 847 WT0 212 TIP3 H2 HT 0.417000 1.0080 0 + 848 WT0 222 TIP3 OH2 OT -0.834000 15.9994 0 + 849 WT0 222 TIP3 H1 HT 0.417000 1.0080 0 + 850 WT0 222 TIP3 H2 HT 0.417000 1.0080 0 + 851 WT0 225 TIP3 OH2 OT -0.834000 15.9994 0 + 852 WT0 225 TIP3 H1 HT 0.417000 1.0080 0 + 853 WT0 225 TIP3 H2 HT 0.417000 1.0080 0 + 854 WT0 231 TIP3 OH2 OT -0.834000 15.9994 0 + 855 WT0 231 TIP3 H1 HT 0.417000 1.0080 0 + 856 WT0 231 TIP3 H2 HT 0.417000 1.0080 0 + 857 WT0 235 TIP3 OH2 OT -0.834000 15.9994 0 + 858 WT0 235 TIP3 H1 HT 0.417000 1.0080 0 + 859 WT0 235 TIP3 H2 HT 0.417000 1.0080 0 + 860 WT0 237 TIP3 OH2 OT -0.834000 15.9994 0 + 861 WT0 237 TIP3 H1 HT 0.417000 1.0080 0 + 862 WT0 237 TIP3 H2 HT 0.417000 1.0080 0 + 863 WT0 238 TIP3 OH2 OT -0.834000 15.9994 0 + 864 WT0 238 TIP3 H1 HT 0.417000 1.0080 0 + 865 WT0 238 TIP3 H2 HT 0.417000 1.0080 0 + 866 WT0 239 TIP3 OH2 OT -0.834000 15.9994 0 + 867 WT0 239 TIP3 H1 HT 0.417000 1.0080 0 + 868 WT0 239 TIP3 H2 HT 0.417000 1.0080 0 + 869 WT0 252 TIP3 OH2 OT -0.834000 15.9994 0 + 870 WT0 252 TIP3 H1 HT 0.417000 1.0080 0 + 871 WT0 252 TIP3 H2 HT 0.417000 1.0080 0 + 872 WT0 253 TIP3 OH2 OT -0.834000 15.9994 0 + 873 WT0 253 TIP3 H1 HT 0.417000 1.0080 0 + 874 WT0 253 TIP3 H2 HT 0.417000 1.0080 0 + 875 WT0 255 TIP3 OH2 OT -0.834000 15.9994 0 + 876 WT0 255 TIP3 H1 HT 0.417000 1.0080 0 + 877 WT0 255 TIP3 H2 HT 0.417000 1.0080 0 + 878 WT0 257 TIP3 OH2 OT -0.834000 15.9994 0 + 879 WT0 257 TIP3 H1 HT 0.417000 1.0080 0 + 880 WT0 257 TIP3 H2 HT 0.417000 1.0080 0 + 881 WT0 258 TIP3 OH2 OT -0.834000 15.9994 0 + 882 WT0 258 TIP3 H1 HT 0.417000 1.0080 0 + 883 WT0 258 TIP3 H2 HT 0.417000 1.0080 0 + 884 WT0 259 TIP3 OH2 OT -0.834000 15.9994 0 + 885 WT0 259 TIP3 H1 HT 0.417000 1.0080 0 + 886 WT0 259 TIP3 H2 HT 0.417000 1.0080 0 + 887 WT0 261 TIP3 OH2 OT -0.834000 15.9994 0 + 888 WT0 261 TIP3 H1 HT 0.417000 1.0080 0 + 889 WT0 261 TIP3 H2 HT 0.417000 1.0080 0 + 890 WT0 262 TIP3 OH2 OT -0.834000 15.9994 0 + 891 WT0 262 TIP3 H1 HT 0.417000 1.0080 0 + 892 WT0 262 TIP3 H2 HT 0.417000 1.0080 0 + 893 WT0 267 TIP3 OH2 OT -0.834000 15.9994 0 + 894 WT0 267 TIP3 H1 HT 0.417000 1.0080 0 + 895 WT0 267 TIP3 H2 HT 0.417000 1.0080 0 + 896 WT0 281 TIP3 OH2 OT -0.834000 15.9994 0 + 897 WT0 281 TIP3 H1 HT 0.417000 1.0080 0 + 898 WT0 281 TIP3 H2 HT 0.417000 1.0080 0 + 899 WT0 282 TIP3 OH2 OT -0.834000 15.9994 0 + 900 WT0 282 TIP3 H1 HT 0.417000 1.0080 0 + 901 WT0 282 TIP3 H2 HT 0.417000 1.0080 0 + 902 WT0 284 TIP3 OH2 OT -0.834000 15.9994 0 + 903 WT0 284 TIP3 H1 HT 0.417000 1.0080 0 + 904 WT0 284 TIP3 H2 HT 0.417000 1.0080 0 + 905 WT0 285 TIP3 OH2 OT -0.834000 15.9994 0 + 906 WT0 285 TIP3 H1 HT 0.417000 1.0080 0 + 907 WT0 285 TIP3 H2 HT 0.417000 1.0080 0 + 908 WT0 295 TIP3 OH2 OT -0.834000 15.9994 0 + 909 WT0 295 TIP3 H1 HT 0.417000 1.0080 0 + 910 WT0 295 TIP3 H2 HT 0.417000 1.0080 0 + 911 WT0 302 TIP3 OH2 OT -0.834000 15.9994 0 + 912 WT0 302 TIP3 H1 HT 0.417000 1.0080 0 + 913 WT0 302 TIP3 H2 HT 0.417000 1.0080 0 + 914 WT0 306 TIP3 OH2 OT -0.834000 15.9994 0 + 915 WT0 306 TIP3 H1 HT 0.417000 1.0080 0 + 916 WT0 306 TIP3 H2 HT 0.417000 1.0080 0 + 917 WT0 316 TIP3 OH2 OT -0.834000 15.9994 0 + 918 WT0 316 TIP3 H1 HT 0.417000 1.0080 0 + 919 WT0 316 TIP3 H2 HT 0.417000 1.0080 0 + 920 WT0 322 TIP3 OH2 OT -0.834000 15.9994 0 + 921 WT0 322 TIP3 H1 HT 0.417000 1.0080 0 + 922 WT0 322 TIP3 H2 HT 0.417000 1.0080 0 + 923 WT0 325 TIP3 OH2 OT -0.834000 15.9994 0 + 924 WT0 325 TIP3 H1 HT 0.417000 1.0080 0 + 925 WT0 325 TIP3 H2 HT 0.417000 1.0080 0 + 926 WT0 327 TIP3 OH2 OT -0.834000 15.9994 0 + 927 WT0 327 TIP3 H1 HT 0.417000 1.0080 0 + 928 WT0 327 TIP3 H2 HT 0.417000 1.0080 0 + 929 WT0 328 TIP3 OH2 OT -0.834000 15.9994 0 + 930 WT0 328 TIP3 H1 HT 0.417000 1.0080 0 + 931 WT0 328 TIP3 H2 HT 0.417000 1.0080 0 + 932 WT0 332 TIP3 OH2 OT -0.834000 15.9994 0 + 933 WT0 332 TIP3 H1 HT 0.417000 1.0080 0 + 934 WT0 332 TIP3 H2 HT 0.417000 1.0080 0 + 935 WT0 338 TIP3 OH2 OT -0.834000 15.9994 0 + 936 WT0 338 TIP3 H1 HT 0.417000 1.0080 0 + 937 WT0 338 TIP3 H2 HT 0.417000 1.0080 0 + 938 WT0 344 TIP3 OH2 OT -0.834000 15.9994 0 + 939 WT0 344 TIP3 H1 HT 0.417000 1.0080 0 + 940 WT0 344 TIP3 H2 HT 0.417000 1.0080 0 + 941 WT0 361 TIP3 OH2 OT -0.834000 15.9994 0 + 942 WT0 361 TIP3 H1 HT 0.417000 1.0080 0 + 943 WT0 361 TIP3 H2 HT 0.417000 1.0080 0 + 944 WT0 365 TIP3 OH2 OT -0.834000 15.9994 0 + 945 WT0 365 TIP3 H1 HT 0.417000 1.0080 0 + 946 WT0 365 TIP3 H2 HT 0.417000 1.0080 0 + 947 WT0 367 TIP3 OH2 OT -0.834000 15.9994 0 + 948 WT0 367 TIP3 H1 HT 0.417000 1.0080 0 + 949 WT0 367 TIP3 H2 HT 0.417000 1.0080 0 + 950 WT0 368 TIP3 OH2 OT -0.834000 15.9994 0 + 951 WT0 368 TIP3 H1 HT 0.417000 1.0080 0 + 952 WT0 368 TIP3 H2 HT 0.417000 1.0080 0 + 953 WT0 369 TIP3 OH2 OT -0.834000 15.9994 0 + 954 WT0 369 TIP3 H1 HT 0.417000 1.0080 0 + 955 WT0 369 TIP3 H2 HT 0.417000 1.0080 0 + 956 WT0 391 TIP3 OH2 OT -0.834000 15.9994 0 + 957 WT0 391 TIP3 H1 HT 0.417000 1.0080 0 + 958 WT0 391 TIP3 H2 HT 0.417000 1.0080 0 + 959 WT0 403 TIP3 OH2 OT -0.834000 15.9994 0 + 960 WT0 403 TIP3 H1 HT 0.417000 1.0080 0 + 961 WT0 403 TIP3 H2 HT 0.417000 1.0080 0 + 962 WT0 409 TIP3 OH2 OT -0.834000 15.9994 0 + 963 WT0 409 TIP3 H1 HT 0.417000 1.0080 0 + 964 WT0 409 TIP3 H2 HT 0.417000 1.0080 0 + 965 WT0 411 TIP3 OH2 OT -0.834000 15.9994 0 + 966 WT0 411 TIP3 H1 HT 0.417000 1.0080 0 + 967 WT0 411 TIP3 H2 HT 0.417000 1.0080 0 + 968 WT0 424 TIP3 OH2 OT -0.834000 15.9994 0 + 969 WT0 424 TIP3 H1 HT 0.417000 1.0080 0 + 970 WT0 424 TIP3 H2 HT 0.417000 1.0080 0 + 971 WT0 432 TIP3 OH2 OT -0.834000 15.9994 0 + 972 WT0 432 TIP3 H1 HT 0.417000 1.0080 0 + 973 WT0 432 TIP3 H2 HT 0.417000 1.0080 0 + 974 WT0 438 TIP3 OH2 OT -0.834000 15.9994 0 + 975 WT0 438 TIP3 H1 HT 0.417000 1.0080 0 + 976 WT0 438 TIP3 H2 HT 0.417000 1.0080 0 + 977 WT0 442 TIP3 OH2 OT -0.834000 15.9994 0 + 978 WT0 442 TIP3 H1 HT 0.417000 1.0080 0 + 979 WT0 442 TIP3 H2 HT 0.417000 1.0080 0 + 980 WT0 443 TIP3 OH2 OT -0.834000 15.9994 0 + 981 WT0 443 TIP3 H1 HT 0.417000 1.0080 0 + 982 WT0 443 TIP3 H2 HT 0.417000 1.0080 0 + 983 WT0 446 TIP3 OH2 OT -0.834000 15.9994 0 + 984 WT0 446 TIP3 H1 HT 0.417000 1.0080 0 + 985 WT0 446 TIP3 H2 HT 0.417000 1.0080 0 + 986 WT0 450 TIP3 OH2 OT -0.834000 15.9994 0 + 987 WT0 450 TIP3 H1 HT 0.417000 1.0080 0 + 988 WT0 450 TIP3 H2 HT 0.417000 1.0080 0 + 989 WT0 452 TIP3 OH2 OT -0.834000 15.9994 0 + 990 WT0 452 TIP3 H1 HT 0.417000 1.0080 0 + 991 WT0 452 TIP3 H2 HT 0.417000 1.0080 0 + 992 WT0 457 TIP3 OH2 OT -0.834000 15.9994 0 + 993 WT0 457 TIP3 H1 HT 0.417000 1.0080 0 + 994 WT0 457 TIP3 H2 HT 0.417000 1.0080 0 + 995 WT0 465 TIP3 OH2 OT -0.834000 15.9994 0 + 996 WT0 465 TIP3 H1 HT 0.417000 1.0080 0 + 997 WT0 465 TIP3 H2 HT 0.417000 1.0080 0 + 998 WT0 466 TIP3 OH2 OT -0.834000 15.9994 0 + 999 WT0 466 TIP3 H1 HT 0.417000 1.0080 0 + 1000 WT0 466 TIP3 H2 HT 0.417000 1.0080 0 + 1001 WT0 469 TIP3 OH2 OT -0.834000 15.9994 0 + 1002 WT0 469 TIP3 H1 HT 0.417000 1.0080 0 + 1003 WT0 469 TIP3 H2 HT 0.417000 1.0080 0 + 1004 WT0 479 TIP3 OH2 OT -0.834000 15.9994 0 + 1005 WT0 479 TIP3 H1 HT 0.417000 1.0080 0 + 1006 WT0 479 TIP3 H2 HT 0.417000 1.0080 0 + 1007 WT0 484 TIP3 OH2 OT -0.834000 15.9994 0 + 1008 WT0 484 TIP3 H1 HT 0.417000 1.0080 0 + 1009 WT0 484 TIP3 H2 HT 0.417000 1.0080 0 + 1010 WT0 485 TIP3 OH2 OT -0.834000 15.9994 0 + 1011 WT0 485 TIP3 H1 HT 0.417000 1.0080 0 + 1012 WT0 485 TIP3 H2 HT 0.417000 1.0080 0 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WT0 498 TIP3 H1 HT 0.417000 1.0080 0 + 1036 WT0 498 TIP3 H2 HT 0.417000 1.0080 0 + 1037 WT0 500 TIP3 OH2 OT -0.834000 15.9994 0 + 1038 WT0 500 TIP3 H1 HT 0.417000 1.0080 0 + 1039 WT0 500 TIP3 H2 HT 0.417000 1.0080 0 + 1040 WT0 503 TIP3 OH2 OT -0.834000 15.9994 0 + 1041 WT0 503 TIP3 H1 HT 0.417000 1.0080 0 + 1042 WT0 503 TIP3 H2 HT 0.417000 1.0080 0 + 1043 WT0 506 TIP3 OH2 OT -0.834000 15.9994 0 + 1044 WT0 506 TIP3 H1 HT 0.417000 1.0080 0 + 1045 WT0 506 TIP3 H2 HT 0.417000 1.0080 0 + 1046 WT0 507 TIP3 OH2 OT -0.834000 15.9994 0 + 1047 WT0 507 TIP3 H1 HT 0.417000 1.0080 0 + 1048 WT0 507 TIP3 H2 HT 0.417000 1.0080 0 + 1049 WT0 508 TIP3 OH2 OT -0.834000 15.9994 0 + 1050 WT0 508 TIP3 H1 HT 0.417000 1.0080 0 + 1051 WT0 508 TIP3 H2 HT 0.417000 1.0080 0 + 1052 WT0 509 TIP3 OH2 OT -0.834000 15.9994 0 + 1053 WT0 509 TIP3 H1 HT 0.417000 1.0080 0 + 1054 WT0 509 TIP3 H2 HT 0.417000 1.0080 0 + 1055 WT0 511 TIP3 OH2 OT -0.834000 15.9994 0 + 1056 WT0 511 TIP3 H1 HT 0.417000 1.0080 0 + 1057 WT0 511 TIP3 H2 HT 0.417000 1.0080 0 + 1058 WT0 512 TIP3 OH2 OT -0.834000 15.9994 0 + 1059 WT0 512 TIP3 H1 HT 0.417000 1.0080 0 + 1060 WT0 512 TIP3 H2 HT 0.417000 1.0080 0 + 1061 WT0 514 TIP3 OH2 OT -0.834000 15.9994 0 + 1062 WT0 514 TIP3 H1 HT 0.417000 1.0080 0 + 1063 WT0 514 TIP3 H2 HT 0.417000 1.0080 0 + 1064 WT0 515 TIP3 OH2 OT -0.834000 15.9994 0 + 1065 WT0 515 TIP3 H1 HT 0.417000 1.0080 0 + 1066 WT0 515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 + 1155 WT0 587 TIP3 H1 HT 0.417000 1.0080 0 + 1156 WT0 587 TIP3 H2 HT 0.417000 1.0080 0 + 1157 WT0 588 TIP3 OH2 OT -0.834000 15.9994 0 + 1158 WT0 588 TIP3 H1 HT 0.417000 1.0080 0 + 1159 WT0 588 TIP3 H2 HT 0.417000 1.0080 0 + 1160 WT0 591 TIP3 OH2 OT -0.834000 15.9994 0 + 1161 WT0 591 TIP3 H1 HT 0.417000 1.0080 0 + 1162 WT0 591 TIP3 H2 HT 0.417000 1.0080 0 + 1163 WT0 593 TIP3 OH2 OT -0.834000 15.9994 0 + 1164 WT0 593 TIP3 H1 HT 0.417000 1.0080 0 + 1165 WT0 593 TIP3 H2 HT 0.417000 1.0080 0 + 1166 WT0 594 TIP3 OH2 OT -0.834000 15.9994 0 + 1167 WT0 594 TIP3 H1 HT 0.417000 1.0080 0 + 1168 WT0 594 TIP3 H2 HT 0.417000 1.0080 0 + 1169 WT0 595 TIP3 OH2 OT -0.834000 15.9994 0 + 1170 WT0 595 TIP3 H1 HT 0.417000 1.0080 0 + 1171 WT0 595 TIP3 H2 HT 0.417000 1.0080 0 + 1172 WT0 598 TIP3 OH2 OT -0.834000 15.9994 0 + 1173 WT0 598 TIP3 H1 HT 0.417000 1.0080 0 + 1174 WT0 598 TIP3 H2 HT 0.417000 1.0080 0 + 1175 WT0 599 TIP3 OH2 OT -0.834000 15.9994 0 + 1176 WT0 599 TIP3 H1 HT 0.417000 1.0080 0 + 1177 WT0 599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 + 1266 WT0 676 TIP3 H1 HT 0.417000 1.0080 0 + 1267 WT0 676 TIP3 H2 HT 0.417000 1.0080 0 + 1268 WT0 677 TIP3 OH2 OT -0.834000 15.9994 0 + 1269 WT0 677 TIP3 H1 HT 0.417000 1.0080 0 + 1270 WT0 677 TIP3 H2 HT 0.417000 1.0080 0 + 1271 WT0 679 TIP3 OH2 OT -0.834000 15.9994 0 + 1272 WT0 679 TIP3 H1 HT 0.417000 1.0080 0 + 1273 WT0 679 TIP3 H2 HT 0.417000 1.0080 0 + 1274 WT0 680 TIP3 OH2 OT -0.834000 15.9994 0 + 1275 WT0 680 TIP3 H1 HT 0.417000 1.0080 0 + 1276 WT0 680 TIP3 H2 HT 0.417000 1.0080 0 + 1277 WT0 682 TIP3 OH2 OT -0.834000 15.9994 0 + 1278 WT0 682 TIP3 H1 HT 0.417000 1.0080 0 + 1279 WT0 682 TIP3 H2 HT 0.417000 1.0080 0 + 1280 WT0 684 TIP3 OH2 OT -0.834000 15.9994 0 + 1281 WT0 684 TIP3 H1 HT 0.417000 1.0080 0 + 1282 WT0 684 TIP3 H2 HT 0.417000 1.0080 0 + 1283 WT0 686 TIP3 OH2 OT -0.834000 15.9994 0 + 1284 WT0 686 TIP3 H1 HT 0.417000 1.0080 0 + 1285 WT0 686 TIP3 H2 HT 0.417000 1.0080 0 + 1286 WT0 687 TIP3 OH2 OT -0.834000 15.9994 0 + 1287 WT0 687 TIP3 H1 HT 0.417000 1.0080 0 + 1288 WT0 687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 0.417000 1.0080 0 + 1366 WT0 749 TIP3 H2 HT 0.417000 1.0080 0 + 1367 WT0 759 TIP3 OH2 OT -0.834000 15.9994 0 + 1368 WT0 759 TIP3 H1 HT 0.417000 1.0080 0 + 1369 WT0 759 TIP3 H2 HT 0.417000 1.0080 0 + 1370 WT0 761 TIP3 OH2 OT -0.834000 15.9994 0 + 1371 WT0 761 TIP3 H1 HT 0.417000 1.0080 0 + 1372 WT0 761 TIP3 H2 HT 0.417000 1.0080 0 + 1373 WT0 765 TIP3 OH2 OT -0.834000 15.9994 0 + 1374 WT0 765 TIP3 H1 HT 0.417000 1.0080 0 + 1375 WT0 765 TIP3 H2 HT 0.417000 1.0080 0 + 1376 WT0 778 TIP3 OH2 OT -0.834000 15.9994 0 + 1377 WT0 778 TIP3 H1 HT 0.417000 1.0080 0 + 1378 WT0 778 TIP3 H2 HT 0.417000 1.0080 0 + 1379 WT0 785 TIP3 OH2 OT -0.834000 15.9994 0 + 1380 WT0 785 TIP3 H1 HT 0.417000 1.0080 0 + 1381 WT0 785 TIP3 H2 HT 0.417000 1.0080 0 + 1382 WT0 787 TIP3 OH2 OT -0.834000 15.9994 0 + 1383 WT0 787 TIP3 H1 HT 0.417000 1.0080 0 + 1384 WT0 787 TIP3 H2 HT 0.417000 1.0080 0 + 1385 WT0 788 TIP3 OH2 OT -0.834000 15.9994 0 + 1386 WT0 788 TIP3 H1 HT 0.417000 1.0080 0 + 1387 WT0 788 TIP3 H2 HT 0.417000 1.0080 0 + 1388 WT0 793 TIP3 OH2 OT -0.834000 15.9994 0 + 1389 WT0 793 TIP3 H1 HT 0.417000 1.0080 0 + 1390 WT0 793 TIP3 H2 HT 0.417000 1.0080 0 + 1391 WT0 796 TIP3 OH2 OT -0.834000 15.9994 0 + 1392 WT0 796 TIP3 H1 HT 0.417000 1.0080 0 + 1393 WT0 796 TIP3 H2 HT 0.417000 1.0080 0 + 1394 WT0 806 TIP3 OH2 OT -0.834000 15.9994 0 + 1395 WT0 806 TIP3 H1 HT 0.417000 1.0080 0 + 1396 WT0 806 TIP3 H2 HT 0.417000 1.0080 0 + 1397 WT0 809 TIP3 OH2 OT -0.834000 15.9994 0 + 1398 WT0 809 TIP3 H1 HT 0.417000 1.0080 0 + 1399 WT0 809 TIP3 H2 HT 0.417000 1.0080 0 + 1400 WT0 811 TIP3 OH2 OT -0.834000 15.9994 0 + 1401 WT0 811 TIP3 H1 HT 0.417000 1.0080 0 + 1402 WT0 811 TIP3 H2 HT 0.417000 1.0080 0 + 1403 WT0 813 TIP3 OH2 OT -0.834000 15.9994 0 + 1404 WT0 813 TIP3 H1 HT 0.417000 1.0080 0 + 1405 WT0 813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT 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1.0080 0 + 1435 WT0 883 TIP3 H2 HT 0.417000 1.0080 0 + 1436 WT0 887 TIP3 OH2 OT -0.834000 15.9994 0 + 1437 WT0 887 TIP3 H1 HT 0.417000 1.0080 0 + 1438 WT0 887 TIP3 H2 HT 0.417000 1.0080 0 + 1439 WT0 889 TIP3 OH2 OT -0.834000 15.9994 0 + 1440 WT0 889 TIP3 H1 HT 0.417000 1.0080 0 + 1441 WT0 889 TIP3 H2 HT 0.417000 1.0080 0 + 1442 WT0 891 TIP3 OH2 OT -0.834000 15.9994 0 + 1443 WT0 891 TIP3 H1 HT 0.417000 1.0080 0 + 1444 WT0 891 TIP3 H2 HT 0.417000 1.0080 0 + 1445 WT0 894 TIP3 OH2 OT -0.834000 15.9994 0 + 1446 WT0 894 TIP3 H1 HT 0.417000 1.0080 0 + 1447 WT0 894 TIP3 H2 HT 0.417000 1.0080 0 + 1448 WT0 895 TIP3 OH2 OT -0.834000 15.9994 0 + 1449 WT0 895 TIP3 H1 HT 0.417000 1.0080 0 + 1450 WT0 895 TIP3 H2 HT 0.417000 1.0080 0 + 1451 WT0 897 TIP3 OH2 OT -0.834000 15.9994 0 + 1452 WT0 897 TIP3 H1 HT 0.417000 1.0080 0 + 1453 WT0 897 TIP3 H2 HT 0.417000 1.0080 0 + 1454 WT0 899 TIP3 OH2 OT -0.834000 15.9994 0 + 1455 WT0 899 TIP3 H1 HT 0.417000 1.0080 0 + 1456 WT0 899 TIP3 H2 HT 0.417000 1.0080 0 + 1457 WT0 906 TIP3 OH2 OT -0.834000 15.9994 0 + 1458 WT0 906 TIP3 H1 HT 0.417000 1.0080 0 + 1459 WT0 906 TIP3 H2 HT 0.417000 1.0080 0 + 1460 WT0 907 TIP3 OH2 OT -0.834000 15.9994 0 + 1461 WT0 907 TIP3 H1 HT 0.417000 1.0080 0 + 1462 WT0 907 TIP3 H2 HT 0.417000 1.0080 0 + 1463 WT0 908 TIP3 OH2 OT -0.834000 15.9994 0 + 1464 WT0 908 TIP3 H1 HT 0.417000 1.0080 0 + 1465 WT0 908 TIP3 H2 HT 0.417000 1.0080 0 + 1466 WT0 911 TIP3 OH2 OT -0.834000 15.9994 0 + 1467 WT0 911 TIP3 H1 HT 0.417000 1.0080 0 + 1468 WT0 911 TIP3 H2 HT 0.417000 1.0080 0 + 1469 WT0 912 TIP3 OH2 OT -0.834000 15.9994 0 + 1470 WT0 912 TIP3 H1 HT 0.417000 1.0080 0 + 1471 WT0 912 TIP3 H2 HT 0.417000 1.0080 0 + 1472 WT0 916 TIP3 OH2 OT -0.834000 15.9994 0 + 1473 WT0 916 TIP3 H1 HT 0.417000 1.0080 0 + 1474 WT0 916 TIP3 H2 HT 0.417000 1.0080 0 + 1475 WT0 917 TIP3 OH2 OT -0.834000 15.9994 0 + 1476 WT0 917 TIP3 H1 HT 0.417000 1.0080 0 + 1477 WT0 917 TIP3 H2 HT 0.417000 1.0080 0 + 1478 WT0 924 TIP3 OH2 OT -0.834000 15.9994 0 + 1479 WT0 924 TIP3 H1 HT 0.417000 1.0080 0 + 1480 WT0 924 TIP3 H2 HT 0.417000 1.0080 0 + 1481 WT0 927 TIP3 OH2 OT -0.834000 15.9994 0 + 1482 WT0 927 TIP3 H1 HT 0.417000 1.0080 0 + 1483 WT0 927 TIP3 H2 HT 0.417000 1.0080 0 + 1484 WT0 928 TIP3 OH2 OT -0.834000 15.9994 0 + 1485 WT0 928 TIP3 H1 HT 0.417000 1.0080 0 + 1486 WT0 928 TIP3 H2 HT 0.417000 1.0080 0 + 1487 WT0 929 TIP3 OH2 OT -0.834000 15.9994 0 + 1488 WT0 929 TIP3 H1 HT 0.417000 1.0080 0 + 1489 WT0 929 TIP3 H2 HT 0.417000 1.0080 0 + 1490 WT0 930 TIP3 OH2 OT -0.834000 15.9994 0 + 1491 WT0 930 TIP3 H1 HT 0.417000 1.0080 0 + 1492 WT0 930 TIP3 H2 HT 0.417000 1.0080 0 + 1493 WT0 932 TIP3 OH2 OT -0.834000 15.9994 0 + 1494 WT0 932 TIP3 H1 HT 0.417000 1.0080 0 + 1495 WT0 932 TIP3 H2 HT 0.417000 1.0080 0 + 1496 WT0 933 TIP3 OH2 OT -0.834000 15.9994 0 + 1497 WT0 933 TIP3 H1 HT 0.417000 1.0080 0 + 1498 WT0 933 TIP3 H2 HT 0.417000 1.0080 0 + 1499 WT0 936 TIP3 OH2 OT -0.834000 15.9994 0 + 1500 WT0 936 TIP3 H1 HT 0.417000 1.0080 0 + 1501 WT0 936 TIP3 H2 HT 0.417000 1.0080 0 + 1502 WT0 940 TIP3 OH2 OT -0.834000 15.9994 0 + 1503 WT0 940 TIP3 H1 HT 0.417000 1.0080 0 + 1504 WT0 940 TIP3 H2 HT 0.417000 1.0080 0 + 1505 WT0 941 TIP3 OH2 OT -0.834000 15.9994 0 + 1506 WT0 941 TIP3 H1 HT 0.417000 1.0080 0 + 1507 WT0 941 TIP3 H2 HT 0.417000 1.0080 0 + 1508 WT0 942 TIP3 OH2 OT -0.834000 15.9994 0 + 1509 WT0 942 TIP3 H1 HT 0.417000 1.0080 0 + 1510 WT0 942 TIP3 H2 HT 0.417000 1.0080 0 + 1511 WT0 947 TIP3 OH2 OT -0.834000 15.9994 0 + 1512 WT0 947 TIP3 H1 HT 0.417000 1.0080 0 + 1513 WT0 947 TIP3 H2 HT 0.417000 1.0080 0 + 1514 WT0 948 TIP3 OH2 OT -0.834000 15.9994 0 + 1515 WT0 948 TIP3 H1 HT 0.417000 1.0080 0 + 1516 WT0 948 TIP3 H2 HT 0.417000 1.0080 0 + 1517 WT0 949 TIP3 OH2 OT -0.834000 15.9994 0 + 1518 WT0 949 TIP3 H1 HT 0.417000 1.0080 0 + 1519 WT0 949 TIP3 H2 HT 0.417000 1.0080 0 + 1520 WT0 950 TIP3 OH2 OT -0.834000 15.9994 0 + 1521 WT0 950 TIP3 H1 HT 0.417000 1.0080 0 + 1522 WT0 950 TIP3 H2 HT 0.417000 1.0080 0 + 1523 WT0 951 TIP3 OH2 OT 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1.0080 0 + 1546 WT0 964 TIP3 H2 HT 0.417000 1.0080 0 + 1547 WT0 970 TIP3 OH2 OT -0.834000 15.9994 0 + 1548 WT0 970 TIP3 H1 HT 0.417000 1.0080 0 + 1549 WT0 970 TIP3 H2 HT 0.417000 1.0080 0 + 1550 WT0 972 TIP3 OH2 OT -0.834000 15.9994 0 + 1551 WT0 972 TIP3 H1 HT 0.417000 1.0080 0 + 1552 WT0 972 TIP3 H2 HT 0.417000 1.0080 0 + 1553 WT0 974 TIP3 OH2 OT -0.834000 15.9994 0 + 1554 WT0 974 TIP3 H1 HT 0.417000 1.0080 0 + 1555 WT0 974 TIP3 H2 HT 0.417000 1.0080 0 + 1556 WT0 975 TIP3 OH2 OT -0.834000 15.9994 0 + 1557 WT0 975 TIP3 H1 HT 0.417000 1.0080 0 + 1558 WT0 975 TIP3 H2 HT 0.417000 1.0080 0 + 1559 WT0 977 TIP3 OH2 OT -0.834000 15.9994 0 + 1560 WT0 977 TIP3 H1 HT 0.417000 1.0080 0 + 1561 WT0 977 TIP3 H2 HT 0.417000 1.0080 0 + 1562 WT0 978 TIP3 OH2 OT -0.834000 15.9994 0 + 1563 WT0 978 TIP3 H1 HT 0.417000 1.0080 0 + 1564 WT0 978 TIP3 H2 HT 0.417000 1.0080 0 + 1565 WT0 982 TIP3 OH2 OT -0.834000 15.9994 0 + 1566 WT0 982 TIP3 H1 HT 0.417000 1.0080 0 + 1567 WT0 982 TIP3 H2 HT 0.417000 1.0080 0 + 1568 WT0 983 TIP3 OH2 OT -0.834000 15.9994 0 + 1569 WT0 983 TIP3 H1 HT 0.417000 1.0080 0 + 1570 WT0 983 TIP3 H2 HT 0.417000 1.0080 0 + 1571 WT0 985 TIP3 OH2 OT -0.834000 15.9994 0 + 1572 WT0 985 TIP3 H1 HT 0.417000 1.0080 0 + 1573 WT0 985 TIP3 H2 HT 0.417000 1.0080 0 + 1574 WT0 988 TIP3 OH2 OT -0.834000 15.9994 0 + 1575 WT0 988 TIP3 H1 HT 0.417000 1.0080 0 + 1576 WT0 988 TIP3 H2 HT 0.417000 1.0080 0 + 1577 WT0 989 TIP3 OH2 OT -0.834000 15.9994 0 + 1578 WT0 989 TIP3 H1 HT 0.417000 1.0080 0 + 1579 WT0 989 TIP3 H2 HT 0.417000 1.0080 0 + 1580 WT0 990 TIP3 OH2 OT -0.834000 15.9994 0 + 1581 WT0 990 TIP3 H1 HT 0.417000 1.0080 0 + 1582 WT0 990 TIP3 H2 HT 0.417000 1.0080 0 + 1583 WT0 991 TIP3 OH2 OT -0.834000 15.9994 0 + 1584 WT0 991 TIP3 H1 HT 0.417000 1.0080 0 + 1585 WT0 991 TIP3 H2 HT 0.417000 1.0080 0 + 1586 WT0 992 TIP3 OH2 OT -0.834000 15.9994 0 + 1587 WT0 992 TIP3 H1 HT 0.417000 1.0080 0 + 1588 WT0 992 TIP3 H2 HT 0.417000 1.0080 0 + 1589 WT0 994 TIP3 OH2 OT -0.834000 15.9994 0 + 1590 WT0 994 TIP3 H1 HT 0.417000 1.0080 0 + 1591 WT0 994 TIP3 H2 HT 0.417000 1.0080 0 + 1592 WT0 995 TIP3 OH2 OT -0.834000 15.9994 0 + 1593 WT0 995 TIP3 H1 HT 0.417000 1.0080 0 + 1594 WT0 995 TIP3 H2 HT 0.417000 1.0080 0 + 1595 WT0 996 TIP3 OH2 OT -0.834000 15.9994 0 + 1596 WT0 996 TIP3 H1 HT 0.417000 1.0080 0 + 1597 WT0 996 TIP3 H2 HT 0.417000 1.0080 0 + 1598 WT0 1004 TIP3 OH2 OT -0.834000 15.9994 0 + 1599 WT0 1004 TIP3 H1 HT 0.417000 1.0080 0 + 1600 WT0 1004 TIP3 H2 HT 0.417000 1.0080 0 + 1601 WT0 1007 TIP3 OH2 OT -0.834000 15.9994 0 + 1602 WT0 1007 TIP3 H1 HT 0.417000 1.0080 0 + 1603 WT0 1007 TIP3 H2 HT 0.417000 1.0080 0 + 1604 WT0 1011 TIP3 OH2 OT -0.834000 15.9994 0 + 1605 WT0 1011 TIP3 H1 HT 0.417000 1.0080 0 + 1606 WT0 1011 TIP3 H2 HT 0.417000 1.0080 0 + 1607 WT0 1012 TIP3 OH2 OT -0.834000 15.9994 0 + 1608 WT0 1012 TIP3 H1 HT 0.417000 1.0080 0 + 1609 WT0 1012 TIP3 H2 HT 0.417000 1.0080 0 + 1610 WT0 1013 TIP3 OH2 OT -0.834000 15.9994 0 + 1611 WT0 1013 TIP3 H1 HT 0.417000 1.0080 0 + 1612 WT0 1013 TIP3 H2 HT 0.417000 1.0080 0 + 1613 WT0 1014 TIP3 OH2 OT -0.834000 15.9994 0 + 1614 WT0 1014 TIP3 H1 HT 0.417000 1.0080 0 + 1615 WT0 1014 TIP3 H2 HT 0.417000 1.0080 0 + 1616 WT0 1017 TIP3 OH2 OT -0.834000 15.9994 0 + 1617 WT0 1017 TIP3 H1 HT 0.417000 1.0080 0 + 1618 WT0 1017 TIP3 H2 HT 0.417000 1.0080 0 + 1619 WT0 1018 TIP3 OH2 OT -0.834000 15.9994 0 + 1620 WT0 1018 TIP3 H1 HT 0.417000 1.0080 0 + 1621 WT0 1018 TIP3 H2 HT 0.417000 1.0080 0 + 1622 WT0 1020 TIP3 OH2 OT -0.834000 15.9994 0 + 1623 WT0 1020 TIP3 H1 HT 0.417000 1.0080 0 + 1624 WT0 1020 TIP3 H2 HT 0.417000 1.0080 0 + 1625 WT0 1022 TIP3 OH2 OT -0.834000 15.9994 0 + 1626 WT0 1022 TIP3 H1 HT 0.417000 1.0080 0 + 1627 WT0 1022 TIP3 H2 HT 0.417000 1.0080 0 + 1628 WT0 1023 TIP3 OH2 OT -0.834000 15.9994 0 + 1629 WT0 1023 TIP3 H1 HT 0.417000 1.0080 0 + 1630 WT0 1023 TIP3 H2 HT 0.417000 1.0080 0 + 1631 WT0 1027 TIP3 OH2 OT -0.834000 15.9994 0 + 1632 WT0 1027 TIP3 H1 HT 0.417000 1.0080 0 + 1633 WT0 1027 TIP3 H2 HT 0.417000 1.0080 0 + 1634 WT0 1032 TIP3 OH2 OT -0.834000 15.9994 0 + 1635 WT0 1032 TIP3 H1 HT 0.417000 1.0080 0 + 1636 WT0 1032 TIP3 H2 HT 0.417000 1.0080 0 + 1637 WT0 1033 TIP3 OH2 OT -0.834000 15.9994 0 + 1638 WT0 1033 TIP3 H1 HT 0.417000 1.0080 0 + 1639 WT0 1033 TIP3 H2 HT 0.417000 1.0080 0 + 1640 WT0 1036 TIP3 OH2 OT -0.834000 15.9994 0 + 1641 WT0 1036 TIP3 H1 HT 0.417000 1.0080 0 + 1642 WT0 1036 TIP3 H2 HT 0.417000 1.0080 0 + 1643 WT0 1039 TIP3 OH2 OT -0.834000 15.9994 0 + 1644 WT0 1039 TIP3 H1 HT 0.417000 1.0080 0 + 1645 WT0 1039 TIP3 H2 HT 0.417000 1.0080 0 + 1646 WT0 1040 TIP3 OH2 OT -0.834000 15.9994 0 + 1647 WT0 1040 TIP3 H1 HT 0.417000 1.0080 0 + 1648 WT0 1040 TIP3 H2 HT 0.417000 1.0080 0 + 1649 WT0 1042 TIP3 OH2 OT -0.834000 15.9994 0 + 1650 WT0 1042 TIP3 H1 HT 0.417000 1.0080 0 + 1651 WT0 1042 TIP3 H2 HT 0.417000 1.0080 0 + 1652 WT0 1043 TIP3 OH2 OT -0.834000 15.9994 0 + 1653 WT0 1043 TIP3 H1 HT 0.417000 1.0080 0 + 1654 WT0 1043 TIP3 H2 HT 0.417000 1.0080 0 + 1655 WT0 1045 TIP3 OH2 OT -0.834000 15.9994 0 + 1656 WT0 1045 TIP3 H1 HT 0.417000 1.0080 0 + 1657 WT0 1045 TIP3 H2 HT 0.417000 1.0080 0 + 1658 WT0 1053 TIP3 OH2 OT -0.834000 15.9994 0 + 1659 WT0 1053 TIP3 H1 HT 0.417000 1.0080 0 + 1660 WT0 1053 TIP3 H2 HT 0.417000 1.0080 0 + 1661 WT0 1055 TIP3 OH2 OT -0.834000 15.9994 0 + 1662 WT0 1055 TIP3 H1 HT 0.417000 1.0080 0 + 1663 WT0 1055 TIP3 H2 HT 0.417000 1.0080 0 + 1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 + 1670 WT0 1058 TIP3 OH2 OT -0.834000 15.9994 0 + 1671 WT0 1058 TIP3 H1 HT 0.417000 1.0080 0 + 1672 WT0 1058 TIP3 H2 HT 0.417000 1.0080 0 + 1673 WT0 1059 TIP3 OH2 OT -0.834000 15.9994 0 + 1674 WT0 1059 TIP3 H1 HT 0.417000 1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 + 1678 WT0 1060 TIP3 H2 HT 0.417000 1.0080 0 + 1679 WT0 1061 TIP3 OH2 OT -0.834000 15.9994 0 + 1680 WT0 1061 TIP3 H1 HT 0.417000 1.0080 0 + 1681 WT0 1061 TIP3 H2 HT 0.417000 1.0080 0 + 1682 WT0 1062 TIP3 OH2 OT -0.834000 15.9994 0 + 1683 WT0 1062 TIP3 H1 HT 0.417000 1.0080 0 + 1684 WT0 1062 TIP3 H2 HT 0.417000 1.0080 0 + 1685 WT0 1063 TIP3 OH2 OT -0.834000 15.9994 0 + 1686 WT0 1063 TIP3 H1 HT 0.417000 1.0080 0 + 1687 WT0 1063 TIP3 H2 HT 0.417000 1.0080 0 + 1688 WT0 1064 TIP3 OH2 OT -0.834000 15.9994 0 + 1689 WT0 1064 TIP3 H1 HT 0.417000 1.0080 0 + 1690 WT0 1064 TIP3 H2 HT 0.417000 1.0080 0 + 1691 WT0 1065 TIP3 OH2 OT -0.834000 15.9994 0 + 1692 WT0 1065 TIP3 H1 HT 0.417000 1.0080 0 + 1693 WT0 1065 TIP3 H2 HT 0.417000 1.0080 0 + 1694 WT0 1066 TIP3 OH2 OT -0.834000 15.9994 0 + 1695 WT0 1066 TIP3 H1 HT 0.417000 1.0080 0 + 1696 WT0 1066 TIP3 H2 HT 0.417000 1.0080 0 + 1697 WT0 1069 TIP3 OH2 OT -0.834000 15.9994 0 + 1698 WT0 1069 TIP3 H1 HT 0.417000 1.0080 0 + 1699 WT0 1069 TIP3 H2 HT 0.417000 1.0080 0 + 1700 WT0 1076 TIP3 OH2 OT -0.834000 15.9994 0 + 1701 WT0 1076 TIP3 H1 HT 0.417000 1.0080 0 + 1702 WT0 1076 TIP3 H2 HT 0.417000 1.0080 0 + 1703 WT0 1077 TIP3 OH2 OT -0.834000 15.9994 0 + 1704 WT0 1077 TIP3 H1 HT 0.417000 1.0080 0 + 1705 WT0 1077 TIP3 H2 HT 0.417000 1.0080 0 + 1706 WT0 1078 TIP3 OH2 OT -0.834000 15.9994 0 + 1707 WT0 1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 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2610 WT0 1757 TIP3 H1 HT 0.417000 1.0080 0 + 2611 WT0 1757 TIP3 H2 HT 0.417000 1.0080 0 + 2612 WT0 1764 TIP3 OH2 OT -0.834000 15.9994 0 + 2613 WT0 1764 TIP3 H1 HT 0.417000 1.0080 0 + 2614 WT0 1764 TIP3 H2 HT 0.417000 1.0080 0 + 2615 WT0 1766 TIP3 OH2 OT -0.834000 15.9994 0 + 2616 WT0 1766 TIP3 H1 HT 0.417000 1.0080 0 + 2617 WT0 1766 TIP3 H2 HT 0.417000 1.0080 0 + 2618 WT0 1771 TIP3 OH2 OT -0.834000 15.9994 0 + 2619 WT0 1771 TIP3 H1 HT 0.417000 1.0080 0 + 2620 WT0 1771 TIP3 H2 HT 0.417000 1.0080 0 + 2621 WT0 1772 TIP3 OH2 OT -0.834000 15.9994 0 + 2622 WT0 1772 TIP3 H1 HT 0.417000 1.0080 0 + 2623 WT0 1772 TIP3 H2 HT 0.417000 1.0080 0 + 2624 WT0 1773 TIP3 OH2 OT -0.834000 15.9994 0 + 2625 WT0 1773 TIP3 H1 HT 0.417000 1.0080 0 + 2626 WT0 1773 TIP3 H2 HT 0.417000 1.0080 0 + 2627 WT0 1775 TIP3 OH2 OT -0.834000 15.9994 0 + 2628 WT0 1775 TIP3 H1 HT 0.417000 1.0080 0 + 2629 WT0 1775 TIP3 H2 HT 0.417000 1.0080 0 + 2630 WT0 1776 TIP3 OH2 OT -0.834000 15.9994 0 + 2631 WT0 1776 TIP3 H1 HT 0.417000 1.0080 0 + 2632 WT0 1776 TIP3 H2 HT 0.417000 1.0080 0 + 2633 WT0 1778 TIP3 OH2 OT -0.834000 15.9994 0 + 2634 WT0 1778 TIP3 H1 HT 0.417000 1.0080 0 + 2635 WT0 1778 TIP3 H2 HT 0.417000 1.0080 0 + 2636 WT0 1789 TIP3 OH2 OT -0.834000 15.9994 0 + 2637 WT0 1789 TIP3 H1 HT 0.417000 1.0080 0 + 2638 WT0 1789 TIP3 H2 HT 0.417000 1.0080 0 + 2639 WT0 1790 TIP3 OH2 OT -0.834000 15.9994 0 + 2640 WT0 1790 TIP3 H1 HT 0.417000 1.0080 0 + 2641 WT0 1790 TIP3 H2 HT 0.417000 1.0080 0 + 2642 WT0 1794 TIP3 OH2 OT -0.834000 15.9994 0 + 2643 WT0 1794 TIP3 H1 HT 0.417000 1.0080 0 + 2644 WT0 1794 TIP3 H2 HT 0.417000 1.0080 0 + 2645 WT0 1795 TIP3 OH2 OT -0.834000 15.9994 0 + 2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 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3608 WT0 2362 TIP3 OH2 OT -0.834000 15.9994 0 + 3609 WT0 2362 TIP3 H1 HT 0.417000 1.0080 0 + 3610 WT0 2362 TIP3 H2 HT 0.417000 1.0080 0 + 3611 WT0 2363 TIP3 OH2 OT -0.834000 15.9994 0 + 3612 WT0 2363 TIP3 H1 HT 0.417000 1.0080 0 + 3613 WT0 2363 TIP3 H2 HT 0.417000 1.0080 0 + 3614 WT0 2364 TIP3 OH2 OT -0.834000 15.9994 0 + 3615 WT0 2364 TIP3 H1 HT 0.417000 1.0080 0 + 3616 WT0 2364 TIP3 H2 HT 0.417000 1.0080 0 + 3617 WT0 2365 TIP3 OH2 OT -0.834000 15.9994 0 + 3618 WT0 2365 TIP3 H1 HT 0.417000 1.0080 0 + 3619 WT0 2365 TIP3 H2 HT 0.417000 1.0080 0 + 3620 WT0 2366 TIP3 OH2 OT -0.834000 15.9994 0 + 3621 WT0 2366 TIP3 H1 HT 0.417000 1.0080 0 + 3622 WT0 2366 TIP3 H2 HT 0.417000 1.0080 0 + 3623 WT0 2368 TIP3 OH2 OT -0.834000 15.9994 0 + 3624 WT0 2368 TIP3 H1 HT 0.417000 1.0080 0 + 3625 WT0 2368 TIP3 H2 HT 0.417000 1.0080 0 + 3626 WT0 2376 TIP3 OH2 OT -0.834000 15.9994 0 + 3627 WT0 2376 TIP3 H1 HT 0.417000 1.0080 0 + 3628 WT0 2376 TIP3 H2 HT 0.417000 1.0080 0 + 3629 WT0 2377 TIP3 OH2 OT 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2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT -0.834000 15.9994 0 + 3666 WT0 2403 TIP3 H1 HT 0.417000 1.0080 0 + 3667 WT0 2403 TIP3 H2 HT 0.417000 1.0080 0 + 3668 WT0 2404 TIP3 OH2 OT -0.834000 15.9994 0 + 3669 WT0 2404 TIP3 H1 HT 0.417000 1.0080 0 + 3670 WT0 2404 TIP3 H2 HT 0.417000 1.0080 0 + 3671 WT0 2405 TIP3 OH2 OT -0.834000 15.9994 0 + 3672 WT0 2405 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 + 3703 WT0 2421 TIP3 H2 HT 0.417000 1.0080 0 + 3704 WT0 2422 TIP3 OH2 OT -0.834000 15.9994 0 + 3705 WT0 2422 TIP3 H1 HT 0.417000 1.0080 0 + 3706 WT0 2422 TIP3 H2 HT 0.417000 1.0080 0 + 3707 WT0 2423 TIP3 OH2 OT -0.834000 15.9994 0 + 3708 WT0 2423 TIP3 H1 HT 0.417000 1.0080 0 + 3709 WT0 2423 TIP3 H2 HT 0.417000 1.0080 0 + 3710 WT0 2424 TIP3 OH2 OT -0.834000 15.9994 0 + 3711 WT0 2424 TIP3 H1 HT 0.417000 1.0080 0 + 3712 WT0 2424 TIP3 H2 HT 0.417000 1.0080 0 + 3713 WT0 2425 TIP3 OH2 OT -0.834000 15.9994 0 + 3714 WT0 2425 TIP3 H1 HT 0.417000 1.0080 0 + 3715 WT0 2425 TIP3 H2 HT 0.417000 1.0080 0 + 3716 WT0 2427 TIP3 OH2 OT -0.834000 15.9994 0 + 3717 WT0 2427 TIP3 H1 HT 0.417000 1.0080 0 + 3718 WT0 2427 TIP3 H2 HT 0.417000 1.0080 0 + 3719 WT0 2428 TIP3 OH2 OT -0.834000 15.9994 0 + 3720 WT0 2428 TIP3 H1 HT 0.417000 1.0080 0 + 3721 WT0 2428 TIP3 H2 HT 0.417000 1.0080 0 + 3722 WT0 2429 TIP3 OH2 OT -0.834000 15.9994 0 + 3723 WT0 2429 TIP3 H1 HT 0.417000 1.0080 0 + 3724 WT0 2429 TIP3 H2 HT 0.417000 1.0080 0 + 3725 WT0 2430 TIP3 OH2 OT -0.834000 15.9994 0 + 3726 WT0 2430 TIP3 H1 HT 0.417000 1.0080 0 + 3727 WT0 2430 TIP3 H2 HT 0.417000 1.0080 0 + 3728 WT0 2432 TIP3 OH2 OT -0.834000 15.9994 0 + 3729 WT0 2432 TIP3 H1 HT 0.417000 1.0080 0 + 3730 WT0 2432 TIP3 H2 HT 0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT 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2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT -0.834000 15.9994 0 + 3948 WT0 2610 TIP3 H1 HT 0.417000 1.0080 0 + 3949 WT0 2610 TIP3 H2 HT 0.417000 1.0080 0 + 3950 WT0 2613 TIP3 OH2 OT -0.834000 15.9994 0 + 3951 WT0 2613 TIP3 H1 HT 0.417000 1.0080 0 + 3952 WT0 2613 TIP3 H2 HT 0.417000 1.0080 0 + 3953 WT0 2616 TIP3 OH2 OT -0.834000 15.9994 0 + 3954 WT0 2616 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 + 3985 WT0 2650 TIP3 H2 HT 0.417000 1.0080 0 + 3986 WT0 2654 TIP3 OH2 OT -0.834000 15.9994 0 + 3987 WT0 2654 TIP3 H1 HT 0.417000 1.0080 0 + 3988 WT0 2654 TIP3 H2 HT 0.417000 1.0080 0 + 3989 WT0 2656 TIP3 OH2 OT -0.834000 15.9994 0 + 3990 WT0 2656 TIP3 H1 HT 0.417000 1.0080 0 + 3991 WT0 2656 TIP3 H2 HT 0.417000 1.0080 0 + 3992 WT0 2657 TIP3 OH2 OT -0.834000 15.9994 0 + 3993 WT0 2657 TIP3 H1 HT 0.417000 1.0080 0 + 3994 WT0 2657 TIP3 H2 HT 0.417000 1.0080 0 + 3995 WT0 2659 TIP3 OH2 OT -0.834000 15.9994 0 + 3996 WT0 2659 TIP3 H1 HT 0.417000 1.0080 0 + 3997 WT0 2659 TIP3 H2 HT 0.417000 1.0080 0 + 3998 WT0 2662 TIP3 OH2 OT -0.834000 15.9994 0 + 3999 WT0 2662 TIP3 H1 HT 0.417000 1.0080 0 + 4000 WT0 2662 TIP3 H2 HT 0.417000 1.0080 0 + 4001 WT0 2667 TIP3 OH2 OT -0.834000 15.9994 0 + 4002 WT0 2667 TIP3 H1 HT 0.417000 1.0080 0 + 4003 WT0 2667 TIP3 H2 HT 0.417000 1.0080 0 + 4004 WT0 2669 TIP3 OH2 OT -0.834000 15.9994 0 + 4005 WT0 2669 TIP3 H1 HT 0.417000 1.0080 0 + 4006 WT0 2669 TIP3 H2 HT 0.417000 1.0080 0 + 4007 WT0 2670 TIP3 OH2 OT -0.834000 15.9994 0 + 4008 WT0 2670 TIP3 H1 HT 0.417000 1.0080 0 + 4009 WT0 2670 TIP3 H2 HT 0.417000 1.0080 0 + 4010 WT0 2673 TIP3 OH2 OT -0.834000 15.9994 0 + 4011 WT0 2673 TIP3 H1 HT 0.417000 1.0080 0 + 4012 WT0 2673 TIP3 H2 HT 0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT 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2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT -0.834000 15.9994 0 + 4224 WT0 2798 TIP3 H1 HT 0.417000 1.0080 0 + 4225 WT0 2798 TIP3 H2 HT 0.417000 1.0080 0 + 4226 WT0 2801 TIP3 OH2 OT -0.834000 15.9994 0 + 4227 WT0 2801 TIP3 H1 HT 0.417000 1.0080 0 + 4228 WT0 2801 TIP3 H2 HT 0.417000 1.0080 0 + 4229 WT0 2802 TIP3 OH2 OT -0.834000 15.9994 0 + 4230 WT0 2802 TIP3 H1 HT 0.417000 1.0080 0 + 4231 WT0 2802 TIP3 H2 HT 0.417000 1.0080 0 + 4232 WT0 2803 TIP3 OH2 OT -0.834000 15.9994 0 + 4233 WT0 2803 TIP3 H1 HT 0.417000 1.0080 0 + 4234 WT0 2803 TIP3 H2 HT 0.417000 1.0080 0 + 4235 WT0 2805 TIP3 OH2 OT -0.834000 15.9994 0 + 4236 WT0 2805 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 + 4267 WT0 2824 TIP3 H2 HT 0.417000 1.0080 0 + 4268 WT0 2826 TIP3 OH2 OT -0.834000 15.9994 0 + 4269 WT0 2826 TIP3 H1 HT 0.417000 1.0080 0 + 4270 WT0 2826 TIP3 H2 HT 0.417000 1.0080 0 + 4271 WT0 2829 TIP3 OH2 OT -0.834000 15.9994 0 + 4272 WT0 2829 TIP3 H1 HT 0.417000 1.0080 0 + 4273 WT0 2829 TIP3 H2 HT 0.417000 1.0080 0 + 4274 WT0 2830 TIP3 OH2 OT -0.834000 15.9994 0 + 4275 WT0 2830 TIP3 H1 HT 0.417000 1.0080 0 + 4276 WT0 2830 TIP3 H2 HT 0.417000 1.0080 0 + 4277 WT0 2831 TIP3 OH2 OT -0.834000 15.9994 0 + 4278 WT0 2831 TIP3 H1 HT 0.417000 1.0080 0 + 4279 WT0 2831 TIP3 H2 HT 0.417000 1.0080 0 + 4280 WT0 2832 TIP3 OH2 OT -0.834000 15.9994 0 + 4281 WT0 2832 TIP3 H1 HT 0.417000 1.0080 0 + 4282 WT0 2832 TIP3 H2 HT 0.417000 1.0080 0 + 4283 WT0 2834 TIP3 OH2 OT -0.834000 15.9994 0 + 4284 WT0 2834 TIP3 H1 HT 0.417000 1.0080 0 + 4285 WT0 2834 TIP3 H2 HT 0.417000 1.0080 0 + 4286 WT0 2838 TIP3 OH2 OT -0.834000 15.9994 0 + 4287 WT0 2838 TIP3 H1 HT 0.417000 1.0080 0 + 4288 WT0 2838 TIP3 H2 HT 0.417000 1.0080 0 + 4289 WT0 2840 TIP3 OH2 OT -0.834000 15.9994 0 + 4290 WT0 2840 TIP3 H1 HT 0.417000 1.0080 0 + 4291 WT0 2840 TIP3 H2 HT 0.417000 1.0080 0 + 4292 WT0 2842 TIP3 OH2 OT -0.834000 15.9994 0 + 4293 WT0 2842 TIP3 H1 HT 0.417000 1.0080 0 + 4294 WT0 2842 TIP3 H2 HT 0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 TIP3 OH2 OT -0.834000 15.9994 0 + 4311 WT0 2850 TIP3 H1 HT 0.417000 1.0080 0 + 4312 WT0 2850 TIP3 H2 HT 0.417000 1.0080 0 + 4313 WT0 2852 TIP3 OH2 OT -0.834000 15.9994 0 + 4314 WT0 2852 TIP3 H1 HT 0.417000 1.0080 0 + 4315 WT0 2852 TIP3 H2 HT 0.417000 1.0080 0 + 4316 WT0 2857 TIP3 OH2 OT -0.834000 15.9994 0 + 4317 WT0 2857 TIP3 H1 HT 0.417000 1.0080 0 + 4318 WT0 2857 TIP3 H2 HT 0.417000 1.0080 0 + 4319 WT0 2858 TIP3 OH2 OT -0.834000 15.9994 0 + 4320 WT0 2858 TIP3 H1 HT 0.417000 1.0080 0 + 4321 WT0 2858 TIP3 H2 HT 0.417000 1.0080 0 + 4322 WT0 2859 TIP3 OH2 OT -0.834000 15.9994 0 + 4323 WT0 2859 TIP3 H1 HT 0.417000 1.0080 0 + 4324 WT0 2859 TIP3 H2 HT 0.417000 1.0080 0 + 4325 WT0 2860 TIP3 OH2 OT -0.834000 15.9994 0 + 4326 WT0 2860 TIP3 H1 HT 0.417000 1.0080 0 + 4327 WT0 2860 TIP3 H2 HT 0.417000 1.0080 0 + 4328 WT0 2861 TIP3 OH2 OT -0.834000 15.9994 0 + 4329 WT0 2861 TIP3 H1 HT 0.417000 1.0080 0 + 4330 WT0 2861 TIP3 H2 HT 0.417000 1.0080 0 + 4331 WT0 2863 TIP3 OH2 OT -0.834000 15.9994 0 + 4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 1.0080 0 + 4354 WT0 2878 TIP3 H2 HT 0.417000 1.0080 0 + 4355 WT0 2880 TIP3 OH2 OT -0.834000 15.9994 0 + 4356 WT0 2880 TIP3 H1 HT 0.417000 1.0080 0 + 4357 WT0 2880 TIP3 H2 HT 0.417000 1.0080 0 + 4358 WT0 2882 TIP3 OH2 OT -0.834000 15.9994 0 + 4359 WT0 2882 TIP3 H1 HT 0.417000 1.0080 0 + 4360 WT0 2882 TIP3 H2 HT 0.417000 1.0080 0 + 4361 WT0 2883 TIP3 OH2 OT -0.834000 15.9994 0 + 4362 WT0 2883 TIP3 H1 HT 0.417000 1.0080 0 + 4363 WT0 2883 TIP3 H2 HT 0.417000 1.0080 0 + 4364 WT0 2884 TIP3 OH2 OT -0.834000 15.9994 0 + 4365 WT0 2884 TIP3 H1 HT 0.417000 1.0080 0 + 4366 WT0 2884 TIP3 H2 HT 0.417000 1.0080 0 + 4367 WT0 2886 TIP3 OH2 OT -0.834000 15.9994 0 + 4368 WT0 2886 TIP3 H1 HT 0.417000 1.0080 0 + 4369 WT0 2886 TIP3 H2 HT 0.417000 1.0080 0 + 4370 WT0 2888 TIP3 OH2 OT -0.834000 15.9994 0 + 4371 WT0 2888 TIP3 H1 HT 0.417000 1.0080 0 + 4372 WT0 2888 TIP3 H2 HT 0.417000 1.0080 0 + 4373 WT0 2889 TIP3 OH2 OT -0.834000 15.9994 0 + 4374 WT0 2889 TIP3 H1 HT 0.417000 1.0080 0 + 4375 WT0 2889 TIP3 H2 HT 0.417000 1.0080 0 + 4376 WT0 2890 TIP3 OH2 OT -0.834000 15.9994 0 + 4377 WT0 2890 TIP3 H1 HT 0.417000 1.0080 0 + 4378 WT0 2890 TIP3 H2 HT 0.417000 1.0080 0 + 4379 WT0 2891 TIP3 OH2 OT -0.834000 15.9994 0 + 4380 WT0 2891 TIP3 H1 HT 0.417000 1.0080 0 + 4381 WT0 2891 TIP3 H2 HT 0.417000 1.0080 0 + 4382 WT0 2893 TIP3 OH2 OT -0.834000 15.9994 0 + 4383 WT0 2893 TIP3 H1 HT 0.417000 1.0080 0 + 4384 WT0 2893 TIP3 H2 HT 0.417000 1.0080 0 + 4385 WT0 2894 TIP3 OH2 OT -0.834000 15.9994 0 + 4386 WT0 2894 TIP3 H1 HT 0.417000 1.0080 0 + 4387 WT0 2894 TIP3 H2 HT 0.417000 1.0080 0 + 4388 WT0 2897 TIP3 OH2 OT -0.834000 15.9994 0 + 4389 WT0 2897 TIP3 H1 HT 0.417000 1.0080 0 + 4390 WT0 2897 TIP3 H2 HT 0.417000 1.0080 0 + 4391 WT0 2899 TIP3 OH2 OT -0.834000 15.9994 0 + 4392 WT0 2899 TIP3 H1 HT 0.417000 1.0080 0 + 4393 WT0 2899 TIP3 H2 HT 0.417000 1.0080 0 + 4394 WT0 2900 TIP3 OH2 OT -0.834000 15.9994 0 + 4395 WT0 2900 TIP3 H1 HT 0.417000 1.0080 0 + 4396 WT0 2900 TIP3 H2 HT 0.417000 1.0080 0 + 4397 WT0 2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 0 + 4419 WT0 2911 TIP3 H1 HT 0.417000 1.0080 0 + 4420 WT0 2911 TIP3 H2 HT 0.417000 1.0080 0 + 4421 WT0 2913 TIP3 OH2 OT -0.834000 15.9994 0 + 4422 WT0 2913 TIP3 H1 HT 0.417000 1.0080 0 + 4423 WT0 2913 TIP3 H2 HT 0.417000 1.0080 0 + 4424 WT0 2918 TIP3 OH2 OT -0.834000 15.9994 0 + 4425 WT0 2918 TIP3 H1 HT 0.417000 1.0080 0 + 4426 WT0 2918 TIP3 H2 HT 0.417000 1.0080 0 + 4427 WT0 2919 TIP3 OH2 OT -0.834000 15.9994 0 + 4428 WT0 2919 TIP3 H1 HT 0.417000 1.0080 0 + 4429 WT0 2919 TIP3 H2 HT 0.417000 1.0080 0 + 4430 WT0 2922 TIP3 OH2 OT -0.834000 15.9994 0 + 4431 WT0 2922 TIP3 H1 HT 0.417000 1.0080 0 + 4432 WT0 2922 TIP3 H2 HT 0.417000 1.0080 0 + 4433 WT0 2923 TIP3 OH2 OT -0.834000 15.9994 0 + 4434 WT0 2923 TIP3 H1 HT 0.417000 1.0080 0 + 4435 WT0 2923 TIP3 H2 HT 0.417000 1.0080 0 + 4436 WT0 2925 TIP3 OH2 OT -0.834000 15.9994 0 + 4437 WT0 2925 TIP3 H1 HT 0.417000 1.0080 0 + 4438 WT0 2925 TIP3 H2 HT 0.417000 1.0080 0 + 4439 WT0 2927 TIP3 OH2 OT -0.834000 15.9994 0 + 4440 WT0 2927 TIP3 H1 HT 0.417000 1.0080 0 + 4441 WT0 2927 TIP3 H2 HT 0.417000 1.0080 0 + 4442 WT0 2928 TIP3 OH2 OT -0.834000 15.9994 0 + 4443 WT0 2928 TIP3 H1 HT 0.417000 1.0080 0 + 4444 WT0 2928 TIP3 H2 HT 0.417000 1.0080 0 + 4445 WT0 2929 TIP3 OH2 OT -0.834000 15.9994 0 + 4446 WT0 2929 TIP3 H1 HT 0.417000 1.0080 0 + 4447 WT0 2929 TIP3 H2 HT 0.417000 1.0080 0 + 4448 WT0 2930 TIP3 OH2 OT -0.834000 15.9994 0 + 4449 WT0 2930 TIP3 H1 HT 0.417000 1.0080 0 + 4450 WT0 2930 TIP3 H2 HT 0.417000 1.0080 0 + 4451 WT0 2932 TIP3 OH2 OT -0.834000 15.9994 0 + 4452 WT0 2932 TIP3 H1 HT 0.417000 1.0080 0 + 4453 WT0 2932 TIP3 H2 HT 0.417000 1.0080 0 + 4454 WT0 2933 TIP3 OH2 OT -0.834000 15.9994 0 + 4455 WT0 2933 TIP3 H1 HT 0.417000 1.0080 0 + 4456 WT0 2933 TIP3 H2 HT 0.417000 1.0080 0 + 4457 WT0 2934 TIP3 OH2 OT -0.834000 15.9994 0 + 4458 WT0 2934 TIP3 H1 HT 0.417000 1.0080 0 + 4459 WT0 2934 TIP3 H2 HT 0.417000 1.0080 0 + 4460 WT0 2936 TIP3 OH2 OT -0.834000 15.9994 0 + 4461 WT0 2936 TIP3 H1 HT 0.417000 1.0080 0 + 4462 WT0 2936 TIP3 H2 HT 0.417000 1.0080 0 + 4463 WT0 2941 TIP3 OH2 OT -0.834000 15.9994 0 + 4464 WT0 2941 TIP3 H1 HT 0.417000 1.0080 0 + 4465 WT0 2941 TIP3 H2 HT 0.417000 1.0080 0 + 4466 WT0 2943 TIP3 OH2 OT -0.834000 15.9994 0 + 4467 WT0 2943 TIP3 H1 HT 0.417000 1.0080 0 + 4468 WT0 2943 TIP3 H2 HT 0.417000 1.0080 0 + 4469 WT0 2944 TIP3 OH2 OT -0.834000 15.9994 0 + 4470 WT0 2944 TIP3 H1 HT 0.417000 1.0080 0 + 4471 WT0 2944 TIP3 H2 HT 0.417000 1.0080 0 + 4472 WT0 2946 TIP3 OH2 OT -0.834000 15.9994 0 + 4473 WT0 2946 TIP3 H1 HT 0.417000 1.0080 0 + 4474 WT0 2946 TIP3 H2 HT 0.417000 1.0080 0 + 4475 WT0 2951 TIP3 OH2 OT 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2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT -0.834000 15.9994 0 + 4506 WT0 2967 TIP3 H1 HT 0.417000 1.0080 0 + 4507 WT0 2967 TIP3 H2 HT 0.417000 1.0080 0 + 4508 WT0 2969 TIP3 OH2 OT -0.834000 15.9994 0 + 4509 WT0 2969 TIP3 H1 HT 0.417000 1.0080 0 + 4510 WT0 2969 TIP3 H2 HT 0.417000 1.0080 0 + 4511 WT0 2972 TIP3 OH2 OT -0.834000 15.9994 0 + 4512 WT0 2972 TIP3 H1 HT 0.417000 1.0080 0 + 4513 WT0 2972 TIP3 H2 HT 0.417000 1.0080 0 + 4514 WT0 2975 TIP3 OH2 OT -0.834000 15.9994 0 + 4515 WT0 2975 TIP3 H1 HT 0.417000 1.0080 0 + 4516 WT0 2975 TIP3 H2 HT 0.417000 1.0080 0 + 4517 WT0 2979 TIP3 OH2 OT -0.834000 15.9994 0 + 4518 WT0 2979 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4541 WT0 2994 TIP3 OH2 OT -0.834000 15.9994 0 + 4542 WT0 2994 TIP3 H1 HT 0.417000 1.0080 0 + 4543 WT0 2994 TIP3 H2 HT 0.417000 1.0080 0 + 4544 WT0 2996 TIP3 OH2 OT -0.834000 15.9994 0 + 4545 WT0 2996 TIP3 H1 HT 0.417000 1.0080 0 + 4546 WT0 2996 TIP3 H2 HT 0.417000 1.0080 0 + 4547 WT0 3006 TIP3 OH2 OT -0.834000 15.9994 0 + 4548 WT0 3006 TIP3 H1 HT 0.417000 1.0080 0 + 4549 WT0 3006 TIP3 H2 HT 0.417000 1.0080 0 + 4550 WT0 3010 TIP3 OH2 OT -0.834000 15.9994 0 + 4551 WT0 3010 TIP3 H1 HT 0.417000 1.0080 0 + 4552 WT0 3010 TIP3 H2 HT 0.417000 1.0080 0 + 4553 WT0 3011 TIP3 OH2 OT -0.834000 15.9994 0 + 4554 WT0 3011 TIP3 H1 HT 0.417000 1.0080 0 + 4555 WT0 3011 TIP3 H2 HT 0.417000 1.0080 0 + 4556 WT0 3012 TIP3 OH2 OT -0.834000 15.9994 0 + 4557 WT0 3012 TIP3 H1 HT 0.417000 1.0080 0 + 4558 WT0 3012 TIP3 H2 HT 0.417000 1.0080 0 + 4559 WT0 3013 TIP3 OH2 OT -0.834000 15.9994 0 + 4560 WT0 3013 TIP3 H1 HT 0.417000 1.0080 0 + 4561 WT0 3013 TIP3 H2 HT 0.417000 1.0080 0 + 4562 WT0 3016 TIP3 OH2 OT -0.834000 15.9994 0 + 4563 WT0 3016 TIP3 H1 HT 0.417000 1.0080 0 + 4564 WT0 3016 TIP3 H2 HT 0.417000 1.0080 0 + 4565 WT0 3017 TIP3 OH2 OT -0.834000 15.9994 0 + 4566 WT0 3017 TIP3 H1 HT 0.417000 1.0080 0 + 4567 WT0 3017 TIP3 H2 HT 0.417000 1.0080 0 + 4568 WT0 3022 TIP3 OH2 OT -0.834000 15.9994 0 + 4569 WT0 3022 TIP3 H1 HT 0.417000 1.0080 0 + 4570 WT0 3022 TIP3 H2 HT 0.417000 1.0080 0 + 4571 WT0 3027 TIP3 OH2 OT -0.834000 15.9994 0 + 4572 WT0 3027 TIP3 H1 HT 0.417000 1.0080 0 + 4573 WT0 3027 TIP3 H2 HT 0.417000 1.0080 0 + 4574 WT0 3029 TIP3 OH2 OT -0.834000 15.9994 0 + 4575 WT0 3029 TIP3 H1 HT 0.417000 1.0080 0 + 4576 WT0 3029 TIP3 H2 HT 0.417000 1.0080 0 + 4577 WT0 3030 TIP3 OH2 OT -0.834000 15.9994 0 + 4578 WT0 3030 TIP3 H1 HT 0.417000 1.0080 0 + 4579 WT0 3030 TIP3 H2 HT 0.417000 1.0080 0 + 4580 WT0 3031 TIP3 OH2 OT -0.834000 15.9994 0 + 4581 WT0 3031 TIP3 H1 HT 0.417000 1.0080 0 + 4582 WT0 3031 TIP3 H2 HT 0.417000 1.0080 0 + 4583 WT0 3033 TIP3 OH2 OT -0.834000 15.9994 0 + 4584 WT0 3033 TIP3 H1 HT 0.417000 1.0080 0 + 4585 WT0 3033 TIP3 H2 HT 0.417000 1.0080 0 + 4586 WT0 3037 TIP3 OH2 OT -0.834000 15.9994 0 + 4587 WT0 3037 TIP3 H1 HT 0.417000 1.0080 0 + 4588 WT0 3037 TIP3 H2 HT 0.417000 1.0080 0 + 4589 WT0 3046 TIP3 OH2 OT -0.834000 15.9994 0 + 4590 WT0 3046 TIP3 H1 HT 0.417000 1.0080 0 + 4591 WT0 3046 TIP3 H2 HT 0.417000 1.0080 0 + 4592 WT0 3048 TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT 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3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT -0.834000 15.9994 0 + 4794 WT0 3192 TIP3 H1 HT 0.417000 1.0080 0 + 4795 WT0 3192 TIP3 H2 HT 0.417000 1.0080 0 + 4796 WT0 3193 TIP3 OH2 OT -0.834000 15.9994 0 + 4797 WT0 3193 TIP3 H1 HT 0.417000 1.0080 0 + 4798 WT0 3193 TIP3 H2 HT 0.417000 1.0080 0 + 4799 WT0 3196 TIP3 OH2 OT -0.834000 15.9994 0 + 4800 WT0 3196 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 + 4831 WT0 3221 TIP3 H2 HT 0.417000 1.0080 0 + 4832 WT0 3223 TIP3 OH2 OT -0.834000 15.9994 0 + 4833 WT0 3223 TIP3 H1 HT 0.417000 1.0080 0 + 4834 WT0 3223 TIP3 H2 HT 0.417000 1.0080 0 + 4835 WT0 3224 TIP3 OH2 OT -0.834000 15.9994 0 + 4836 WT0 3224 TIP3 H1 HT 0.417000 1.0080 0 + 4837 WT0 3224 TIP3 H2 HT 0.417000 1.0080 0 + 4838 WT0 3225 TIP3 OH2 OT -0.834000 15.9994 0 + 4839 WT0 3225 TIP3 H1 HT 0.417000 1.0080 0 + 4840 WT0 3225 TIP3 H2 HT 0.417000 1.0080 0 + 4841 WT0 3226 TIP3 OH2 OT -0.834000 15.9994 0 + 4842 WT0 3226 TIP3 H1 HT 0.417000 1.0080 0 + 4843 WT0 3226 TIP3 H2 HT 0.417000 1.0080 0 + 4844 WT0 3227 TIP3 OH2 OT -0.834000 15.9994 0 + 4845 WT0 3227 TIP3 H1 HT 0.417000 1.0080 0 + 4846 WT0 3227 TIP3 H2 HT 0.417000 1.0080 0 + 4847 WT0 3228 TIP3 OH2 OT -0.834000 15.9994 0 + 4848 WT0 3228 TIP3 H1 HT 0.417000 1.0080 0 + 4849 WT0 3228 TIP3 H2 HT 0.417000 1.0080 0 + 4850 WT0 3233 TIP3 OH2 OT -0.834000 15.9994 0 + 4851 WT0 3233 TIP3 H1 HT 0.417000 1.0080 0 + 4852 WT0 3233 TIP3 H2 HT 0.417000 1.0080 0 + 4853 WT0 3234 TIP3 OH2 OT -0.834000 15.9994 0 + 4854 WT0 3234 TIP3 H1 HT 0.417000 1.0080 0 + 4855 WT0 3234 TIP3 H2 HT 0.417000 1.0080 0 + 4856 WT0 3236 TIP3 OH2 OT -0.834000 15.9994 0 + 4857 WT0 3236 TIP3 H1 HT 0.417000 1.0080 0 + 4858 WT0 3236 TIP3 H2 HT 0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 + 5113 WT0 3390 TIP3 H2 HT 0.417000 1.0080 0 + 5114 WT0 3392 TIP3 OH2 OT -0.834000 15.9994 0 + 5115 WT0 3392 TIP3 H1 HT 0.417000 1.0080 0 + 5116 WT0 3392 TIP3 H2 HT 0.417000 1.0080 0 + 5117 WT0 3393 TIP3 OH2 OT -0.834000 15.9994 0 + 5118 WT0 3393 TIP3 H1 HT 0.417000 1.0080 0 + 5119 WT0 3393 TIP3 H2 HT 0.417000 1.0080 0 + 5120 WT0 3396 TIP3 OH2 OT -0.834000 15.9994 0 + 5121 WT0 3396 TIP3 H1 HT 0.417000 1.0080 0 + 5122 WT0 3396 TIP3 H2 HT 0.417000 1.0080 0 + 5123 WT0 3397 TIP3 OH2 OT -0.834000 15.9994 0 + 5124 WT0 3397 TIP3 H1 HT 0.417000 1.0080 0 + 5125 WT0 3397 TIP3 H2 HT 0.417000 1.0080 0 + 5126 WT0 3401 TIP3 OH2 OT -0.834000 15.9994 0 + 5127 WT0 3401 TIP3 H1 HT 0.417000 1.0080 0 + 5128 WT0 3401 TIP3 H2 HT 0.417000 1.0080 0 + 5129 WT0 3402 TIP3 OH2 OT -0.834000 15.9994 0 + 5130 WT0 3402 TIP3 H1 HT 0.417000 1.0080 0 + 5131 WT0 3402 TIP3 H2 HT 0.417000 1.0080 0 + 5132 WT0 3404 TIP3 OH2 OT -0.834000 15.9994 0 + 5133 WT0 3404 TIP3 H1 HT 0.417000 1.0080 0 + 5134 WT0 3404 TIP3 H2 HT 0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 + 5416 WT0 3628 TIP3 H2 HT 0.417000 1.0080 0 + 5417 WT0 3629 TIP3 OH2 OT -0.834000 15.9994 0 + 5418 WT0 3629 TIP3 H1 HT 0.417000 1.0080 0 + 5419 WT0 3629 TIP3 H2 HT 0.417000 1.0080 0 + 5420 WT0 3633 TIP3 OH2 OT -0.834000 15.9994 0 + 5421 WT0 3633 TIP3 H1 HT 0.417000 1.0080 0 + 5422 WT0 3633 TIP3 H2 HT 0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT 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3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT -0.834000 15.9994 0 + 5922 WT0 3997 TIP3 H1 HT 0.417000 1.0080 0 + 5923 WT0 3997 TIP3 H2 HT 0.417000 1.0080 0 + 5924 WT0 3998 TIP3 OH2 OT -0.834000 15.9994 0 + 5925 WT0 3998 TIP3 H1 HT 0.417000 1.0080 0 + 5926 WT0 3998 TIP3 H2 HT 0.417000 1.0080 0 + 5927 WT0 3999 TIP3 OH2 OT -0.834000 15.9994 0 + 5928 WT0 3999 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5951 WT0 4009 TIP3 OH2 OT -0.834000 15.9994 0 + 5952 WT0 4009 TIP3 H1 HT 0.417000 1.0080 0 + 5953 WT0 4009 TIP3 H2 HT 0.417000 1.0080 0 + 5954 WT0 4010 TIP3 OH2 OT -0.834000 15.9994 0 + 5955 WT0 4010 TIP3 H1 HT 0.417000 1.0080 0 + 5956 WT0 4010 TIP3 H2 HT 0.417000 1.0080 0 + 5957 WT0 4012 TIP3 OH2 OT -0.834000 15.9994 0 + 5958 WT0 4012 TIP3 H1 HT 0.417000 1.0080 0 + 5959 WT0 4012 TIP3 H2 HT 0.417000 1.0080 0 + 5960 WT0 4014 TIP3 OH2 OT -0.834000 15.9994 0 + 5961 WT0 4014 TIP3 H1 HT 0.417000 1.0080 0 + 5962 WT0 4014 TIP3 H2 HT 0.417000 1.0080 0 + 5963 WT0 4015 TIP3 OH2 OT -0.834000 15.9994 0 + 5964 WT0 4015 TIP3 H1 HT 0.417000 1.0080 0 + 5965 WT0 4015 TIP3 H2 HT 0.417000 1.0080 0 + 5966 WT0 4016 TIP3 OH2 OT -0.834000 15.9994 0 + 5967 WT0 4016 TIP3 H1 HT 0.417000 1.0080 0 + 5968 WT0 4016 TIP3 H2 HT 0.417000 1.0080 0 + 5969 WT0 4017 TIP3 OH2 OT -0.834000 15.9994 0 + 5970 WT0 4017 TIP3 H1 HT 0.417000 1.0080 0 + 5971 WT0 4017 TIP3 H2 HT 0.417000 1.0080 0 + 5972 WT0 4018 TIP3 OH2 OT -0.834000 15.9994 0 + 5973 WT0 4018 TIP3 H1 HT 0.417000 1.0080 0 + 5974 WT0 4018 TIP3 H2 HT 0.417000 1.0080 0 + 5975 WT0 4019 TIP3 OH2 OT -0.834000 15.9994 0 + 5976 WT0 4019 TIP3 H1 HT 0.417000 1.0080 0 + 5977 WT0 4019 TIP3 H2 HT 0.417000 1.0080 0 + 5978 WT0 4021 TIP3 OH2 OT -0.834000 15.9994 0 + 5979 WT0 4021 TIP3 H1 HT 0.417000 1.0080 0 + 5980 WT0 4021 TIP3 H2 HT 0.417000 1.0080 0 + 5981 WT0 4022 TIP3 OH2 OT -0.834000 15.9994 0 + 5982 WT0 4022 TIP3 H1 HT 0.417000 1.0080 0 + 5983 WT0 4022 TIP3 H2 HT 0.417000 1.0080 0 + 5984 WT0 4026 TIP3 OH2 OT -0.834000 15.9994 0 + 5985 WT0 4026 TIP3 H1 HT 0.417000 1.0080 0 + 5986 WT0 4026 TIP3 H2 HT 0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 1.0080 0 + 5995 WT0 4035 TIP3 H2 HT 0.417000 1.0080 0 + 5996 WT0 4036 TIP3 OH2 OT -0.834000 15.9994 0 + 5997 WT0 4036 TIP3 H1 HT 0.417000 1.0080 0 + 5998 WT0 4036 TIP3 H2 HT 0.417000 1.0080 0 + 5999 WT0 4037 TIP3 OH2 OT -0.834000 15.9994 0 + 6000 WT0 4037 TIP3 H1 HT 0.417000 1.0080 0 + 6001 WT0 4037 TIP3 H2 HT 0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 1.0080 0 + 6046 WT0 4063 TIP3 H2 HT 0.417000 1.0080 0 + 6047 WT0 4064 TIP3 OH2 OT -0.834000 15.9994 0 + 6048 WT0 4064 TIP3 H1 HT 0.417000 1.0080 0 + 6049 WT0 4064 TIP3 H2 HT 0.417000 1.0080 0 + 6050 WT0 4065 TIP3 OH2 OT -0.834000 15.9994 0 + 6051 WT0 4065 TIP3 H1 HT 0.417000 1.0080 0 + 6052 WT0 4065 TIP3 H2 HT 0.417000 1.0080 0 + 6053 WT0 4067 TIP3 OH2 OT -0.834000 15.9994 0 + 6054 WT0 4067 TIP3 H1 HT 0.417000 1.0080 0 + 6055 WT0 4067 TIP3 H2 HT 0.417000 1.0080 0 + 6056 WT0 4068 TIP3 OH2 OT -0.834000 15.9994 0 + 6057 WT0 4068 TIP3 H1 HT 0.417000 1.0080 0 + 6058 WT0 4068 TIP3 H2 HT 0.417000 1.0080 0 + 6059 WT0 4072 TIP3 OH2 OT -0.834000 15.9994 0 + 6060 WT0 4072 TIP3 H1 HT 0.417000 1.0080 0 + 6061 WT0 4072 TIP3 H2 HT 0.417000 1.0080 0 + 6062 WT0 4074 TIP3 OH2 OT -0.834000 15.9994 0 + 6063 WT0 4074 TIP3 H1 HT 0.417000 1.0080 0 + 6064 WT0 4074 TIP3 H2 HT 0.417000 1.0080 0 + 6065 WT0 4076 TIP3 OH2 OT -0.834000 15.9994 0 + 6066 WT0 4076 TIP3 H1 HT 0.417000 1.0080 0 + 6067 WT0 4076 TIP3 H2 HT 0.417000 1.0080 0 + 6068 WT0 4077 TIP3 OH2 OT -0.834000 15.9994 0 + 6069 WT0 4077 TIP3 H1 HT 0.417000 1.0080 0 + 6070 WT0 4077 TIP3 H2 HT 0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 0 + 6111 WT0 4099 TIP3 H1 HT 0.417000 1.0080 0 + 6112 WT0 4099 TIP3 H2 HT 0.417000 1.0080 0 + 6113 WT0 4101 TIP3 OH2 OT -0.834000 15.9994 0 + 6114 WT0 4101 TIP3 H1 HT 0.417000 1.0080 0 + 6115 WT0 4101 TIP3 H2 HT 0.417000 1.0080 0 + 6116 WT0 4103 TIP3 OH2 OT -0.834000 15.9994 0 + 6117 WT0 4103 TIP3 H1 HT 0.417000 1.0080 0 + 6118 WT0 4103 TIP3 H2 HT 0.417000 1.0080 0 + 6119 WT0 4105 TIP3 OH2 OT -0.834000 15.9994 0 + 6120 WT0 4105 TIP3 H1 HT 0.417000 1.0080 0 + 6121 WT0 4105 TIP3 H2 HT 0.417000 1.0080 0 + 6122 WT0 4106 TIP3 OH2 OT -0.834000 15.9994 0 + 6123 WT0 4106 TIP3 H1 HT 0.417000 1.0080 0 + 6124 WT0 4106 TIP3 H2 HT 0.417000 1.0080 0 + 6125 WT0 4107 TIP3 OH2 OT -0.834000 15.9994 0 + 6126 WT0 4107 TIP3 H1 HT 0.417000 1.0080 0 + 6127 WT0 4107 TIP3 H2 HT 0.417000 1.0080 0 + 6128 WT0 4108 TIP3 OH2 OT -0.834000 15.9994 0 + 6129 WT0 4108 TIP3 H1 HT 0.417000 1.0080 0 + 6130 WT0 4108 TIP3 H2 HT 0.417000 1.0080 0 + 6131 WT0 4109 TIP3 OH2 OT -0.834000 15.9994 0 + 6132 WT0 4109 TIP3 H1 HT 0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT 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6276 WT0 4200 TIP3 H1 HT 0.417000 1.0080 0 + 6277 WT0 4200 TIP3 H2 HT 0.417000 1.0080 0 + 6278 WT0 4201 TIP3 OH2 OT -0.834000 15.9994 0 + 6279 WT0 4201 TIP3 H1 HT 0.417000 1.0080 0 + 6280 WT0 4201 TIP3 H2 HT 0.417000 1.0080 0 + 6281 WT0 4202 TIP3 OH2 OT -0.834000 15.9994 0 + 6282 WT0 4202 TIP3 H1 HT 0.417000 1.0080 0 + 6283 WT0 4202 TIP3 H2 HT 0.417000 1.0080 0 + 6284 WT0 4205 TIP3 OH2 OT -0.834000 15.9994 0 + 6285 WT0 4205 TIP3 H1 HT 0.417000 1.0080 0 + 6286 WT0 4205 TIP3 H2 HT 0.417000 1.0080 0 + 6287 WT0 4206 TIP3 OH2 OT -0.834000 15.9994 0 + 6288 WT0 4206 TIP3 H1 HT 0.417000 1.0080 0 + 6289 WT0 4206 TIP3 H2 HT 0.417000 1.0080 0 + 6290 WT0 4207 TIP3 OH2 OT -0.834000 15.9994 0 + 6291 WT0 4207 TIP3 H1 HT 0.417000 1.0080 0 + 6292 WT0 4207 TIP3 H2 HT 0.417000 1.0080 0 + 6293 WT0 4208 TIP3 OH2 OT -0.834000 15.9994 0 + 6294 WT0 4208 TIP3 H1 HT 0.417000 1.0080 0 + 6295 WT0 4208 TIP3 H2 HT 0.417000 1.0080 0 + 6296 WT0 4209 TIP3 OH2 OT -0.834000 15.9994 0 + 6297 WT0 4209 TIP3 H1 HT 0.417000 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4230 TIP3 OH2 OT -0.834000 15.9994 0 + 6342 WT0 4230 TIP3 H1 HT 0.417000 1.0080 0 + 6343 WT0 4230 TIP3 H2 HT 0.417000 1.0080 0 + 6344 WT0 4232 TIP3 OH2 OT -0.834000 15.9994 0 + 6345 WT0 4232 TIP3 H1 HT 0.417000 1.0080 0 + 6346 WT0 4232 TIP3 H2 HT 0.417000 1.0080 0 + 6347 WT0 4233 TIP3 OH2 OT -0.834000 15.9994 0 + 6348 WT0 4233 TIP3 H1 HT 0.417000 1.0080 0 + 6349 WT0 4233 TIP3 H2 HT 0.417000 1.0080 0 + 6350 WT0 4234 TIP3 OH2 OT -0.834000 15.9994 0 + 6351 WT0 4234 TIP3 H1 HT 0.417000 1.0080 0 + 6352 WT0 4234 TIP3 H2 HT 0.417000 1.0080 0 + 6353 WT0 4235 TIP3 OH2 OT -0.834000 15.9994 0 + 6354 WT0 4235 TIP3 H1 HT 0.417000 1.0080 0 + 6355 WT0 4235 TIP3 H2 HT 0.417000 1.0080 0 + 6356 WT0 4236 TIP3 OH2 OT -0.834000 15.9994 0 + 6357 WT0 4236 TIP3 H1 HT 0.417000 1.0080 0 + 6358 WT0 4236 TIP3 H2 HT 0.417000 1.0080 0 + 6359 WT0 4238 TIP3 OH2 OT -0.834000 15.9994 0 + 6360 WT0 4238 TIP3 H1 HT 0.417000 1.0080 0 + 6361 WT0 4238 TIP3 H2 HT 0.417000 1.0080 0 + 6362 WT0 4243 TIP3 OH2 OT -0.834000 15.9994 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6428 WT0 4288 TIP3 OH2 OT -0.834000 15.9994 0 + 6429 WT0 4288 TIP3 H1 HT 0.417000 1.0080 0 + 6430 WT0 4288 TIP3 H2 HT 0.417000 1.0080 0 + 6431 WT0 4291 TIP3 OH2 OT -0.834000 15.9994 0 + 6432 WT0 4291 TIP3 H1 HT 0.417000 1.0080 0 + 6433 WT0 4291 TIP3 H2 HT 0.417000 1.0080 0 + 6434 WT0 4292 TIP3 OH2 OT -0.834000 15.9994 0 + 6435 WT0 4292 TIP3 H1 HT 0.417000 1.0080 0 + 6436 WT0 4292 TIP3 H2 HT 0.417000 1.0080 0 + 6437 WT0 4293 TIP3 OH2 OT -0.834000 15.9994 0 + 6438 WT0 4293 TIP3 H1 HT 0.417000 1.0080 0 + 6439 WT0 4293 TIP3 H2 HT 0.417000 1.0080 0 + 6440 WT0 4294 TIP3 OH2 OT -0.834000 15.9994 0 + 6441 WT0 4294 TIP3 H1 HT 0.417000 1.0080 0 + 6442 WT0 4294 TIP3 H2 HT 0.417000 1.0080 0 + 6443 WT0 4295 TIP3 OH2 OT -0.834000 15.9994 0 + 6444 WT0 4295 TIP3 H1 HT 0.417000 1.0080 0 + 6445 WT0 4295 TIP3 H2 HT 0.417000 1.0080 0 + 6446 WT0 4296 TIP3 OH2 OT -0.834000 15.9994 0 + 6447 WT0 4296 TIP3 H1 HT 0.417000 1.0080 0 + 6448 WT0 4296 TIP3 H2 HT 0.417000 1.0080 0 + 6449 WT0 4297 TIP3 OH2 OT 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6558 WT0 4443 TIP3 H1 HT 0.417000 1.0080 0 + 6559 WT0 4443 TIP3 H2 HT 0.417000 1.0080 0 + 6560 WT0 4446 TIP3 OH2 OT -0.834000 15.9994 0 + 6561 WT0 4446 TIP3 H1 HT 0.417000 1.0080 0 + 6562 WT0 4446 TIP3 H2 HT 0.417000 1.0080 0 + 6563 WT0 4451 TIP3 OH2 OT -0.834000 15.9994 0 + 6564 WT0 4451 TIP3 H1 HT 0.417000 1.0080 0 + 6565 WT0 4451 TIP3 H2 HT 0.417000 1.0080 0 + 6566 WT0 4453 TIP3 OH2 OT -0.834000 15.9994 0 + 6567 WT0 4453 TIP3 H1 HT 0.417000 1.0080 0 + 6568 WT0 4453 TIP3 H2 HT 0.417000 1.0080 0 + 6569 WT0 4455 TIP3 OH2 OT -0.834000 15.9994 0 + 6570 WT0 4455 TIP3 H1 HT 0.417000 1.0080 0 + 6571 WT0 4455 TIP3 H2 HT 0.417000 1.0080 0 + 6572 WT0 4456 TIP3 OH2 OT -0.834000 15.9994 0 + 6573 WT0 4456 TIP3 H1 HT 0.417000 1.0080 0 + 6574 WT0 4456 TIP3 H2 HT 0.417000 1.0080 0 + 6575 WT0 4457 TIP3 OH2 OT -0.834000 15.9994 0 + 6576 WT0 4457 TIP3 H1 HT 0.417000 1.0080 0 + 6577 WT0 4457 TIP3 H2 HT 0.417000 1.0080 0 + 6578 WT0 4459 TIP3 OH2 OT -0.834000 15.9994 0 + 6579 WT0 4459 TIP3 H1 HT 0.417000 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6710 WT0 4531 TIP3 OH2 OT -0.834000 15.9994 0 + 6711 WT0 4531 TIP3 H1 HT 0.417000 1.0080 0 + 6712 WT0 4531 TIP3 H2 HT 0.417000 1.0080 0 + 6713 WT0 4532 TIP3 OH2 OT -0.834000 15.9994 0 + 6714 WT0 4532 TIP3 H1 HT 0.417000 1.0080 0 + 6715 WT0 4532 TIP3 H2 HT 0.417000 1.0080 0 + 6716 WT0 4536 TIP3 OH2 OT -0.834000 15.9994 0 + 6717 WT0 4536 TIP3 H1 HT 0.417000 1.0080 0 + 6718 WT0 4536 TIP3 H2 HT 0.417000 1.0080 0 + 6719 WT0 4537 TIP3 OH2 OT -0.834000 15.9994 0 + 6720 WT0 4537 TIP3 H1 HT 0.417000 1.0080 0 + 6721 WT0 4537 TIP3 H2 HT 0.417000 1.0080 0 + 6722 WT0 4538 TIP3 OH2 OT -0.834000 15.9994 0 + 6723 WT0 4538 TIP3 H1 HT 0.417000 1.0080 0 + 6724 WT0 4538 TIP3 H2 HT 0.417000 1.0080 0 + 6725 WT0 4540 TIP3 OH2 OT -0.834000 15.9994 0 + 6726 WT0 4540 TIP3 H1 HT 0.417000 1.0080 0 + 6727 WT0 4540 TIP3 H2 HT 0.417000 1.0080 0 + 6728 WT0 4541 TIP3 OH2 OT -0.834000 15.9994 0 + 6729 WT0 4541 TIP3 H1 HT 0.417000 1.0080 0 + 6730 WT0 4541 TIP3 H2 HT 0.417000 1.0080 0 + 6731 WT0 4543 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 6819 WT0 4590 TIP3 H1 HT 0.417000 1.0080 0 + 6820 WT0 4590 TIP3 H2 HT 0.417000 1.0080 0 + 6821 WT0 4591 TIP3 OH2 OT -0.834000 15.9994 0 + 6822 WT0 4591 TIP3 H1 HT 0.417000 1.0080 0 + 6823 WT0 4591 TIP3 H2 HT 0.417000 1.0080 0 + 6824 WT0 4593 TIP3 OH2 OT -0.834000 15.9994 0 + 6825 WT0 4593 TIP3 H1 HT 0.417000 1.0080 0 + 6826 WT0 4593 TIP3 H2 HT 0.417000 1.0080 0 + 6827 WT0 4595 TIP3 OH2 OT -0.834000 15.9994 0 + 6828 WT0 4595 TIP3 H1 HT 0.417000 1.0080 0 + 6829 WT0 4595 TIP3 H2 HT 0.417000 1.0080 0 + 6830 WT0 4596 TIP3 OH2 OT -0.834000 15.9994 0 + 6831 WT0 4596 TIP3 H1 HT 0.417000 1.0080 0 + 6832 WT0 4596 TIP3 H2 HT 0.417000 1.0080 0 + 6833 WT0 4599 TIP3 OH2 OT -0.834000 15.9994 0 + 6834 WT0 4599 TIP3 H1 HT 0.417000 1.0080 0 + 6835 WT0 4599 TIP3 H2 HT 0.417000 1.0080 0 + 6836 WT0 4600 TIP3 OH2 OT -0.834000 15.9994 0 + 6837 WT0 4600 TIP3 H1 HT 0.417000 1.0080 0 + 6838 WT0 4600 TIP3 H2 HT 0.417000 1.0080 0 + 6839 WT0 4602 TIP3 OH2 OT -0.834000 15.9994 0 + 6840 WT0 4602 TIP3 H1 HT 0.417000 1.0080 0 + 6841 WT0 4602 TIP3 H2 HT 0.417000 1.0080 0 + 6842 WT0 4603 TIP3 OH2 OT -0.834000 15.9994 0 + 6843 WT0 4603 TIP3 H1 HT 0.417000 1.0080 0 + 6844 WT0 4603 TIP3 H2 HT 0.417000 1.0080 0 + 6845 WT0 4604 TIP3 OH2 OT -0.834000 15.9994 0 + 6846 WT0 4604 TIP3 H1 HT 0.417000 1.0080 0 + 6847 WT0 4604 TIP3 H2 HT 0.417000 1.0080 0 + 6848 WT0 4607 TIP3 OH2 OT -0.834000 15.9994 0 + 6849 WT0 4607 TIP3 H1 HT 0.417000 1.0080 0 + 6850 WT0 4607 TIP3 H2 HT 0.417000 1.0080 0 + 6851 WT0 4610 TIP3 OH2 OT -0.834000 15.9994 0 + 6852 WT0 4610 TIP3 H1 HT 0.417000 1.0080 0 + 6853 WT0 4610 TIP3 H2 HT 0.417000 1.0080 0 + 6854 WT0 4611 TIP3 OH2 OT -0.834000 15.9994 0 + 6855 WT0 4611 TIP3 H1 HT 0.417000 1.0080 0 + 6856 WT0 4611 TIP3 H2 HT 0.417000 1.0080 0 + 6857 WT0 4612 TIP3 OH2 OT -0.834000 15.9994 0 + 6858 WT0 4612 TIP3 H1 HT 0.417000 1.0080 0 + 6859 WT0 4612 TIP3 H2 HT 0.417000 1.0080 0 + 6860 WT0 4613 TIP3 OH2 OT -0.834000 15.9994 0 + 6861 WT0 4613 TIP3 H1 HT 0.417000 1.0080 0 + 6862 WT0 4613 TIP3 H2 HT 0.417000 1.0080 0 + 6863 WT0 4614 TIP3 OH2 OT -0.834000 15.9994 0 + 6864 WT0 4614 TIP3 H1 HT 0.417000 1.0080 0 + 6865 WT0 4614 TIP3 H2 HT 0.417000 1.0080 0 + 6866 WT0 4615 TIP3 OH2 OT -0.834000 15.9994 0 + 6867 WT0 4615 TIP3 H1 HT 0.417000 1.0080 0 + 6868 WT0 4615 TIP3 H2 HT 0.417000 1.0080 0 + 6869 WT0 4617 TIP3 OH2 OT -0.834000 15.9994 0 + 6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT -0.834000 15.9994 0 + 7608 WT0 5137 TIP3 H1 HT 0.417000 1.0080 0 + 7609 WT0 5137 TIP3 H2 HT 0.417000 1.0080 0 + 7610 WT0 5138 TIP3 OH2 OT -0.834000 15.9994 0 + 7611 WT0 5138 TIP3 H1 HT 0.417000 1.0080 0 + 7612 WT0 5138 TIP3 H2 HT 0.417000 1.0080 0 + 7613 WT0 5140 TIP3 OH2 OT -0.834000 15.9994 0 + 7614 WT0 5140 TIP3 H1 HT 0.417000 1.0080 0 + 7615 WT0 5140 TIP3 H2 HT 0.417000 1.0080 0 + 7616 WT0 5146 TIP3 OH2 OT -0.834000 15.9994 0 + 7617 WT0 5146 TIP3 H1 HT 0.417000 1.0080 0 + 7618 WT0 5146 TIP3 H2 HT 0.417000 1.0080 0 + 7619 WT0 5149 TIP3 OH2 OT -0.834000 15.9994 0 + 7620 WT0 5149 TIP3 H1 HT 0.417000 1.0080 0 + 7621 WT0 5149 TIP3 H2 HT 0.417000 1.0080 0 + 7622 WT0 5151 TIP3 OH2 OT -0.834000 15.9994 0 + 7623 WT0 5151 TIP3 H1 HT 0.417000 1.0080 0 + 7624 WT0 5151 TIP3 H2 HT 0.417000 1.0080 0 + 7625 WT0 5152 TIP3 OH2 OT -0.834000 15.9994 0 + 7626 WT0 5152 TIP3 H1 HT 0.417000 1.0080 0 + 7627 WT0 5152 TIP3 H2 HT 0.417000 1.0080 0 + 7628 WT0 5153 TIP3 OH2 OT -0.834000 15.9994 0 + 7629 WT0 5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 + 7651 WT0 5164 TIP3 H2 HT 0.417000 1.0080 0 + 7652 WT0 5165 TIP3 OH2 OT -0.834000 15.9994 0 + 7653 WT0 5165 TIP3 H1 HT 0.417000 1.0080 0 + 7654 WT0 5165 TIP3 H2 HT 0.417000 1.0080 0 + 7655 WT0 5166 TIP3 OH2 OT -0.834000 15.9994 0 + 7656 WT0 5166 TIP3 H1 HT 0.417000 1.0080 0 + 7657 WT0 5166 TIP3 H2 HT 0.417000 1.0080 0 + 7658 WT0 5173 TIP3 OH2 OT -0.834000 15.9994 0 + 7659 WT0 5173 TIP3 H1 HT 0.417000 1.0080 0 + 7660 WT0 5173 TIP3 H2 HT 0.417000 1.0080 0 + 7661 WT0 5176 TIP3 OH2 OT -0.834000 15.9994 0 + 7662 WT0 5176 TIP3 H1 HT 0.417000 1.0080 0 + 7663 WT0 5176 TIP3 H2 HT 0.417000 1.0080 0 + 7664 WT0 5181 TIP3 OH2 OT -0.834000 15.9994 0 + 7665 WT0 5181 TIP3 H1 HT 0.417000 1.0080 0 + 7666 WT0 5181 TIP3 H2 HT 0.417000 1.0080 0 + 7667 WT0 5182 TIP3 OH2 OT -0.834000 15.9994 0 + 7668 WT0 5182 TIP3 H1 HT 0.417000 1.0080 0 + 7669 WT0 5182 TIP3 H2 HT 0.417000 1.0080 0 + 7670 WT0 5190 TIP3 OH2 OT -0.834000 15.9994 0 + 7671 WT0 5190 TIP3 H1 HT 0.417000 1.0080 0 + 7672 WT0 5190 TIP3 H2 HT 0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 + 8497 WT0 5891 TIP3 H2 HT 0.417000 1.0080 0 + 8498 WT0 5894 TIP3 OH2 OT -0.834000 15.9994 0 + 8499 WT0 5894 TIP3 H1 HT 0.417000 1.0080 0 + 8500 WT0 5894 TIP3 H2 HT 0.417000 1.0080 0 + 8501 WT0 5895 TIP3 OH2 OT -0.834000 15.9994 0 + 8502 WT0 5895 TIP3 H1 HT 0.417000 1.0080 0 + 8503 WT0 5895 TIP3 H2 HT 0.417000 1.0080 0 + 8504 WT0 5897 TIP3 OH2 OT -0.834000 15.9994 0 + 8505 WT0 5897 TIP3 H1 HT 0.417000 1.0080 0 + 8506 WT0 5897 TIP3 H2 HT 0.417000 1.0080 0 + 8507 WT0 5899 TIP3 OH2 OT -0.834000 15.9994 0 + 8508 WT0 5899 TIP3 H1 HT 0.417000 1.0080 0 + 8509 WT0 5899 TIP3 H2 HT 0.417000 1.0080 0 + 8510 WT0 5901 TIP3 OH2 OT -0.834000 15.9994 0 + 8511 WT0 5901 TIP3 H1 HT 0.417000 1.0080 0 + 8512 WT0 5901 TIP3 H2 HT 0.417000 1.0080 0 + 8513 WT0 5903 TIP3 OH2 OT -0.834000 15.9994 0 + 8514 WT0 5903 TIP3 H1 HT 0.417000 1.0080 0 + 8515 WT0 5903 TIP3 H2 HT 0.417000 1.0080 0 + 8516 WT0 5904 TIP3 OH2 OT -0.834000 15.9994 0 + 8517 WT0 5904 TIP3 H1 HT 0.417000 1.0080 0 + 8518 WT0 5904 TIP3 H2 HT 0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT -0.834000 15.9994 0 + 8736 WT0 6057 TIP3 H1 HT 0.417000 1.0080 0 + 8737 WT0 6057 TIP3 H2 HT 0.417000 1.0080 0 + 8738 WT0 6060 TIP3 OH2 OT -0.834000 15.9994 0 + 8739 WT0 6060 TIP3 H1 HT 0.417000 1.0080 0 + 8740 WT0 6060 TIP3 H2 HT 0.417000 1.0080 0 + 8741 WT0 6061 TIP3 OH2 OT -0.834000 15.9994 0 + 8742 WT0 6061 TIP3 H1 HT 0.417000 1.0080 0 + 8743 WT0 6061 TIP3 H2 HT 0.417000 1.0080 0 + 8744 WT0 6068 TIP3 OH2 OT -0.834000 15.9994 0 + 8745 WT0 6068 TIP3 H1 HT 0.417000 1.0080 0 + 8746 WT0 6068 TIP3 H2 HT 0.417000 1.0080 0 + 8747 WT0 6080 TIP3 OH2 OT -0.834000 15.9994 0 + 8748 WT0 6080 TIP3 H1 HT 0.417000 1.0080 0 + 8749 WT0 6080 TIP3 H2 HT 0.417000 1.0080 0 + 8750 WT0 6082 TIP3 OH2 OT -0.834000 15.9994 0 + 8751 WT0 6082 TIP3 H1 HT 0.417000 1.0080 0 + 8752 WT0 6082 TIP3 H2 HT 0.417000 1.0080 0 + 8753 WT0 6090 TIP3 OH2 OT -0.834000 15.9994 0 + 8754 WT0 6090 TIP3 H1 HT 0.417000 1.0080 0 + 8755 WT0 6090 TIP3 H2 HT 0.417000 1.0080 0 + 8756 WT0 6091 TIP3 OH2 OT -0.834000 15.9994 0 + 8757 WT0 6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 + 8779 WT0 6124 TIP3 H2 HT 0.417000 1.0080 0 + 8780 WT0 6129 TIP3 OH2 OT -0.834000 15.9994 0 + 8781 WT0 6129 TIP3 H1 HT 0.417000 1.0080 0 + 8782 WT0 6129 TIP3 H2 HT 0.417000 1.0080 0 + 8783 WT0 6136 TIP3 OH2 OT -0.834000 15.9994 0 + 8784 WT0 6136 TIP3 H1 HT 0.417000 1.0080 0 + 8785 WT0 6136 TIP3 H2 HT 0.417000 1.0080 0 + 8786 WT0 6138 TIP3 OH2 OT -0.834000 15.9994 0 + 8787 WT0 6138 TIP3 H1 HT 0.417000 1.0080 0 + 8788 WT0 6138 TIP3 H2 HT 0.417000 1.0080 0 + 8789 WT0 6139 TIP3 OH2 OT -0.834000 15.9994 0 + 8790 WT0 6139 TIP3 H1 HT 0.417000 1.0080 0 + 8791 WT0 6139 TIP3 H2 HT 0.417000 1.0080 0 + 8792 WT0 6146 TIP3 OH2 OT -0.834000 15.9994 0 + 8793 WT0 6146 TIP3 H1 HT 0.417000 1.0080 0 + 8794 WT0 6146 TIP3 H2 HT 0.417000 1.0080 0 + 8795 WT0 6157 TIP3 OH2 OT -0.834000 15.9994 0 + 8796 WT0 6157 TIP3 H1 HT 0.417000 1.0080 0 + 8797 WT0 6157 TIP3 H2 HT 0.417000 1.0080 0 + 8798 WT0 6158 TIP3 OH2 OT -0.834000 15.9994 0 + 8799 WT0 6158 TIP3 H1 HT 0.417000 1.0080 0 + 8800 WT0 6158 TIP3 H2 HT 0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 1.0080 0 + 8872 WT0 6230 TIP3 H2 HT 0.417000 1.0080 0 + 8873 WT0 6231 TIP3 OH2 OT -0.834000 15.9994 0 + 8874 WT0 6231 TIP3 H1 HT 0.417000 1.0080 0 + 8875 WT0 6231 TIP3 H2 HT 0.417000 1.0080 0 + 8876 WT0 6233 TIP3 OH2 OT -0.834000 15.9994 0 + 8877 WT0 6233 TIP3 H1 HT 0.417000 1.0080 0 + 8878 WT0 6233 TIP3 H2 HT 0.417000 1.0080 0 + 8879 WT0 6238 TIP3 OH2 OT -0.834000 15.9994 0 + 8880 WT0 6238 TIP3 H1 HT 0.417000 1.0080 0 + 8881 WT0 6238 TIP3 H2 HT 0.417000 1.0080 0 + 8882 WT0 6240 TIP3 OH2 OT -0.834000 15.9994 0 + 8883 WT0 6240 TIP3 H1 HT 0.417000 1.0080 0 + 8884 WT0 6240 TIP3 H2 HT 0.417000 1.0080 0 + 8885 WT0 6241 TIP3 OH2 OT -0.834000 15.9994 0 + 8886 WT0 6241 TIP3 H1 HT 0.417000 1.0080 0 + 8887 WT0 6241 TIP3 H2 HT 0.417000 1.0080 0 + 8888 WT0 6242 TIP3 OH2 OT -0.834000 15.9994 0 + 8889 WT0 6242 TIP3 H1 HT 0.417000 1.0080 0 + 8890 WT0 6242 TIP3 H2 HT 0.417000 1.0080 0 + 8891 WT0 6243 TIP3 OH2 OT -0.834000 15.9994 0 + 8892 WT0 6243 TIP3 H1 HT 0.417000 1.0080 0 + 8893 WT0 6243 TIP3 H2 HT 0.417000 1.0080 0 + 8894 WT0 6245 TIP3 OH2 OT -0.834000 15.9994 0 + 8895 WT0 6245 TIP3 H1 HT 0.417000 1.0080 0 + 8896 WT0 6245 TIP3 H2 HT 0.417000 1.0080 0 + 8897 WT0 6246 TIP3 OH2 OT -0.834000 15.9994 0 + 8898 WT0 6246 TIP3 H1 HT 0.417000 1.0080 0 + 8899 WT0 6246 TIP3 H2 HT 0.417000 1.0080 0 + 8900 WT0 6247 TIP3 OH2 OT -0.834000 15.9994 0 + 8901 WT0 6247 TIP3 H1 HT 0.417000 1.0080 0 + 8902 WT0 6247 TIP3 H2 HT 0.417000 1.0080 0 + 8903 WT0 6249 TIP3 OH2 OT -0.834000 15.9994 0 + 8904 WT0 6249 TIP3 H1 HT 0.417000 1.0080 0 + 8905 WT0 6249 TIP3 H2 HT 0.417000 1.0080 0 + 8906 WT0 6250 TIP3 OH2 OT -0.834000 15.9994 0 + 8907 WT0 6250 TIP3 H1 HT 0.417000 1.0080 0 + 8908 WT0 6250 TIP3 H2 HT 0.417000 1.0080 0 + 8909 WT0 6252 TIP3 OH2 OT -0.834000 15.9994 0 + 8910 WT0 6252 TIP3 H1 HT 0.417000 1.0080 0 + 8911 WT0 6252 TIP3 H2 HT 0.417000 1.0080 0 + 8912 WT0 6253 TIP3 OH2 OT -0.834000 15.9994 0 + 8913 WT0 6253 TIP3 H1 HT 0.417000 1.0080 0 + 8914 WT0 6253 TIP3 H2 HT 0.417000 1.0080 0 + 8915 WT0 6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT 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6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT -0.834000 15.9994 0 + 9024 WT0 6315 TIP3 H1 HT 0.417000 1.0080 0 + 9025 WT0 6315 TIP3 H2 HT 0.417000 1.0080 0 + 9026 WT0 6316 TIP3 OH2 OT -0.834000 15.9994 0 + 9027 WT0 6316 TIP3 H1 HT 0.417000 1.0080 0 + 9028 WT0 6316 TIP3 H2 HT 0.417000 1.0080 0 + 9029 WT0 6318 TIP3 OH2 OT -0.834000 15.9994 0 + 9030 WT0 6318 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 + 9082 WT0 6348 TIP3 H2 HT 0.417000 1.0080 0 + 9083 WT0 6351 TIP3 OH2 OT -0.834000 15.9994 0 + 9084 WT0 6351 TIP3 H1 HT 0.417000 1.0080 0 + 9085 WT0 6351 TIP3 H2 HT 0.417000 1.0080 0 + 9086 WT0 6355 TIP3 OH2 OT -0.834000 15.9994 0 + 9087 WT0 6355 TIP3 H1 HT 0.417000 1.0080 0 + 9088 WT0 6355 TIP3 H2 HT 0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 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6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT -0.834000 15.9994 0 + 9300 WT0 6545 TIP3 H1 HT 0.417000 1.0080 0 + 9301 WT0 6545 TIP3 H2 HT 0.417000 1.0080 0 + 9302 WT0 6547 TIP3 OH2 OT -0.834000 15.9994 0 + 9303 WT0 6547 TIP3 H1 HT 0.417000 1.0080 0 + 9304 WT0 6547 TIP3 H2 HT 0.417000 1.0080 0 + 9305 WT0 6551 TIP3 OH2 OT -0.834000 15.9994 0 + 9306 WT0 6551 TIP3 H1 HT 0.417000 1.0080 0 + 9307 WT0 6551 TIP3 H2 HT 0.417000 1.0080 0 + 9308 WT0 6554 TIP3 OH2 OT -0.834000 15.9994 0 + 9309 WT0 6554 TIP3 H1 HT 0.417000 1.0080 0 + 9310 WT0 6554 TIP3 H2 HT 0.417000 1.0080 0 + 9311 WT0 6555 TIP3 OH2 OT -0.834000 15.9994 0 + 9312 WT0 6555 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 + 9343 WT0 6602 TIP3 H2 HT 0.417000 1.0080 0 + 9344 WT0 6604 TIP3 OH2 OT -0.834000 15.9994 0 + 9345 WT0 6604 TIP3 H1 HT 0.417000 1.0080 0 + 9346 WT0 6604 TIP3 H2 HT 0.417000 1.0080 0 + 9347 WT0 6614 TIP3 OH2 OT -0.834000 15.9994 0 + 9348 WT0 6614 TIP3 H1 HT 0.417000 1.0080 0 + 9349 WT0 6614 TIP3 H2 HT 0.417000 1.0080 0 + 9350 WT0 6615 TIP3 OH2 OT -0.834000 15.9994 0 + 9351 WT0 6615 TIP3 H1 HT 0.417000 1.0080 0 + 9352 WT0 6615 TIP3 H2 HT 0.417000 1.0080 0 + 9353 WT0 6616 TIP3 OH2 OT -0.834000 15.9994 0 + 9354 WT0 6616 TIP3 H1 HT 0.417000 1.0080 0 + 9355 WT0 6616 TIP3 H2 HT 0.417000 1.0080 0 + 9356 WT0 6618 TIP3 OH2 OT -0.834000 15.9994 0 + 9357 WT0 6618 TIP3 H1 HT 0.417000 1.0080 0 + 9358 WT0 6618 TIP3 H2 HT 0.417000 1.0080 0 + 9359 WT0 6623 TIP3 OH2 OT -0.834000 15.9994 0 + 9360 WT0 6623 TIP3 H1 HT 0.417000 1.0080 0 + 9361 WT0 6623 TIP3 H2 HT 0.417000 1.0080 0 + 9362 WT0 6628 TIP3 OH2 OT -0.834000 15.9994 0 + 9363 WT0 6628 TIP3 H1 HT 0.417000 1.0080 0 + 9364 WT0 6628 TIP3 H2 HT 0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 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0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 + + 1 0 !NGRP + 0 0 0 + + 5 !NCRTERM: cross-terms + 190 192 194 197 192 194 197 199 + 214 216 218 221 216 218 221 223 + 265 267 269 272 267 269 272 274 + 380 382 384 387 382 384 387 389 + 544 546 548 551 546 548 551 553 + diff --git a/adaptivemd/generators/ntl9_1ns_2/input b/adaptivemd/generators/ntl9_1ns_2/input new file mode 100644 index 0000000..3a90054 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_2/input @@ -0,0 +1,18 @@ +bincoordinates input.coor +coordinates structure.pdb +cutoff 9 +extendedsystem input.xsc +thermostat on +thermostatdamping 0.1 +thermostattemp 350 +parameters parameters +pme on +restart on +structure structure.psf +switchdist 7.5 +switching on +temperature 350 +timestep 4 +trajectoryfile output.xtc +trajectoryperiod 25000 +run 250000 diff --git a/adaptivemd/generators/ntl9_1ns_2/input.coor b/adaptivemd/generators/ntl9_1ns_2/input.coor new file mode 100644 index 0000000..246c45e Binary files /dev/null and b/adaptivemd/generators/ntl9_1ns_2/input.coor differ diff --git a/adaptivemd/generators/ntl9_1ns_2/input.xsc b/adaptivemd/generators/ntl9_1ns_2/input.xsc new file mode 100644 index 0000000..5a9cda3 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_2/input.xsc @@ -0,0 +1,3 @@ +# Extended system configuration restart file +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z s_x s_y s_z s_u s_v s_w +10000000 5.048889e+01 0 0 0 5.049091e+01 0 0 0 5.041617e+01 0 0 0 0 0 0 0 0 0 diff --git a/adaptivemd/generators/ntl9_1ns_2/parameters b/adaptivemd/generators/ntl9_1ns_2/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_2/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 3.451510 +3.319160 3.052900 3.873720 2.420650 0.949100 +0.008370 -1.382980 -2.138930 -2.087380 -1.268300 +-0.494370 0.267580 0.908250 0.537520 0.306260 +0.069540 0.097460 0.263060 0.603220 + +!-75 +1.396790 3.349090 2.180920 2.942960 3.814070 +3.675800 3.555310 3.887290 2.101260 -0.190940 +-0.732240 -1.382040 -0.673880 -0.817390 -0.826980 +-0.111800 0.053710 0.296400 0.692240 0.428960 +-0.036100 -0.033820 -0.194300 0.400210 + +!-60 +0.246650 1.229980 1.716960 3.168570 4.208190 +4.366860 4.251080 3.348110 0.997540 -1.287540 +-1.179900 -0.684300 -0.853660 -1.158760 -0.347550 +0.114810 0.242800 0.322420 0.370140 -0.374950 +-0.676940 -1.323430 -1.366650 -0.218770 + +!-45 +-1.196730 0.078060 2.347410 4.211350 5.376000 +5.364940 4.355200 2.436510 0.408470 -0.590840 +-0.435960 -0.501210 -0.822230 -0.607210 0.057910 +0.246580 -0.070570 0.379430 0.247770 -0.571680 +-1.282910 -1.715770 -1.839820 -1.987110 + +!-30 +-1.174720 1.067030 4.180460 6.741610 6.070770 +4.781470 2.758340 1.295810 0.571150 -0.196480 +0.251860 -0.732140 1.289360 1.497590 1.890550 +2.198490 0.169290 0.534000 0.331780 -1.276320 +-2.550070 -3.312150 -3.136670 -2.642260 + +!-15 +0.293590 5.588070 3.732620 3.217620 3.272450 +2.492320 1.563700 1.356760 0.831410 0.630170 +1.591970 0.821920 0.486070 0.715760 0.996020 +1.591580 -0.367400 0.181770 -0.613920 -2.267900 +-3.516460 -3.597700 -3.043340 -1.765020 + +!0 +2.832310 0.787990 0.323280 0.479230 0.628600 +0.976330 1.238750 1.671950 1.645480 2.520340 +1.606970 0.776350 0.119780 0.070390 0.121170 +-1.569230 -1.213010 -1.846360 -2.744510 -3.792530 +-3.934880 -3.615930 -2.675750 -0.924170 + +!15 +-0.778340 -1.912680 -2.052140 -1.846280 -1.047430 +0.183400 1.682950 2.223500 1.358370 2.448660 +1.436920 0.678570 -0.237060 -0.535320 -0.790380 +-2.182580 -3.251140 -4.195110 -4.269270 -3.908210 +-3.455620 -2.773970 1.755370 0.313410 + +!30 +-2.963810 -3.483730 -3.517080 -2.724860 -1.405510 +0.336200 1.428450 1.394630 0.970370 2.462720 +1.522430 0.553620 -0.407380 -1.482950 -3.613920 +-4.159810 -4.945580 -4.784040 -3.764540 -2.959140 +-1.963850 -1.071260 -1.599580 -2.445320 + +!45 +-4.029070 -3.932660 -3.558480 -2.513980 -1.037320 +0.362000 0.814380 0.754110 0.502370 1.903420 +0.770220 -0.416420 -3.286310 -3.875270 -4.907800 +-5.704430 -5.645660 -4.396040 -2.865450 -2.368170 +-2.860490 -3.416560 -3.666490 -3.859070 + +!60 +-3.338270 -2.960220 -2.311700 -1.272890 -0.246470 +0.722610 0.668070 0.438130 2.395330 1.632470 +-2.041450 -3.218100 -3.915080 -4.852510 -5.696500 +-6.314370 -5.683690 -4.170620 -3.141000 -3.508820 +-3.756430 -3.640810 -3.640430 -3.550690 + +!75 +-2.244860 -1.632100 -1.000640 -0.170440 0.526440 +0.823710 0.517140 -0.013120 -0.370910 -1.213720 +-2.305650 -3.420580 -4.484960 -5.693140 -6.199150 +-6.253870 -5.211310 -4.174380 -3.685150 -4.151360 +-4.161970 -3.725150 -3.715310 -2.606760 + +!90 +-1.720840 -1.177830 -0.428430 0.277730 0.807900 +0.803260 0.482510 -0.336900 -0.786270 -1.774070 +-2.793220 -3.828560 -5.211800 -6.636850 -6.989940 +-6.108800 -5.452410 -3.911450 -4.321000 -4.587240 +-4.102610 -3.772820 -3.157300 -2.648390 + +!105 +-1.850640 -1.092420 -0.445020 0.128490 1.005520 +0.884820 0.485850 -0.218470 -0.857670 -1.682330 +-3.014400 -4.481110 -6.053510 -6.865400 -6.871130 +-5.728240 -3.912230 -4.802110 -5.034640 -4.715990 +-4.601080 -4.086220 -3.274630 -2.410940 + +!120 +-1.969230 -1.116650 -0.540250 -0.150330 0.763520 +1.038890 0.758480 0.313530 -0.333050 -1.872770 +-3.366270 -5.008260 -6.124810 -7.034830 -6.724320 +-3.700200 -4.510620 -5.185650 -5.361620 -4.847490 +-4.444320 -4.004260 -3.415720 -2.751230 + +!135 +-2.111250 -1.168960 -0.322790 -0.006920 0.316660 +1.086270 0.939170 0.625340 -0.166360 -1.830310 +-3.469470 -4.946030 -6.112560 -1.915580 -4.047310 +-4.996740 -4.996730 -4.842690 -4.886620 -4.300540 +-4.494620 -4.442210 -4.163570 -3.183510 + +!150 +-1.757590 -0.403620 0.023920 0.362390 0.634520 +1.264920 1.361360 0.948420 -0.073680 -1.483560 +-3.152820 1.835120 -1.762860 -5.093660 -5.744830 +-5.390070 -4.783930 -4.190630 -4.115420 -4.042280 +-4.125570 -4.028550 -4.026100 -2.937910 + +!165 +-0.810590 -0.071500 0.378890 0.543310 1.277880 +1.641310 1.698840 1.519950 0.631950 -1.088670 +-2.736530 -0.735240 -4.563830 -6.408350 -5.889450 +-5.141750 -4.194970 -3.666490 -3.843450 -3.818830 +-3.826180 -3.596820 -2.994790 -2.231020 + +! alanine before proline map +C NH1 CT1 C NH1 CT1 C N 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 3.451510 +3.319160 3.052900 3.873720 2.420650 0.949100 +0.008370 -1.382980 -2.138930 -2.087380 -1.268300 +-0.494370 0.267580 0.908250 0.537520 0.306260 +0.069540 0.097460 0.263060 0.603220 + +!-75 +1.396790 3.349090 2.180920 2.942960 3.814070 +3.675800 3.555310 3.887290 2.101260 -0.190940 +-0.732240 -1.382040 -0.673880 -0.817390 -0.826980 +-0.111800 0.053710 0.296400 0.692240 0.428960 +-0.036100 -0.033820 -0.194300 0.400210 + +!-60 +0.246650 1.229980 1.716960 3.168570 4.208190 +4.366860 4.251080 3.348110 0.997540 -1.287540 +-1.179900 -0.684300 -0.853660 -1.158760 -0.347550 +0.114810 0.242800 0.322420 0.370140 -0.374950 +-0.676940 -1.323430 -1.366650 -0.218770 + +!-45 +-1.196730 0.078060 2.347410 4.211350 5.376000 +5.364940 4.355200 2.436510 0.408470 -0.590840 +-0.435960 -0.501210 -0.822230 -0.607210 0.057910 +0.246580 -0.070570 0.379430 0.247770 -0.571680 +-1.282910 -1.715770 -1.839820 -1.987110 + +!-30 +-1.174720 1.067030 4.180460 6.741610 6.070770 +4.781470 2.758340 1.295810 0.571150 -0.196480 +0.251860 -0.732140 1.289360 1.497590 1.890550 +2.198490 0.169290 0.534000 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Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/generators/ntl9_1ns_2/run.sh b/adaptivemd/generators/ntl9_1ns_2/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_2/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/generators/ntl9_1ns_2/structure.pdb b/adaptivemd/generators/ntl9_1ns_2/structure.pdb new file mode 100644 index 0000000..66e1bdc --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_2/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 -2.983 -36.378 4.490 0.00 0.00 P C +ATOM 2 HY1 MET 1 -2.923 -36.998 3.570 0.00 0.00 P H +ATOM 3 HY2 MET 1 -2.913 -37.158 5.270 0.00 0.00 P H +ATOM 4 HY3 MET 1 -2.103 -35.708 4.600 0.00 0.00 P H +ATOM 5 CY MET 1 -4.313 -35.688 4.620 0.00 0.00 P C +ATOM 6 OY MET 1 -5.433 -36.278 4.450 0.00 0.00 P O +ATOM 7 N MET 1 -4.223 -34.298 4.830 0.00 0.00 P N +ATOM 8 HN MET 1 -3.363 -33.858 5.040 0.00 0.00 P H +ATOM 9 CA MET 1 -5.443 -33.518 4.770 0.00 0.00 P C +ATOM 10 HA MET 1 -6.143 -33.628 5.590 0.00 0.00 P H +ATOM 11 CB MET 1 -5.063 -32.058 5.150 0.00 0.00 P C +ATOM 12 HB1 MET 1 -4.023 -32.018 4.760 0.00 0.00 P H +ATOM 13 HB2 MET 1 -5.583 -31.258 4.570 0.00 0.00 P H +ATOM 14 CG MET 1 -4.763 -31.698 6.560 0.00 0.00 P C +ATOM 15 HG1 MET 1 -3.953 -32.338 6.980 0.00 0.00 P H +ATOM 16 HG2 MET 1 -4.473 -30.618 6.500 0.00 0.00 P H +ATOM 17 SD MET 1 -6.353 -31.708 7.390 0.00 0.00 P S +ATOM 18 CE MET 1 -5.803 -31.518 9.040 0.00 0.00 P C +ATOM 19 HE1 MET 1 -4.903 -30.888 9.230 0.00 0.00 P H +ATOM 20 HE2 MET 1 -6.553 -31.068 9.720 0.00 0.00 P H +ATOM 21 HE3 MET 1 -5.493 -32.488 9.480 0.00 0.00 P H +ATOM 22 C MET 1 -6.413 -33.538 3.640 0.00 0.00 P C +ATOM 23 O MET 1 -6.223 -33.208 2.510 0.00 0.00 P O +ATOM 24 N LYS 2 -7.623 -33.938 3.990 0.00 0.00 P N +ATOM 25 HN LYS 2 -7.723 -34.478 4.820 0.00 0.00 P H +ATOM 26 CA LYS 2 -8.753 -34.048 3.040 0.00 0.00 P C +ATOM 27 HA LYS 2 -8.403 -34.308 2.050 0.00 0.00 P H +ATOM 28 CB LYS 2 -9.643 -35.318 3.440 0.00 0.00 P C +ATOM 29 HB1 LYS 2 -9.853 -35.138 4.510 0.00 0.00 P H +ATOM 30 HB2 LYS 2 -10.653 -35.508 2.990 0.00 0.00 P H +ATOM 31 CG LYS 2 -8.783 -36.558 3.220 0.00 0.00 P C +ATOM 32 HG1 LYS 2 -8.373 -36.588 2.190 0.00 0.00 P H +ATOM 33 HG2 LYS 2 -8.003 -36.808 3.970 0.00 0.00 P H +ATOM 34 CD LYS 2 -9.573 -37.858 3.240 0.00 0.00 P C +ATOM 35 HD1 LYS 2 -10.183 -37.728 4.160 0.00 0.00 P H +ATOM 36 HD2 LYS 2 -10.323 -37.848 2.420 0.00 0.00 P H +ATOM 37 CE LYS 2 -8.713 -39.118 3.180 0.00 0.00 P C +ATOM 38 HE1 LYS 2 -8.393 -39.188 2.120 0.00 0.00 P H +ATOM 39 HE2 LYS 2 -7.973 -38.928 3.990 0.00 0.00 P H +ATOM 40 NZ LYS 2 -9.403 -40.328 3.590 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 -10.303 -40.358 3.060 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 -8.833 -41.108 3.210 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 -9.533 -40.428 4.610 0.00 0.00 P H +ATOM 44 C LYS 2 -9.533 -32.738 2.940 0.00 0.00 P C +ATOM 45 O LYS 2 -10.303 -32.488 2.090 0.00 0.00 P O +ATOM 46 N VAL 3 -9.343 -31.778 3.950 0.00 0.00 P N +ATOM 47 HN VAL 3 -8.803 -32.048 4.730 0.00 0.00 P H +ATOM 48 CA VAL 3 -10.433 -30.998 4.360 0.00 0.00 P C +ATOM 49 HA VAL 3 -11.403 -31.278 3.970 0.00 0.00 P H +ATOM 50 CB VAL 3 -10.873 -31.108 5.790 0.00 0.00 P C +ATOM 51 HB VAL 3 -11.863 -30.648 5.950 0.00 0.00 P H +ATOM 52 CG1 VAL 3 -10.933 -32.558 6.320 0.00 0.00 P C +ATOM 53 HG11 VAL 3 -11.113 -32.688 7.400 0.00 0.00 P H +ATOM 54 HG12 VAL 3 -11.733 -33.158 5.840 0.00 0.00 P H +ATOM 55 HG13 VAL 3 -10.073 -33.198 6.030 0.00 0.00 P H +ATOM 56 CG2 VAL 3 -9.753 -30.408 6.630 0.00 0.00 P C +ATOM 57 HG21 VAL 3 -9.763 -30.828 7.660 0.00 0.00 P H +ATOM 58 HG22 VAL 3 -8.833 -30.808 6.150 0.00 0.00 P H +ATOM 59 HG23 VAL 3 -9.793 -29.298 6.590 0.00 0.00 P H +ATOM 60 C VAL 3 -10.303 -29.548 4.010 0.00 0.00 P C +ATOM 61 O VAL 3 -10.813 -28.628 4.660 0.00 0.00 P O +ATOM 62 N ILE 4 -9.563 -29.148 2.980 0.00 0.00 P N +ATOM 63 HN ILE 4 -9.183 -29.858 2.390 0.00 0.00 P H +ATOM 64 CA ILE 4 -9.053 -27.858 2.830 0.00 0.00 P C +ATOM 65 HA ILE 4 -9.083 -27.358 3.790 0.00 0.00 P H +ATOM 66 CB ILE 4 -7.633 -27.868 2.350 0.00 0.00 P C +ATOM 67 HB ILE 4 -7.593 -28.108 1.260 0.00 0.00 P H +ATOM 68 CG2 ILE 4 -7.023 -26.568 2.530 0.00 0.00 P C +ATOM 69 HG21 ILE 4 -5.983 -26.488 2.140 0.00 0.00 P H +ATOM 70 HG22 ILE 4 -7.533 -25.808 1.910 0.00 0.00 P H +ATOM 71 HG23 ILE 4 -6.943 -26.278 3.600 0.00 0.00 P H +ATOM 72 CG1 ILE 4 -6.833 -28.878 3.260 0.00 0.00 P C +ATOM 73 HG11 ILE 4 -7.193 -29.888 2.970 0.00 0.00 P H +ATOM 74 HG12 ILE 4 -5.763 -28.898 2.970 0.00 0.00 P H +ATOM 75 CD ILE 4 -6.903 -28.708 4.720 0.00 0.00 P C +ATOM 76 HD1 ILE 4 -7.903 -28.618 5.190 0.00 0.00 P H +ATOM 77 HD2 ILE 4 -6.353 -29.538 5.210 0.00 0.00 P H +ATOM 78 HD3 ILE 4 -6.303 -27.778 4.840 0.00 0.00 P H +ATOM 79 C ILE 4 -9.863 -27.038 1.870 0.00 0.00 P C +ATOM 80 O ILE 4 -10.033 -27.488 0.760 0.00 0.00 P O +ATOM 81 N PHE 5 -10.443 -25.868 2.260 0.00 0.00 P N +ATOM 82 HN PHE 5 -10.283 -25.548 3.190 0.00 0.00 P H +ATOM 83 CA PHE 5 -11.343 -25.098 1.470 0.00 0.00 P C +ATOM 84 HA PHE 5 -12.113 -25.688 1.010 0.00 0.00 P H +ATOM 85 CB PHE 5 -12.213 -24.218 2.470 0.00 0.00 P C +ATOM 86 HB1 PHE 5 -12.673 -24.898 3.220 0.00 0.00 P H +ATOM 87 HB2 PHE 5 -11.403 -23.758 3.080 0.00 0.00 P H +ATOM 88 CG PHE 5 -13.183 -23.328 1.830 0.00 0.00 P C +ATOM 89 CD1 PHE 5 -12.923 -22.018 1.670 0.00 0.00 P C +ATOM 90 HD1 PHE 5 -11.983 -21.598 2.000 0.00 0.00 P H +ATOM 91 CE1 PHE 5 -13.793 -21.098 0.940 0.00 0.00 P C +ATOM 92 HE1 PHE 5 -13.563 -20.078 0.690 0.00 0.00 P H +ATOM 93 CZ PHE 5 -15.023 -21.628 0.530 0.00 0.00 P C +ATOM 94 HZ PHE 5 -15.683 -21.038 -0.080 0.00 0.00 P H +ATOM 95 CD2 PHE 5 -14.553 -23.768 1.570 0.00 0.00 P C +ATOM 96 HD2 PHE 5 -14.853 -24.778 1.810 0.00 0.00 P H +ATOM 97 CE2 PHE 5 -15.443 -22.938 0.880 0.00 0.00 P C +ATOM 98 HE2 PHE 5 -16.433 -23.128 0.490 0.00 0.00 P H +ATOM 99 C PHE 5 -10.563 -24.238 0.460 0.00 0.00 P C +ATOM 100 O PHE 5 -10.993 -23.908 -0.590 0.00 0.00 P O +ATOM 101 N LEU 6 -9.343 -23.928 0.870 0.00 0.00 P N +ATOM 102 HN LEU 6 -8.903 -24.208 1.720 0.00 0.00 P H +ATOM 103 CA LEU 6 -8.543 -22.998 0.140 0.00 0.00 P C +ATOM 104 HA LEU 6 -8.433 -23.498 -0.810 0.00 0.00 P H +ATOM 105 CB LEU 6 -9.163 -21.548 -0.150 0.00 0.00 P C +ATOM 106 HB1 LEU 6 -10.213 -21.568 -0.490 0.00 0.00 P H +ATOM 107 HB2 LEU 6 -9.193 -21.048 0.840 0.00 0.00 P H +ATOM 108 CG LEU 6 -8.453 -20.648 -1.160 0.00 0.00 P C +ATOM 109 HG LEU 6 -8.133 -21.298 -1.990 0.00 0.00 P H +ATOM 110 CD1 LEU 6 -9.483 -19.658 -1.720 0.00 0.00 P C +ATOM 111 HD11 LEU 6 -8.873 -18.768 -2.000 0.00 0.00 P H +ATOM 112 HD12 LEU 6 -10.193 -20.048 -2.470 0.00 0.00 P H +ATOM 113 HD13 LEU 6 -10.133 -19.238 -0.930 0.00 0.00 P H +ATOM 114 CD2 LEU 6 -7.193 -19.808 -0.590 0.00 0.00 P C +ATOM 115 HD21 LEU 6 -6.453 -20.328 0.060 0.00 0.00 P H +ATOM 116 HD22 LEU 6 -6.543 -19.578 -1.470 0.00 0.00 P H +ATOM 117 HD23 LEU 6 -7.543 -18.878 -0.100 0.00 0.00 P H +ATOM 118 C LEU 6 -7.133 -22.918 0.670 0.00 0.00 P C +ATOM 119 O LEU 6 -6.923 -22.498 1.760 0.00 0.00 P O +ATOM 120 N LYS 7 -6.133 -23.218 -0.190 0.00 0.00 P N +ATOM 121 HN LYS 7 -6.443 -23.408 -1.110 0.00 0.00 P H +ATOM 122 CA LYS 7 -4.713 -23.488 0.130 0.00 0.00 P C +ATOM 123 HA LYS 7 -4.753 -24.418 0.670 0.00 0.00 P H +ATOM 124 CB LYS 7 -4.003 -23.678 -1.230 0.00 0.00 P C +ATOM 125 HB1 LYS 7 -3.003 -24.118 -1.040 0.00 0.00 P H +ATOM 126 HB2 LYS 7 -4.493 -24.608 -1.590 0.00 0.00 P H +ATOM 127 CG LYS 7 -3.963 -22.598 -2.240 0.00 0.00 P C +ATOM 128 HG1 LYS 7 -3.283 -22.998 -3.030 0.00 0.00 P H +ATOM 129 HG2 LYS 7 -4.933 -22.428 -2.750 0.00 0.00 P H +ATOM 130 CD LYS 7 -3.443 -21.138 -1.760 0.00 0.00 P C +ATOM 131 HD1 LYS 7 -4.413 -20.748 -1.390 0.00 0.00 P H +ATOM 132 HD2 LYS 7 -2.763 -21.008 -0.890 0.00 0.00 P H +ATOM 133 CE LYS 7 -2.763 -20.268 -2.870 0.00 0.00 P C +ATOM 134 HE1 LYS 7 -3.433 -20.248 -3.750 0.00 0.00 P H +ATOM 135 HE2 LYS 7 -2.633 -19.238 -2.470 0.00 0.00 P H +ATOM 136 NZ LYS 7 -1.443 -20.738 -3.290 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 -1.583 -21.438 -4.050 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 -0.943 -19.948 -3.750 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 -0.983 -21.098 -2.440 0.00 0.00 P H +ATOM 140 C LYS 7 -3.883 -22.588 1.100 0.00 0.00 P C +ATOM 141 O LYS 7 -4.253 -21.468 1.190 0.00 0.00 P O +ATOM 142 N ASP 8 -2.883 -23.078 1.790 0.00 0.00 P N +ATOM 143 HN ASP 8 -2.853 -24.068 1.920 0.00 0.00 P H +ATOM 144 CA ASP 8 -1.803 -22.328 2.390 0.00 0.00 P C +ATOM 145 HA ASP 8 -0.983 -23.028 2.500 0.00 0.00 P H +ATOM 146 CB ASP 8 -1.243 -21.108 1.640 0.00 0.00 P C +ATOM 147 HB1 ASP 8 -1.273 -21.578 0.630 0.00 0.00 P H +ATOM 148 HB2 ASP 8 -1.993 -20.288 1.620 0.00 0.00 P H +ATOM 149 CG ASP 8 0.097 -20.618 2.010 0.00 0.00 P C +ATOM 150 OD1 ASP 8 0.837 -21.318 2.820 0.00 0.00 P O +ATOM 151 OD2 ASP 8 0.467 -19.468 1.560 0.00 0.00 P O +ATOM 152 C ASP 8 -2.163 -21.788 3.830 0.00 0.00 P C +ATOM 153 O ASP 8 -3.313 -21.538 4.120 0.00 0.00 P O +ATOM 154 N VAL 9 -1.213 -21.638 4.800 0.00 0.00 P N +ATOM 155 HN VAL 9 -0.243 -21.628 4.570 0.00 0.00 P H +ATOM 156 CA VAL 9 -1.483 -21.038 6.130 0.00 0.00 P C +ATOM 157 HA VAL 9 -2.453 -21.308 6.510 0.00 0.00 P H +ATOM 158 CB VAL 9 -0.483 -21.618 7.170 0.00 0.00 P C +ATOM 159 HB VAL 9 -0.153 -21.038 8.050 0.00 0.00 P H +ATOM 160 CG1 VAL 9 -1.143 -22.858 7.670 0.00 0.00 P C +ATOM 161 HG11 VAL 9 -1.363 -23.518 6.800 0.00 0.00 P H +ATOM 162 HG12 VAL 9 -0.483 -23.368 8.400 0.00 0.00 P H +ATOM 163 HG13 VAL 9 -2.113 -22.838 8.210 0.00 0.00 P H +ATOM 164 CG2 VAL 9 0.827 -21.998 6.440 0.00 0.00 P C +ATOM 165 HG21 VAL 9 0.767 -22.738 5.620 0.00 0.00 P H +ATOM 166 HG22 VAL 9 1.317 -21.148 5.930 0.00 0.00 P H +ATOM 167 HG23 VAL 9 1.587 -22.248 7.210 0.00 0.00 P H +ATOM 168 C VAL 9 -1.373 -19.568 6.090 0.00 0.00 P C +ATOM 169 O VAL 9 -0.383 -18.908 6.220 0.00 0.00 P O +ATOM 170 N LYS 10 -2.513 -19.008 5.680 0.00 0.00 P N +ATOM 171 HN LYS 10 -3.273 -19.658 5.610 0.00 0.00 P H +ATOM 172 CA LYS 10 -2.693 -17.678 5.100 0.00 0.00 P C +ATOM 173 HA LYS 10 -1.833 -17.568 4.460 0.00 0.00 P H +ATOM 174 CB LYS 10 -3.983 -17.688 4.220 0.00 0.00 P C +ATOM 175 HB1 LYS 10 -4.743 -18.288 4.770 0.00 0.00 P H +ATOM 176 HB2 LYS 10 -4.353 -16.678 3.940 0.00 0.00 P H +ATOM 177 CG LYS 10 -3.743 -18.228 2.850 0.00 0.00 P C +ATOM 178 HG1 LYS 10 -3.093 -17.498 2.320 0.00 0.00 P H +ATOM 179 HG2 LYS 10 -3.093 -19.128 2.810 0.00 0.00 P H +ATOM 180 CD LYS 10 -5.133 -18.428 2.110 0.00 0.00 P C +ATOM 181 HD1 LYS 10 -5.563 -17.408 2.190 0.00 0.00 P H +ATOM 182 HD2 LYS 10 -4.893 -18.638 1.050 0.00 0.00 P H +ATOM 183 CE LYS 10 -6.223 -19.148 2.750 0.00 0.00 P C +ATOM 184 HE1 LYS 10 -6.803 -18.558 3.480 0.00 0.00 P H +ATOM 185 HE2 LYS 10 -6.863 -19.198 1.840 0.00 0.00 P H +ATOM 186 NZ LYS 10 -5.783 -20.388 3.350 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 -5.183 -20.188 4.180 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 -6.653 -20.828 3.730 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 -5.453 -20.798 2.450 0.00 0.00 P H +ATOM 190 C LYS 10 -2.883 -16.658 6.220 0.00 0.00 P C +ATOM 191 O LYS 10 -3.603 -16.828 7.230 0.00 0.00 P O +ATOM 192 N GLY 11 -2.163 -15.538 6.090 0.00 0.00 P N +ATOM 193 HN GLY 11 -1.423 -15.608 5.420 0.00 0.00 P H +ATOM 194 CA GLY 11 -2.193 -14.418 6.980 0.00 0.00 P C +ATOM 195 HA1 GLY 11 -2.663 -14.618 7.930 0.00 0.00 P H +ATOM 196 HA2 GLY 11 -1.143 -14.178 7.110 0.00 0.00 P H +ATOM 197 C GLY 11 -3.023 -13.328 6.400 0.00 0.00 P C +ATOM 198 O GLY 11 -3.593 -13.378 5.210 0.00 0.00 P O +ATOM 199 N MET 12 -3.093 -12.218 7.120 0.00 0.00 P N +ATOM 200 HN MET 12 -2.593 -12.128 7.970 0.00 0.00 P H +ATOM 201 CA MET 12 -3.853 -11.098 6.840 0.00 0.00 P C +ATOM 202 HA MET 12 -4.853 -11.498 6.750 0.00 0.00 P H +ATOM 203 CB MET 12 -4.003 -10.118 8.000 0.00 0.00 P C +ATOM 204 HB1 MET 12 -3.033 -9.688 8.320 0.00 0.00 P H +ATOM 205 HB2 MET 12 -4.493 -9.218 7.570 0.00 0.00 P H +ATOM 206 CG MET 12 -4.813 -10.878 9.100 0.00 0.00 P C +ATOM 207 HG1 MET 12 -4.223 -11.678 9.590 0.00 0.00 P H +ATOM 208 HG2 MET 12 -4.933 -10.038 9.820 0.00 0.00 P H +ATOM 209 SD MET 12 -6.573 -11.468 8.640 0.00 0.00 P S +ATOM 210 CE MET 12 -6.313 -13.168 9.070 0.00 0.00 P C +ATOM 211 HE1 MET 12 -5.693 -13.268 9.990 0.00 0.00 P H +ATOM 212 HE2 MET 12 -7.133 -13.788 9.490 0.00 0.00 P H +ATOM 213 HE3 MET 12 -5.543 -13.568 8.380 0.00 0.00 P H +ATOM 214 C MET 12 -3.363 -10.188 5.740 0.00 0.00 P C +ATOM 215 O MET 12 -4.113 -9.558 5.080 0.00 0.00 P O +ATOM 216 N GLY 13 -1.973 -10.188 5.490 0.00 0.00 P N +ATOM 217 HN GLY 13 -1.363 -10.728 6.070 0.00 0.00 P H +ATOM 218 CA GLY 13 -1.263 -9.238 4.760 0.00 0.00 P C +ATOM 219 HA1 GLY 13 -0.213 -9.508 4.780 0.00 0.00 P H +ATOM 220 HA2 GLY 13 -1.773 -9.368 3.820 0.00 0.00 P H +ATOM 221 C GLY 13 -1.443 -7.738 5.070 0.00 0.00 P C +ATOM 222 O GLY 13 -2.173 -7.268 5.950 0.00 0.00 P O +ATOM 223 N LYS 14 -0.783 -6.868 4.150 0.00 0.00 P N +ATOM 224 HN LYS 14 -0.793 -7.248 3.230 0.00 0.00 P H +ATOM 225 CA LYS 14 -0.543 -5.438 4.240 0.00 0.00 P C +ATOM 226 HA LYS 14 0.017 -5.098 3.380 0.00 0.00 P H +ATOM 227 CB LYS 14 -1.773 -4.698 4.410 0.00 0.00 P C +ATOM 228 HB1 LYS 14 -2.503 -4.858 3.600 0.00 0.00 P H +ATOM 229 HB2 LYS 14 -2.363 -4.998 5.300 0.00 0.00 P H +ATOM 230 CG LYS 14 -1.523 -3.248 4.670 0.00 0.00 P C +ATOM 231 HG1 LYS 14 -2.433 -2.698 5.010 0.00 0.00 P H +ATOM 232 HG2 LYS 14 -0.803 -2.968 5.470 0.00 0.00 P H +ATOM 233 CD LYS 14 -1.163 -2.388 3.410 0.00 0.00 P C +ATOM 234 HD1 LYS 14 -0.053 -2.418 3.360 0.00 0.00 P H +ATOM 235 HD2 LYS 14 -1.493 -2.988 2.530 0.00 0.00 P H +ATOM 236 CE LYS 14 -1.943 -1.088 3.480 0.00 0.00 P C +ATOM 237 HE1 LYS 14 -3.003 -1.188 3.810 0.00 0.00 P H +ATOM 238 HE2 LYS 14 -1.523 -0.628 4.410 0.00 0.00 P H +ATOM 239 NZ LYS 14 -1.773 -0.258 2.390 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 -1.913 0.752 2.610 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 -0.873 -0.428 1.890 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 -2.563 -0.458 1.740 0.00 0.00 P H +ATOM 243 C LYS 14 0.437 -5.108 5.330 0.00 0.00 P C +ATOM 244 O LYS 14 0.217 -5.368 6.480 0.00 0.00 P O +ATOM 245 N LYS 15 1.577 -4.478 5.070 0.00 0.00 P N +ATOM 246 HN LYS 15 1.867 -4.178 4.170 0.00 0.00 P H +ATOM 247 CA LYS 15 2.357 -3.778 6.190 0.00 0.00 P C +ATOM 248 HA LYS 15 2.437 -4.498 6.990 0.00 0.00 P H +ATOM 249 CB LYS 15 3.777 -3.458 5.700 0.00 0.00 P C +ATOM 250 HB1 LYS 15 3.777 -2.888 4.750 0.00 0.00 P H +ATOM 251 HB2 LYS 15 4.287 -2.848 6.480 0.00 0.00 P H +ATOM 252 CG LYS 15 4.687 -4.638 5.690 0.00 0.00 P C +ATOM 253 HG1 LYS 15 4.787 -5.078 6.710 0.00 0.00 P H +ATOM 254 HG2 LYS 15 4.307 -5.438 5.020 0.00 0.00 P H +ATOM 255 CD LYS 15 6.047 -4.218 5.220 0.00 0.00 P C +ATOM 256 HD1 LYS 15 6.047 -3.908 4.150 0.00 0.00 P H +ATOM 257 HD2 LYS 15 6.557 -3.428 5.820 0.00 0.00 P H +ATOM 258 CE LYS 15 7.117 -5.328 5.330 0.00 0.00 P C +ATOM 259 HE1 LYS 15 8.057 -4.768 5.160 0.00 0.00 P H +ATOM 260 HE2 LYS 15 7.097 -5.578 6.410 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.867 -6.438 4.420 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 6.827 -6.198 3.410 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.627 -7.108 4.650 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.967 -6.898 4.680 0.00 0.00 P H +ATOM 265 C LYS 15 1.647 -2.558 6.870 0.00 0.00 P C +ATOM 266 O LYS 15 1.147 -1.728 6.090 0.00 0.00 P O +ATOM 267 N GLY 16 1.667 -2.328 8.200 0.00 0.00 P N +ATOM 268 HN GLY 16 2.487 -2.658 8.670 0.00 0.00 P H +ATOM 269 CA GLY 16 0.987 -1.278 8.720 0.00 0.00 P C +ATOM 270 HA1 GLY 16 -0.083 -1.248 8.570 0.00 0.00 P H +ATOM 271 HA2 GLY 16 1.287 -1.238 9.750 0.00 0.00 P H +ATOM 272 C GLY 16 1.527 0.152 8.300 0.00 0.00 P C +ATOM 273 O GLY 16 2.717 0.382 8.200 0.00 0.00 P O +ATOM 274 N GLU 17 0.577 1.142 7.990 0.00 0.00 P N +ATOM 275 HN GLU 17 -0.373 0.852 8.090 0.00 0.00 P H +ATOM 276 CA GLU 17 0.877 2.462 7.500 0.00 0.00 P C +ATOM 277 HA GLU 17 1.767 2.532 6.890 0.00 0.00 P H +ATOM 278 CB GLU 17 -0.203 2.782 6.480 0.00 0.00 P C +ATOM 279 HB1 GLU 17 -1.233 2.412 6.690 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.233 3.882 6.310 0.00 0.00 P H +ATOM 281 CG GLU 17 0.357 2.062 5.040 0.00 0.00 P C +ATOM 282 HG1 GLU 17 1.407 2.432 5.010 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.237 0.962 5.040 0.00 0.00 P H +ATOM 284 CD GLU 17 -0.313 2.692 3.790 0.00 0.00 P C +ATOM 285 OE1 GLU 17 0.257 3.722 3.360 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.363 2.222 3.310 0.00 0.00 P O +ATOM 287 C GLU 17 0.957 3.472 8.670 0.00 0.00 P C +ATOM 288 O GLU 17 0.507 3.172 9.730 0.00 0.00 P O +ATOM 289 N ILE 18 1.617 4.662 8.350 0.00 0.00 P N +ATOM 290 HN ILE 18 2.167 4.782 7.530 0.00 0.00 P H +ATOM 291 CA ILE 18 1.497 5.882 9.120 0.00 0.00 P C +ATOM 292 HA ILE 18 0.667 5.732 9.800 0.00 0.00 P H +ATOM 293 CB ILE 18 2.617 6.222 10.220 0.00 0.00 P C +ATOM 294 HB ILE 18 2.577 5.432 11.000 0.00 0.00 P H +ATOM 295 CG2 ILE 18 4.087 6.292 9.650 0.00 0.00 P C +ATOM 296 HG21 ILE 18 4.837 6.712 10.350 0.00 0.00 P H +ATOM 297 HG22 ILE 18 4.317 5.232 9.430 0.00 0.00 P H +ATOM 298 HG23 ILE 18 4.087 6.812 8.670 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.307 7.612 10.890 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.037 7.522 11.720 0.00 0.00 P H +ATOM 301 HG12 ILE 18 2.667 8.332 10.120 0.00 0.00 P H +ATOM 302 CD ILE 18 0.927 7.702 11.530 0.00 0.00 P C +ATOM 303 HD1 ILE 18 0.847 6.852 12.230 0.00 0.00 P H +ATOM 304 HD2 ILE 18 0.837 8.632 12.130 0.00 0.00 P H +ATOM 305 HD3 ILE 18 0.077 7.712 10.810 0.00 0.00 P H +ATOM 306 C ILE 18 1.227 6.882 8.110 0.00 0.00 P C +ATOM 307 O ILE 18 1.887 6.912 7.090 0.00 0.00 P O +ATOM 308 N LYS 19 0.127 7.622 8.320 0.00 0.00 P N +ATOM 309 HN LYS 19 -0.253 7.712 9.240 0.00 0.00 P H +ATOM 310 CA LYS 19 -0.273 8.572 7.350 0.00 0.00 P C +ATOM 311 HA LYS 19 0.257 8.492 6.410 0.00 0.00 P H +ATOM 312 CB LYS 19 -1.753 8.632 7.040 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.303 8.582 8.010 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -2.153 9.562 6.600 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.113 7.502 6.100 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.803 6.532 6.550 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -3.223 7.472 6.110 0.00 0.00 P H +ATOM 318 CD LYS 19 -1.683 7.282 4.570 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -1.833 8.272 4.110 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -0.633 6.942 4.700 0.00 0.00 P H +ATOM 321 CE LYS 19 -2.453 6.272 3.840 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -2.953 5.502 4.460 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -3.293 6.872 3.420 0.00 0.00 P H +ATOM 324 NZ LYS 19 -1.613 5.832 2.620 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -2.183 5.782 1.750 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -0.813 6.492 2.560 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -1.303 4.902 2.960 0.00 0.00 P H +ATOM 328 C LYS 19 0.307 9.912 7.730 0.00 0.00 P C +ATOM 329 O LYS 19 0.747 10.262 8.800 0.00 0.00 P O +ATOM 330 N ASN 20 0.447 10.892 6.690 0.00 0.00 P N +ATOM 331 HN ASN 20 0.327 10.602 5.740 0.00 0.00 P H +ATOM 332 CA ASN 20 0.647 12.322 7.040 0.00 0.00 P C +ATOM 333 HA ASN 20 0.427 12.972 6.210 0.00 0.00 P H +ATOM 334 CB ASN 20 -0.213 13.112 8.160 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -0.133 12.612 9.150 0.00 0.00 P H +ATOM 336 HB2 ASN 20 0.207 14.142 8.190 0.00 0.00 P H +ATOM 337 CG ASN 20 -1.663 12.992 7.820 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -2.123 11.872 7.590 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -2.483 14.092 7.890 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -3.323 14.112 7.360 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -2.243 15.022 8.160 0.00 0.00 P H +ATOM 342 C ASN 20 2.117 12.632 7.130 0.00 0.00 P C +ATOM 343 O ASN 20 2.437 13.772 6.890 0.00 0.00 P O +ATOM 344 N VAL 21 3.017 11.722 7.560 0.00 0.00 P N +ATOM 345 HN VAL 21 2.717 10.802 7.810 0.00 0.00 P H +ATOM 346 CA VAL 21 4.477 12.032 7.850 0.00 0.00 P C +ATOM 347 HA VAL 21 4.517 13.092 8.080 0.00 0.00 P H +ATOM 348 CB VAL 21 4.997 11.302 9.030 0.00 0.00 P C +ATOM 349 HB VAL 21 5.487 10.322 8.870 0.00 0.00 P H +ATOM 350 CG1 VAL 21 6.117 12.132 9.580 0.00 0.00 P C +ATOM 351 HG11 VAL 21 6.837 12.352 8.760 0.00 0.00 P H +ATOM 352 HG12 VAL 21 5.777 13.132 9.920 0.00 0.00 P H +ATOM 353 HG13 VAL 21 6.577 11.602 10.440 0.00 0.00 P H +ATOM 354 CG2 VAL 21 3.997 10.932 10.150 0.00 0.00 P C +ATOM 355 HG21 VAL 21 3.597 11.842 10.650 0.00 0.00 P H +ATOM 356 HG22 VAL 21 3.207 10.362 9.630 0.00 0.00 P H +ATOM 357 HG23 VAL 21 4.277 10.282 11.010 0.00 0.00 P H +ATOM 358 C VAL 21 5.367 12.032 6.620 0.00 0.00 P C +ATOM 359 O VAL 21 6.037 12.932 6.290 0.00 0.00 P O +ATOM 360 N ALA 22 5.397 10.852 5.910 0.00 0.00 P N +ATOM 361 HN ALA 22 4.747 10.092 5.930 0.00 0.00 P H +ATOM 362 CA ALA 22 6.597 10.602 5.000 0.00 0.00 P C +ATOM 363 HA ALA 22 7.387 11.332 5.120 0.00 0.00 P H +ATOM 364 CB ALA 22 7.287 9.372 5.460 0.00 0.00 P C +ATOM 365 HB1 ALA 22 6.467 8.632 5.340 0.00 0.00 P H +ATOM 366 HB2 ALA 22 8.147 9.222 4.770 0.00 0.00 P H +ATOM 367 HB3 ALA 22 7.617 9.372 6.520 0.00 0.00 P H +ATOM 368 C ALA 22 5.937 10.662 3.560 0.00 0.00 P C +ATOM 369 O ALA 22 6.587 10.402 2.580 0.00 0.00 P O +ATOM 370 N ASP 23 4.607 10.972 3.510 0.00 0.00 P N +ATOM 371 HN ASP 23 4.077 10.922 4.350 0.00 0.00 P H +ATOM 372 CA ASP 23 3.897 11.202 2.320 0.00 0.00 P C +ATOM 373 HA ASP 23 3.887 10.262 1.790 0.00 0.00 P H +ATOM 374 CB ASP 23 2.317 11.372 2.550 0.00 0.00 P C +ATOM 375 HB1 ASP 23 1.997 12.122 3.300 0.00 0.00 P H +ATOM 376 HB2 ASP 23 1.837 11.692 1.600 0.00 0.00 P H +ATOM 377 CG ASP 23 1.597 10.152 3.000 0.00 0.00 P C +ATOM 378 OD1 ASP 23 2.177 9.112 2.730 0.00 0.00 P O +ATOM 379 OD2 ASP 23 0.467 10.112 3.550 0.00 0.00 P O +ATOM 380 C ASP 23 4.487 12.302 1.390 0.00 0.00 P C +ATOM 381 O ASP 23 4.487 13.422 1.750 0.00 0.00 P O +ATOM 382 N GLY 24 5.147 11.962 0.190 0.00 0.00 P N +ATOM 383 HN GLY 24 5.417 11.042 -0.090 0.00 0.00 P H +ATOM 384 CA GLY 24 5.767 12.892 -0.750 0.00 0.00 P C +ATOM 385 HA1 GLY 24 6.647 13.312 -0.290 0.00 0.00 P H +ATOM 386 HA2 GLY 24 5.827 12.472 -1.750 0.00 0.00 P H +ATOM 387 C GLY 24 5.017 14.082 -1.130 0.00 0.00 P C +ATOM 388 O GLY 24 5.547 15.212 -0.990 0.00 0.00 P O +ATOM 389 N TYR 25 3.647 13.952 -1.420 0.00 0.00 P N +ATOM 390 HN TYR 25 3.157 13.082 -1.410 0.00 0.00 P H +ATOM 391 CA TYR 25 2.937 15.212 -1.910 0.00 0.00 P C +ATOM 392 HA TYR 25 3.687 15.632 -2.560 0.00 0.00 P H +ATOM 393 CB TYR 25 1.667 14.562 -2.590 0.00 0.00 P C +ATOM 394 HB1 TYR 25 1.107 14.012 -1.800 0.00 0.00 P H +ATOM 395 HB2 TYR 25 0.997 15.412 -2.850 0.00 0.00 P H +ATOM 396 CG TYR 25 1.817 13.852 -3.960 0.00 0.00 P C +ATOM 397 CD1 TYR 25 0.727 13.122 -4.480 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -0.183 13.182 -3.890 0.00 0.00 P H +ATOM 399 CE1 TYR 25 0.877 12.342 -5.650 0.00 0.00 P C +ATOM 400 HE1 TYR 25 0.077 11.722 -6.050 0.00 0.00 P H +ATOM 401 CZ TYR 25 2.117 12.222 -6.230 0.00 0.00 P C +ATOM 402 OH TYR 25 2.277 11.352 -7.280 0.00 0.00 P O +ATOM 403 HH TYR 25 3.097 11.442 -7.770 0.00 0.00 P H +ATOM 404 CD2 TYR 25 2.977 13.832 -4.750 0.00 0.00 P C +ATOM 405 HD2 TYR 25 3.777 14.442 -4.380 0.00 0.00 P H +ATOM 406 CE2 TYR 25 3.187 13.062 -5.860 0.00 0.00 P C +ATOM 407 HE2 TYR 25 4.187 13.192 -6.240 0.00 0.00 P H +ATOM 408 C TYR 25 2.537 16.152 -0.710 0.00 0.00 P C +ATOM 409 O TYR 25 2.347 17.352 -0.850 0.00 0.00 P O +ATOM 410 N ALA 26 2.407 15.622 0.530 0.00 0.00 P N +ATOM 411 HN ALA 26 2.777 14.712 0.710 0.00 0.00 P H +ATOM 412 CA ALA 26 2.277 16.502 1.710 0.00 0.00 P C +ATOM 413 HA ALA 26 1.717 17.392 1.440 0.00 0.00 P H +ATOM 414 CB ALA 26 1.377 15.802 2.700 0.00 0.00 P C +ATOM 415 HB1 ALA 26 0.337 15.662 2.360 0.00 0.00 P H +ATOM 416 HB2 ALA 26 1.747 14.892 3.210 0.00 0.00 P H +ATOM 417 HB3 ALA 26 1.077 16.462 3.540 0.00 0.00 P H +ATOM 418 C ALA 26 3.507 17.042 2.380 0.00 0.00 P C +ATOM 419 O ALA 26 3.527 18.022 3.060 0.00 0.00 P O +ATOM 420 N ASN 27 4.667 16.332 2.130 0.00 0.00 P N +ATOM 421 HN ASN 27 4.497 15.492 1.620 0.00 0.00 P H +ATOM 422 CA ASN 27 5.977 16.632 2.430 0.00 0.00 P C +ATOM 423 HA ASN 27 5.947 17.082 3.410 0.00 0.00 P H +ATOM 424 CB ASN 27 6.777 15.322 2.530 0.00 0.00 P C +ATOM 425 HB1 ASN 27 6.427 14.592 3.290 0.00 0.00 P H +ATOM 426 HB2 ASN 27 6.657 14.712 1.610 0.00 0.00 P H +ATOM 427 CG ASN 27 8.237 15.452 2.720 0.00 0.00 P C +ATOM 428 OD1 ASN 27 9.027 14.612 2.320 0.00 0.00 P O +ATOM 429 ND2 ASN 27 8.727 16.482 3.520 0.00 0.00 P N +ATOM 430 HD21 ASN 27 8.137 17.142 3.990 0.00 0.00 P H +ATOM 431 HD22 ASN 27 9.727 16.482 3.510 0.00 0.00 P H +ATOM 432 C ASN 27 6.427 17.682 1.460 0.00 0.00 P C +ATOM 433 O ASN 27 7.317 18.392 1.750 0.00 0.00 P O +ATOM 434 N ASN 28 5.717 17.742 0.290 0.00 0.00 P N +ATOM 435 HN ASN 28 4.957 17.102 0.190 0.00 0.00 P H +ATOM 436 CA ASN 28 5.847 18.742 -0.700 0.00 0.00 P C +ATOM 437 HA ASN 28 4.987 18.602 -1.340 0.00 0.00 P H +ATOM 438 CB ASN 28 5.847 20.302 -0.440 0.00 0.00 P C +ATOM 439 HB1 ASN 28 6.717 20.482 0.220 0.00 0.00 P H +ATOM 440 HB2 ASN 28 5.867 20.832 -1.420 0.00 0.00 P H +ATOM 441 CG ASN 28 4.627 20.892 0.280 0.00 0.00 P C +ATOM 442 OD1 ASN 28 3.607 21.272 -0.330 0.00 0.00 P O +ATOM 443 ND2 ASN 28 4.707 21.152 1.580 0.00 0.00 P N +ATOM 444 HD21 ASN 28 4.047 21.832 1.910 0.00 0.00 P H +ATOM 445 HD22 ASN 28 5.547 21.062 2.110 0.00 0.00 P H +ATOM 446 C ASN 28 7.027 18.332 -1.580 0.00 0.00 P C +ATOM 447 O ASN 28 7.597 19.132 -2.200 0.00 0.00 P O +ATOM 448 N PHE 29 7.447 17.082 -1.730 0.00 0.00 P N +ATOM 449 HN PHE 29 6.847 16.402 -1.310 0.00 0.00 P H +ATOM 450 CA PHE 29 8.727 16.592 -2.200 0.00 0.00 P C +ATOM 451 HA PHE 29 9.407 17.272 -2.690 0.00 0.00 P H +ATOM 452 CB PHE 29 9.477 16.202 -0.910 0.00 0.00 P C +ATOM 453 HB1 PHE 29 8.777 16.072 -0.060 0.00 0.00 P H +ATOM 454 HB2 PHE 29 10.007 15.232 -0.990 0.00 0.00 P H +ATOM 455 CG PHE 29 10.447 17.212 -0.380 0.00 0.00 P C +ATOM 456 CD1 PHE 29 10.267 18.512 0.180 0.00 0.00 P C +ATOM 457 HD1 PHE 29 9.237 18.832 0.130 0.00 0.00 P H +ATOM 458 CE1 PHE 29 11.247 19.372 0.700 0.00 0.00 P C +ATOM 459 HE1 PHE 29 11.087 20.322 1.180 0.00 0.00 P H +ATOM 460 CZ PHE 29 12.537 18.892 0.630 0.00 0.00 P C +ATOM 461 HZ PHE 29 13.237 19.542 1.130 0.00 0.00 P H +ATOM 462 CD2 PHE 29 11.837 16.862 -0.470 0.00 0.00 P C +ATOM 463 HD2 PHE 29 12.137 15.932 -0.920 0.00 0.00 P H +ATOM 464 CE2 PHE 29 12.857 17.632 0.180 0.00 0.00 P C +ATOM 465 HE2 PHE 29 13.847 17.202 0.110 0.00 0.00 P H +ATOM 466 C PHE 29 8.757 15.412 -3.140 0.00 0.00 P C +ATOM 467 O PHE 29 8.267 14.362 -2.900 0.00 0.00 P O +ATOM 468 N LEU 30 9.457 15.642 -4.360 0.00 0.00 P N +ATOM 469 HN LEU 30 9.967 16.482 -4.480 0.00 0.00 P H +ATOM 470 CA LEU 30 9.277 14.812 -5.500 0.00 0.00 P C +ATOM 471 HA LEU 30 9.787 15.342 -6.290 0.00 0.00 P H +ATOM 472 CB LEU 30 9.907 13.332 -5.530 0.00 0.00 P C +ATOM 473 HB1 LEU 30 9.267 12.772 -4.820 0.00 0.00 P H +ATOM 474 HB2 LEU 30 9.757 12.892 -6.540 0.00 0.00 P H +ATOM 475 CG LEU 30 11.417 13.032 -5.080 0.00 0.00 P C +ATOM 476 HG LEU 30 11.457 13.352 -4.020 0.00 0.00 P H +ATOM 477 CD1 LEU 30 11.777 11.592 -5.060 0.00 0.00 P C +ATOM 478 HD11 LEU 30 11.607 11.032 -6.000 0.00 0.00 P H +ATOM 479 HD12 LEU 30 12.867 11.602 -4.890 0.00 0.00 P H +ATOM 480 HD13 LEU 30 11.197 10.962 -4.340 0.00 0.00 P H +ATOM 481 CD2 LEU 30 12.197 13.972 -5.900 0.00 0.00 P C +ATOM 482 HD21 LEU 30 11.897 13.712 -6.940 0.00 0.00 P H +ATOM 483 HD22 LEU 30 12.037 15.022 -5.570 0.00 0.00 P H +ATOM 484 HD23 LEU 30 13.287 13.902 -5.680 0.00 0.00 P H +ATOM 485 C LEU 30 7.857 14.882 -6.130 0.00 0.00 P C +ATOM 486 O LEU 30 7.307 14.012 -6.790 0.00 0.00 P O +ATOM 487 N PHE 31 7.307 16.052 -5.930 0.00 0.00 P N +ATOM 488 HN PHE 31 7.807 16.802 -5.510 0.00 0.00 P H +ATOM 489 CA PHE 31 6.047 16.562 -6.540 0.00 0.00 P C +ATOM 490 HA PHE 31 5.417 15.692 -6.660 0.00 0.00 P H +ATOM 491 CB PHE 31 5.517 17.842 -5.670 0.00 0.00 P C +ATOM 492 HB1 PHE 31 5.497 17.582 -4.590 0.00 0.00 P H +ATOM 493 HB2 PHE 31 6.197 18.712 -5.750 0.00 0.00 P H +ATOM 494 CG PHE 31 4.137 18.412 -5.990 0.00 0.00 P C +ATOM 495 CD1 PHE 31 2.897 17.762 -5.690 0.00 0.00 P C +ATOM 496 HD1 PHE 31 3.077 16.772 -5.280 0.00 0.00 P H +ATOM 497 CE1 PHE 31 1.657 18.292 -5.960 0.00 0.00 P C +ATOM 498 HE1 PHE 31 0.737 17.742 -5.860 0.00 0.00 P H +ATOM 499 CZ PHE 31 1.627 19.662 -6.350 0.00 0.00 P C +ATOM 500 HZ PHE 31 0.707 20.162 -6.640 0.00 0.00 P H +ATOM 501 CD2 PHE 31 4.087 19.652 -6.680 0.00 0.00 P C +ATOM 502 HD2 PHE 31 4.947 20.282 -6.830 0.00 0.00 P H +ATOM 503 CE2 PHE 31 2.767 20.332 -6.680 0.00 0.00 P C +ATOM 504 HE2 PHE 31 2.717 21.382 -6.930 0.00 0.00 P H +ATOM 505 C PHE 31 6.297 16.982 -7.990 0.00 0.00 P C +ATOM 506 O PHE 31 7.337 17.702 -8.210 0.00 0.00 P O +ATOM 507 N LYS 32 5.657 16.352 -8.910 0.00 0.00 P N +ATOM 508 HN LYS 32 5.287 15.462 -8.630 0.00 0.00 P H +ATOM 509 CA LYS 32 6.037 16.442 -10.240 0.00 0.00 P C +ATOM 510 HA LYS 32 7.037 16.842 -10.290 0.00 0.00 P H +ATOM 511 CB LYS 32 5.937 15.172 -11.000 0.00 0.00 P C +ATOM 512 HB1 LYS 32 4.897 14.792 -11.100 0.00 0.00 P H +ATOM 513 HB2 LYS 32 6.207 15.392 -12.050 0.00 0.00 P H +ATOM 514 CG LYS 32 6.957 14.212 -10.420 0.00 0.00 P C +ATOM 515 HG1 LYS 32 8.027 14.482 -10.540 0.00 0.00 P H +ATOM 516 HG2 LYS 32 6.947 14.132 -9.310 0.00 0.00 P H +ATOM 517 CD LYS 32 7.037 12.772 -10.950 0.00 0.00 P C +ATOM 518 HD1 LYS 32 6.307 12.022 -10.580 0.00 0.00 P H +ATOM 519 HD2 LYS 32 6.767 12.762 -12.030 0.00 0.00 P H +ATOM 520 CE LYS 32 8.407 12.142 -10.790 0.00 0.00 P C +ATOM 521 HE1 LYS 32 8.997 12.642 -11.590 0.00 0.00 P H +ATOM 522 HE2 LYS 32 8.917 12.322 -9.820 0.00 0.00 P H +ATOM 523 NZ LYS 32 8.407 10.662 -10.950 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 7.517 10.392 -10.470 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 8.307 10.472 -11.960 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 9.327 10.312 -10.620 0.00 0.00 P H +ATOM 527 C LYS 32 5.367 17.542 -10.990 0.00 0.00 P C +ATOM 528 O LYS 32 4.277 18.062 -10.610 0.00 0.00 P O +ATOM 529 N GLN 33 5.917 18.122 -12.140 0.00 0.00 P N +ATOM 530 HN GLN 33 6.797 17.812 -12.470 0.00 0.00 P H +ATOM 531 CA GLN 33 5.337 19.222 -12.750 0.00 0.00 P C +ATOM 532 HA GLN 33 4.847 19.822 -12.000 0.00 0.00 P H +ATOM 533 CB GLN 33 6.357 20.192 -13.400 0.00 0.00 P C +ATOM 534 HB1 GLN 33 6.497 19.912 -14.470 0.00 0.00 P H +ATOM 535 HB2 GLN 33 5.767 21.102 -13.630 0.00 0.00 P H +ATOM 536 CG GLN 33 7.557 20.602 -12.500 0.00 0.00 P C +ATOM 537 HG1 GLN 33 8.287 19.892 -12.940 0.00 0.00 P H +ATOM 538 HG2 GLN 33 7.977 21.572 -12.830 0.00 0.00 P H +ATOM 539 CD GLN 33 7.447 20.522 -10.980 0.00 0.00 P C +ATOM 540 OE1 GLN 33 6.587 21.102 -10.340 0.00 0.00 P O +ATOM 541 NE2 GLN 33 8.397 19.802 -10.350 0.00 0.00 P N +ATOM 542 HE21 GLN 33 9.077 19.352 -10.930 0.00 0.00 P H +ATOM 543 HE22 GLN 33 8.297 19.982 -9.370 0.00 0.00 P H +ATOM 544 C GLN 33 4.377 18.882 -13.880 0.00 0.00 P C +ATOM 545 O GLN 33 4.677 18.392 -14.980 0.00 0.00 P O +ATOM 546 N GLY 34 3.067 19.262 -13.680 0.00 0.00 P N +ATOM 547 HN GLY 34 2.767 19.602 -12.790 0.00 0.00 P H +ATOM 548 CA GLY 34 2.017 19.122 -14.730 0.00 0.00 P C +ATOM 549 HA1 GLY 34 2.517 18.762 -15.610 0.00 0.00 P H +ATOM 550 HA2 GLY 34 1.117 18.592 -14.470 0.00 0.00 P H +ATOM 551 C GLY 34 1.517 20.512 -15.140 0.00 0.00 P C +ATOM 552 O GLY 34 2.017 21.542 -14.850 0.00 0.00 P O +ATOM 553 N LEU 35 0.557 20.552 -16.200 0.00 0.00 P N +ATOM 554 HN LEU 35 0.157 19.732 -16.600 0.00 0.00 P H +ATOM 555 CA LEU 35 0.047 21.792 -16.700 0.00 0.00 P C +ATOM 556 HA LEU 35 0.957 22.332 -16.870 0.00 0.00 P H +ATOM 557 CB LEU 35 -0.503 21.502 -18.160 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -0.843 20.442 -18.240 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -1.403 22.152 -18.260 0.00 0.00 P H +ATOM 560 CG LEU 35 0.397 21.882 -19.360 0.00 0.00 P C +ATOM 561 HG LEU 35 1.437 21.502 -19.220 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -0.133 21.322 -20.590 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -1.213 21.542 -20.550 0.00 0.00 P H +ATOM 564 HD12 LEU 35 0.347 21.842 -21.450 0.00 0.00 P H +ATOM 565 HD13 LEU 35 0.127 20.242 -20.690 0.00 0.00 P H +ATOM 566 CD2 LEU 35 0.527 23.462 -19.650 0.00 0.00 P C +ATOM 567 HD21 LEU 35 1.287 23.672 -20.440 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -0.493 23.752 -19.970 0.00 0.00 P H +ATOM 569 HD23 LEU 35 0.717 24.172 -18.820 0.00 0.00 P H +ATOM 570 C LEU 35 -0.783 22.662 -15.940 0.00 0.00 P C +ATOM 571 O LEU 35 -1.973 22.392 -15.880 0.00 0.00 P O +ATOM 572 N ALA 36 -0.143 23.692 -15.360 0.00 0.00 P N +ATOM 573 HN ALA 36 0.857 23.692 -15.320 0.00 0.00 P H +ATOM 574 CA ALA 36 -0.753 24.812 -14.740 0.00 0.00 P C +ATOM 575 HA ALA 36 0.007 25.562 -14.830 0.00 0.00 P H +ATOM 576 CB ALA 36 -2.093 25.292 -15.440 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -2.933 24.572 -15.440 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -2.473 26.262 -15.040 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -1.883 25.332 -16.530 0.00 0.00 P H +ATOM 580 C ALA 36 -1.013 24.692 -13.190 0.00 0.00 P C +ATOM 581 O ALA 36 -1.753 25.512 -12.600 0.00 0.00 P O +ATOM 582 N ILE 37 -0.403 23.742 -12.580 0.00 0.00 P N +ATOM 583 HN ILE 37 0.297 23.322 -13.150 0.00 0.00 P H +ATOM 584 CA ILE 37 -0.913 23.192 -11.340 0.00 0.00 P C +ATOM 585 HA ILE 37 -1.953 23.472 -11.210 0.00 0.00 P H +ATOM 586 CB ILE 37 -0.643 21.692 -11.310 0.00 0.00 P C +ATOM 587 HB ILE 37 -0.963 21.282 -10.330 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -1.383 21.002 -12.380 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -0.743 20.112 -12.570 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -2.363 20.522 -12.180 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -1.503 21.502 -13.370 0.00 0.00 P H +ATOM 592 CG1 ILE 37 0.927 21.342 -11.420 0.00 0.00 P C +ATOM 593 HG11 ILE 37 1.057 21.132 -12.500 0.00 0.00 P H +ATOM 594 HG12 ILE 37 1.577 22.232 -11.310 0.00 0.00 P H +ATOM 595 CD ILE 37 1.297 20.212 -10.620 0.00 0.00 P C +ATOM 596 HD1 ILE 37 0.937 19.222 -10.980 0.00 0.00 P H +ATOM 597 HD2 ILE 37 2.397 20.032 -10.600 0.00 0.00 P H +ATOM 598 HD3 ILE 37 0.987 20.252 -9.560 0.00 0.00 P H +ATOM 599 C ILE 37 -0.253 23.862 -10.100 0.00 0.00 P C +ATOM 600 O ILE 37 -0.543 23.402 -8.990 0.00 0.00 P O +ATOM 601 N GLU 38 0.607 24.882 -10.230 0.00 0.00 P N +ATOM 602 HN GLU 38 0.827 25.422 -11.040 0.00 0.00 P H +ATOM 603 CA GLU 38 1.107 25.552 -9.030 0.00 0.00 P C +ATOM 604 HA GLU 38 1.827 24.862 -8.630 0.00 0.00 P H +ATOM 605 CB GLU 38 2.037 26.772 -9.430 0.00 0.00 P C +ATOM 606 HB1 GLU 38 1.407 27.372 -10.130 0.00 0.00 P H +ATOM 607 HB2 GLU 38 2.227 27.492 -8.600 0.00 0.00 P H +ATOM 608 CG GLU 38 3.277 26.572 -10.200 0.00 0.00 P C +ATOM 609 HG1 GLU 38 3.857 25.752 -9.720 0.00 0.00 P H +ATOM 610 HG2 GLU 38 3.147 26.262 -11.260 0.00 0.00 P H +ATOM 611 CD GLU 38 4.127 27.762 -10.210 0.00 0.00 P C +ATOM 612 OE1 GLU 38 5.387 27.692 -10.000 0.00 0.00 P O +ATOM 613 OE2 GLU 38 3.567 28.862 -10.470 0.00 0.00 P O +ATOM 614 C GLU 38 0.267 25.862 -7.800 0.00 0.00 P C +ATOM 615 O GLU 38 -0.733 26.522 -7.930 0.00 0.00 P O +ATOM 616 N ALA 39 0.717 25.432 -6.510 0.00 0.00 P N +ATOM 617 HN ALA 39 1.607 25.072 -6.230 0.00 0.00 P H +ATOM 618 CA ALA 39 -0.213 25.642 -5.450 0.00 0.00 P C +ATOM 619 HA ALA 39 -1.243 25.772 -5.740 0.00 0.00 P H +ATOM 620 CB ALA 39 -0.063 24.262 -4.690 0.00 0.00 P C +ATOM 621 HB1 ALA 39 1.017 24.112 -4.480 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -0.583 24.292 -3.710 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -0.313 23.432 -5.380 0.00 0.00 P H +ATOM 624 C ALA 39 0.147 26.812 -4.440 0.00 0.00 P C +ATOM 625 O ALA 39 -0.563 27.042 -3.520 0.00 0.00 P O +ATOM 626 NT ALA 39 1.337 27.472 -4.570 0.00 0.00 P N +ATOM 627 HNT ALA 39 1.927 27.162 -5.310 0.00 0.00 P H +ATOM 628 CAT ALA 39 1.877 28.342 -3.570 0.00 0.00 P C +ATOM 629 HT1 ALA 39 2.077 29.342 -4.010 0.00 0.00 P H +ATOM 630 HT2 ALA 39 1.327 28.252 -2.610 0.00 0.00 P H +ATOM 631 HT3 ALA 39 2.857 27.832 -3.490 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 -3.896 -3.108 -7.335 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 -3.816 -2.238 -7.715 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 -4.796 -3.378 -7.515 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 20.904 5.497 -12.295 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 21.814 5.777 -12.165 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 20.744 4.867 -11.595 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 -13.974 -19.917 -21.468 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 -13.504 -20.717 -21.678 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 -14.884 -20.107 -21.668 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -22.494 9.222 17.819 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -22.424 9.782 17.039 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -21.584 9.092 18.089 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 12.575 9.682 -24.556 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 12.205 8.803 -24.576 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 13.515 9.553 -24.666 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 3.828 12.681 -16.722 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 4.348 13.291 -16.192 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 3.908 13.011 -17.612 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 16.018 10.452 22.406 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 16.088 10.032 23.266 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 16.008 11.392 22.596 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -10.538 -5.971 16.359 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -10.668 -5.021 16.429 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -11.148 -6.341 16.989 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 23.921 -19.008 19.198 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 24.751 -19.388 19.498 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 23.801 -19.368 18.318 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 -13.458 -1.799 -7.664 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 -13.128 -1.009 -7.244 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 -13.038 -1.819 -8.524 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 13.506 -3.667 -18.842 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 13.676 -4.578 -19.072 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 14.316 -3.207 -19.062 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 -25.104 -2.835 -3.100 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 -25.304 -2.305 -2.330 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 -24.494 -3.495 -2.790 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 17.072 -5.640 -13.401 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 17.252 -4.860 -13.941 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 16.632 -5.290 -12.621 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 15.745 -2.259 14.801 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 16.265 -2.899 14.311 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 14.885 -2.269 14.371 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 8.756 -8.727 23.215 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 8.886 -9.597 23.585 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 7.866 -8.487 23.475 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 -2.911 -18.740 -22.645 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 -3.611 -18.130 -22.875 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 -2.621 -19.100 -23.475 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 3.583 1.856 -19.724 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 3.963 1.766 -18.854 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 3.243 0.986 -19.934 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 -20.573 -21.367 -18.364 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 -21.253 -21.457 -19.034 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 -19.753 -21.547 -18.834 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 6.256 -15.564 -19.654 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 6.116 -16.404 -20.094 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 7.186 -15.564 -19.414 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 -7.681 5.907 -9.487 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 -8.291 5.667 -8.787 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 -8.141 5.667 -10.297 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 -16.226 13.866 -21.877 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 -16.856 14.196 -22.517 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 -16.516 12.976 -21.687 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 -3.296 -13.026 13.592 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 -3.586 -13.616 12.892 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 -2.476 -13.406 13.902 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -3.134 -5.815 18.193 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -3.404 -5.055 18.703 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -2.314 -5.555 17.773 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 7.982 -23.220 12.268 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 7.572 -22.370 12.138 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 8.912 -23.030 12.388 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 9.489 -9.824 -1.651 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 9.829 -10.314 -2.391 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 8.979 -9.114 -2.061 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 0.875 12.942 -15.674 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 0.775 13.852 -15.404 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 1.605 12.962 -16.294 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -5.300 10.188 10.764 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -5.219 11.118 10.944 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -4.749 10.038 9.994 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 23.716 -20.080 -17.811 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 23.276 -19.250 -18.001 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 23.906 -20.460 -18.661 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 13.054 -10.378 -21.436 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 12.154 -10.348 -21.126 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 13.094 -11.158 -21.986 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 20.699 22.887 -16.817 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 19.849 22.987 -16.397 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 20.539 22.297 -17.557 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 14.714 9.701 -3.571 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 14.444 10.621 -3.651 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 13.934 9.241 -3.281 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 21.325 20.469 -3.065 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 21.055 19.629 -2.715 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 22.105 20.709 -2.555 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 -5.803 6.454 5.620 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 -5.273 5.664 5.510 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 -6.373 6.464 4.840 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 9.855 6.707 21.989 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 9.725 7.247 22.769 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 9.735 7.307 21.249 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 -8.124 -0.353 23.140 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 -8.024 -0.813 23.970 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 -8.484 0.497 23.380 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -20.511 -25.039 19.992 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -21.451 -24.969 19.822 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -20.101 -24.989 19.132 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 -9.584 -18.779 9.374 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 -9.054 -17.989 9.414 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 -10.414 -18.539 9.784 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 -18.756 -8.928 17.546 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 -18.406 -8.418 16.816 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 -18.156 -8.748 18.276 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 19.692 8.715 0.026 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 20.342 8.025 -0.084 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 19.742 9.215 -0.784 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 -23.199 -24.511 -23.664 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 -23.099 -24.681 -22.724 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 -22.489 -25.001 -24.074 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 16.014 24.168 -18.201 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 15.114 24.228 -18.521 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 16.394 23.428 -18.671 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 5.298 -12.620 -1.522 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 4.788 -13.430 -1.462 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 4.658 -11.920 -1.502 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 3.453 16.060 8.071 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 2.883 15.300 8.041 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 3.683 16.230 7.161 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 -14.043 -8.249 -24.087 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 -14.803 -8.669 -24.477 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 -14.243 -8.229 -23.147 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 12.072 18.200 20.058 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 11.682 17.380 19.748 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 12.602 18.510 19.328 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 -0.207 -21.151 -8.885 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 -1.147 -21.161 -8.715 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 -0.117 -21.501 -9.775 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 -24.671 -0.883 4.708 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 -24.061 -1.623 4.698 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 -24.151 -0.153 5.058 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 19.607 -18.780 17.120 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 19.117 -18.340 16.420 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 19.017 -19.450 17.440 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 10.606 -16.798 5.088 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 10.046 -16.127 4.698 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 11.476 -16.397 5.098 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 -14.512 -1.081 21.668 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 -15.262 -1.351 21.138 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 -14.262 -1.861 22.158 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 -8.438 -1.918 7.746 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 -7.868 -2.658 7.966 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 -7.838 -1.178 7.666 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 5.416 -10.613 -23.887 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 5.526 -11.373 -24.447 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 5.576 -10.933 -22.997 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 -24.477 -0.199 -19.154 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 -23.537 0.001 -19.154 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 -24.837 0.301 -18.424 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 19.187 13.368 13.674 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 18.507 13.548 14.314 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 19.767 12.748 14.104 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 -10.472 5.249 -16.077 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 -10.082 4.889 -15.287 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 -10.582 4.489 -16.657 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -8.764 12.858 -18.972 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -9.384 12.518 -19.612 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -7.914 12.768 -19.402 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 -0.921 -5.082 16.993 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 -0.701 -5.212 16.063 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 -0.141 -4.702 17.373 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 11.921 -1.817 6.063 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 12.871 -1.738 6.193 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 11.701 -1.108 5.463 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 -12.982 -17.931 -19.594 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 -13.182 -18.301 -18.734 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 -13.572 -18.401 -20.184 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -18.126 -2.898 24.297 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -18.236 -1.968 24.477 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -18.036 -3.308 25.157 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 -10.785 -12.122 -14.507 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 -9.965 -12.502 -14.807 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 -10.605 -11.192 -14.407 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 10.203 -19.507 17.542 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 9.603 -19.287 18.262 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 11.073 -19.317 17.882 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -12.997 -22.253 -10.574 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -13.557 -22.743 -9.964 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -12.187 -22.113 -10.104 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -16.422 -9.768 -22.245 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -17.072 -9.988 -21.585 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -15.592 -9.718 -21.765 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 6.838 4.716 6.876 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 5.888 4.766 6.996 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 7.188 5.316 7.536 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 15.183 12.988 15.842 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 15.453 12.328 16.482 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 14.263 13.158 16.042 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -6.241 -8.309 14.075 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -5.721 -9.099 13.985 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -6.211 -7.899 13.215 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 7.947 -19.576 1.809 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 7.687 -20.236 2.459 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 8.847 -19.366 2.039 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 13.308 -12.954 10.437 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 13.638 -12.384 9.747 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 12.728 -12.394 10.957 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 14.460 4.585 7.518 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 13.541 4.395 7.348 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 14.611 4.255 8.408 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -22.684 5.709 2.105 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -22.414 5.059 1.455 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -22.064 6.429 1.995 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 -13.168 -9.741 -7.170 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 -12.548 -9.011 -7.160 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 -13.398 -9.851 -8.100 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 10.374 5.686 -3.237 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 10.044 4.826 -3.007 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 9.594 6.206 -3.427 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 -19.837 -15.223 -23.941 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 -19.217 -15.163 -24.671 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 -20.677 -14.953 -24.321 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 -21.056 -1.631 23.258 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 -21.846 -2.131 23.458 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 -20.776 -1.261 24.088 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 8.976 -10.702 11.829 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 8.566 -10.362 12.629 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 8.276 -10.702 11.179 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 -13.221 -13.680 18.697 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 -13.791 -13.330 19.377 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 -13.091 -12.950 18.097 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -9.468 -8.041 -11.359 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -8.878 -8.801 -11.379 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -9.698 -7.891 -12.279 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -11.879 6.978 -6.010 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -11.829 7.908 -6.190 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -11.039 6.768 -5.600 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 2.087 -0.246 -24.176 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 2.097 -0.616 -23.296 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 2.527 0.594 -24.086 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 18.905 -6.004 -6.360 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 18.015 -5.704 -6.570 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 19.445 -5.224 -6.470 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 10.493 2.785 -18.939 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 11.273 2.235 -18.859 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 10.763 3.635 -18.599 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 -17.313 7.876 13.299 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 -17.713 8.376 14.019 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 -17.573 8.356 12.509 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 24.963 4.722 -20.117 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 24.103 4.382 -19.887 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 25.243 4.182 -20.857 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 23.191 -14.591 -16.370 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 23.340 -14.181 -17.220 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 24.061 -14.631 -15.960 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -13.947 -20.730 10.973 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -14.317 -20.600 10.093 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -13.057 -20.380 10.913 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 22.843 -20.701 -23.687 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 22.633 -20.421 -24.577 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 23.233 -21.571 -23.787 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 25.083 12.937 -6.286 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 24.143 13.067 -6.196 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 25.263 13.127 -7.206 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 -19.171 14.628 -18.301 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 -19.311 15.328 -17.661 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 -18.661 15.038 -19.001 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 5.665 11.185 18.067 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 5.445 10.275 18.277 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 5.065 11.415 17.357 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 -3.542 -10.098 -19.746 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 -4.252 -10.648 -20.076 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 -2.762 -10.398 -20.216 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 16.308 12.679 7.361 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 16.788 12.959 6.581 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 16.738 11.859 7.621 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 25.381 3.838 18.804 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 25.341 4.738 18.494 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 24.651 3.408 18.354 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 16.465 -19.553 -16.416 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 17.215 -20.123 -16.236 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 16.405 -18.993 -15.646 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 -2.608 15.623 -3.765 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 -2.948 15.003 -3.115 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 -2.428 16.413 -3.255 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 6.391 -17.856 -0.091 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 5.461 -17.946 0.129 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 6.821 -18.536 0.419 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 -16.061 0.911 -1.387 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 -15.471 0.671 -0.667 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 -16.521 0.101 -1.597 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 -17.222 4.744 18.035 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 -17.542 3.844 18.095 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 -16.412 4.674 17.525 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 11.248 1.933 9.796 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 10.898 1.763 10.676 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 11.268 2.883 9.726 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 -14.526 -7.344 -11.443 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 -14.336 -6.634 -12.063 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 -15.246 -7.014 -10.903 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 -24.457 18.659 10.175 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 -23.537 18.619 10.445 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 -24.447 18.339 9.275 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -0.235 8.156 1.909 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 0.495 8.536 2.389 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -0.125 8.466 1.009 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 -6.744 19.095 19.788 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 -6.454 19.465 20.618 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 -6.174 19.495 19.138 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 25.158 23.301 15.997 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 24.258 23.581 16.177 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 25.098 22.351 15.897 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 2.804 -2.050 -0.726 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 2.034 -1.540 -0.956 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 3.314 -2.100 -1.536 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -18.691 -8.926 -20.796 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -18.451 -8.556 -19.946 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -19.641 -8.826 -20.846 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 16.515 22.320 -22.895 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 17.455 22.470 -23.005 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 16.395 22.230 -21.955 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 3.377 -13.222 20.936 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 4.247 -13.272 20.536 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 3.417 -12.452 21.506 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 24.113 9.698 6.676 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 23.603 10.348 7.166 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 23.493 9.358 6.016 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 23.026 -10.037 -4.310 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 23.506 -10.857 -4.420 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 23.286 -9.717 -3.450 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 8.631 -5.465 -3.418 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 8.371 -6.155 -4.028 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 7.801 -5.125 -3.078 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 14.098 -8.421 -1.118 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 13.328 -7.851 -1.098 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 13.758 -9.291 -0.918 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 -4.058 24.766 6.320 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 -3.788 25.236 7.110 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 -3.668 23.896 6.410 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 13.442 -2.439 10.082 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 14.292 -2.799 10.332 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 13.412 -1.579 10.502 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 -13.214 1.929 3.702 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 -12.674 2.449 3.102 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 -14.094 1.989 3.342 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -22.601 8.952 20.772 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -21.841 9.342 21.222 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -22.571 8.032 21.012 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -14.846 2.798 -25.131 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -14.616 2.248 -24.371 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -15.766 3.018 -24.991 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 7.223 21.574 21.615 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 6.733 21.514 20.805 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 6.573 21.854 22.265 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 2.192 -11.126 8.691 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 2.802 -10.546 8.241 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 2.572 -11.246 9.561 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 0.351 -20.527 -20.434 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 0.211 -19.677 -20.024 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -0.069 -20.447 -21.294 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 0.983 18.552 4.979 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 1.913 18.682 5.149 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 0.873 17.602 5.009 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -6.315 -3.059 -9.700 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -7.265 -2.909 -9.760 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -5.925 -2.399 -10.270 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 -24.567 -5.098 5.752 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 -25.067 -5.378 6.512 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 -24.857 -5.688 5.052 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 -3.014 -8.116 -0.544 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 -3.484 -7.296 -0.374 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 -3.584 -8.796 -0.174 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 23.701 -1.636 6.337 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 24.270 -1.696 5.577 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 22.821 -1.816 5.997 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 13.972 15.024 23.664 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 13.292 15.694 23.714 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 14.372 15.024 24.534 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 18.086 -4.285 -22.214 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 17.426 -4.725 -22.754 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 18.416 -4.975 -21.644 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 5.939 1.377 11.856 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 6.159 1.117 12.746 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 5.859 2.337 11.906 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 15.811 11.572 2.822 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 16.341 11.962 3.512 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 16.391 10.922 2.412 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 -0.916 6.949 -14.137 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 -0.316 6.729 -14.847 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 -0.376 7.409 -13.497 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 -9.422 -15.059 10.576 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 -10.222 -14.899 10.076 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 -9.082 -14.189 10.766 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 -16.097 -4.103 -18.001 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 -15.177 -4.003 -18.281 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 -16.597 -3.653 -18.671 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 -2.703 16.348 -22.973 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 -2.313 17.198 -23.163 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 -3.603 16.418 -23.303 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 -8.864 -18.646 24.726 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 -9.574 -18.006 24.796 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 -9.134 -19.356 25.306 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 13.996 -3.695 -1.173 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 13.856 -3.405 -2.073 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 14.556 -4.475 -1.263 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 -7.467 22.059 -12.557 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 -8.327 22.469 -12.577 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 -7.367 21.679 -13.437 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 -11.919 -17.548 -2.354 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 -12.419 -18.198 -2.854 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 -12.469 -17.368 -1.584 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 6.386 -20.802 14.960 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 6.586 -20.962 15.880 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 6.006 -19.922 14.940 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 -12.577 22.444 -18.591 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 -13.317 22.024 -19.021 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 -11.857 21.834 -18.711 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 18.262 19.959 16.856 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 18.682 20.019 15.996 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 18.982 20.059 17.486 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 10.852 2.198 -7.262 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 10.642 1.288 -7.442 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 11.762 2.188 -6.992 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 1.053 12.837 18.295 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 1.073 13.347 19.105 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 0.693 13.437 17.635 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 -22.087 -4.388 24.025 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 -22.967 -4.438 23.675 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 -21.937 -5.238 24.435 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -15.038 13.153 -3.008 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -14.198 12.903 -2.638 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -15.558 13.453 -2.268 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 3.112 -18.281 -20.834 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 2.262 -18.381 -20.414 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 3.112 -18.951 -21.524 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 14.379 1.869 8.730 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 14.709 2.579 9.270 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 13.909 1.299 9.340 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 -11.387 -20.627 -12.844 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 -10.997 -21.277 -13.424 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 -11.987 -20.127 -13.404 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 22.944 -5.925 -5.360 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 23.314 -6.665 -5.850 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 22.064 -6.215 -5.100 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -23.817 5.571 6.372 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -23.607 5.291 7.272 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -23.137 6.211 6.162 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 2.403 -9.176 25.039 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 3.343 -9.076 24.889 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 2.013 -8.386 24.649 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 8.074 -1.988 -3.044 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 8.944 -2.128 -3.434 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 7.494 -2.538 -3.574 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 -21.358 22.815 10.835 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 -21.568 23.695 11.135 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 -21.548 22.825 9.895 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 11.571 -11.353 11.488 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 11.451 -11.743 12.348 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 10.691 -11.093 11.208 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -19.095 -20.778 -3.321 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -19.625 -21.418 -2.841 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -18.255 -20.758 -2.861 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -6.787 -8.743 -9.382 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -7.637 -8.313 -9.322 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -6.187 -8.033 -9.622 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 -6.086 -25.157 -16.403 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 -5.946 -24.247 -16.653 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 -5.966 -25.157 -15.453 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 4.416 -14.213 -14.215 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 3.736 -13.843 -13.655 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 4.206 -13.893 -15.085 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 12.229 9.212 2.536 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 11.609 9.932 2.446 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 13.049 9.632 2.816 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 -11.888 -4.719 -0.614 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 -12.628 -4.159 -0.394 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 -12.178 -5.209 -1.384 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 -6.259 25.471 -7.546 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 -6.760 24.651 -7.466 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 -6.109 25.571 -8.476 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 -8.844 -19.802 18.667 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 -9.534 -19.382 18.147 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 -9.314 -20.332 19.307 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 -13.346 -23.114 -13.238 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 -12.876 -22.814 -12.458 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 -12.666 -23.494 -13.798 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 9.913 17.939 -7.837 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 9.153 17.749 -8.397 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 9.533 18.359 -7.067 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 14.067 21.606 -17.147 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 14.657 21.486 -16.397 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 13.357 20.976 -16.987 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 15.602 6.836 18.822 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 14.712 7.046 18.542 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 16.022 6.456 18.052 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 0.651 -17.411 8.325 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 0.591 -17.981 7.555 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 -0.079 -17.671 8.875 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -10.772 -3.178 2.443 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -11.492 -3.528 2.963 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -10.452 -2.428 2.953 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 -11.719 -8.724 -1.177 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 -11.339 -9.604 -1.227 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 -11.369 -8.274 -1.947 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 3.477 3.076 -13.941 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 3.777 3.976 -13.791 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 2.807 3.166 -14.631 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -12.567 -7.747 7.802 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -13.097 -7.977 8.572 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -11.747 -7.427 8.162 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 18.303 -16.284 -15.349 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 18.713 -15.594 -14.829 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 18.333 -15.954 -16.249 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 14.989 16.514 8.099 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 14.899 15.634 8.479 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 15.909 16.744 8.239 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -4.949 9.035 4.546 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -5.209 9.495 5.346 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -5.239 8.125 4.686 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 20.405 -20.708 22.042 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 21.355 -20.828 22.122 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 20.155 -20.248 22.842 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 21.874 16.934 23.026 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 21.614 16.334 23.726 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 22.684 17.324 23.336 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 -17.767 -22.944 15.821 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 -17.297 -22.964 14.981 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 -17.447 -22.144 16.241 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 21.799 -5.759 5.055 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 22.139 -6.129 5.875 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 22.489 -5.159 4.765 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 -24.699 4.254 -22.728 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 -23.959 4.454 -22.148 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 -24.289 3.834 -23.488 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 15.518 -6.068 -1.619 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 15.028 -6.868 -1.399 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 16.418 -6.358 -1.709 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 4.417 -25.233 -24.759 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 4.037 -24.473 -25.199 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 3.767 -25.473 -24.099 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 -0.306 25.136 1.906 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 -0.536 24.496 2.586 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 0.604 25.356 2.086 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 9.631 -6.390 -13.215 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 9.131 -5.770 -12.685 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 10.471 -6.470 -12.765 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 17.477 17.253 -13.334 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 17.137 16.423 -13.664 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 16.697 17.723 -13.024 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 -23.394 -13.758 15.785 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 -22.664 -14.368 15.845 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 -22.994 -12.908 15.605 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 -23.116 1.332 6.572 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 -22.356 1.392 7.152 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 -22.876 1.852 5.802 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 10.168 19.536 11.341 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 11.028 19.136 11.341 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 10.278 20.336 11.861 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -16.907 20.567 23.113 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -17.137 19.897 23.763 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -16.627 20.067 22.343 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 -11.823 24.381 20.628 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 -11.573 24.791 19.808 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 -11.403 23.521 20.608 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 13.853 12.765 22.166 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 13.713 13.295 21.376 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 14.113 13.395 22.836 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 -1.093 -10.362 -21.368 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 -1.153 -10.102 -22.288 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 -0.373 -9.832 -21.018 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 -21.814 -10.113 -22.734 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 -22.574 -9.583 -22.964 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 -22.184 -10.933 -22.414 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -9.525 -3.094 -12.391 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -10.025 -2.284 -12.281 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -9.925 -3.514 -13.151 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 -25.336 9.799 24.344 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 -25.046 10.479 24.954 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 -24.556 9.609 23.824 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 2.056 10.282 -16.516 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 2.736 10.952 -16.646 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 1.256 10.792 -16.356 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 -5.132 -22.233 -17.172 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 -5.732 -21.543 -16.892 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 -5.092 -22.153 -18.122 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 23.467 -22.387 -15.097 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 23.227 -23.268 -15.377 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 24.267 -22.498 -14.587 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 18.113 23.106 -15.762 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 18.043 23.566 -14.922 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 17.213 22.876 -15.982 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 -11.061 0.163 13.746 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 -11.411 0.953 14.166 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 -10.451 -0.197 14.396 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -15.603 2.449 17.053 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -15.263 1.579 16.833 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -15.863 2.379 17.963 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 24.148 13.551 5.178 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 23.788 13.621 6.068 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 23.498 13.041 4.698 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -22.709 -15.344 -22.105 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -22.539 -14.724 -21.395 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -22.109 -16.074 -21.945 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 18.616 12.430 -22.025 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 17.726 12.350 -22.355 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 18.736 11.660 -21.465 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -15.158 -2.761 -23.497 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -14.278 -2.411 -23.627 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -15.138 -3.621 -23.907 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 -22.509 13.430 24.057 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 -21.889 13.740 23.407 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 -22.079 13.590 24.897 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 17.773 11.047 12.292 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 17.343 11.897 12.332 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 18.503 11.117 12.912 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 6.897 0.709 14.183 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 7.217 0.899 15.073 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 6.937 -0.241 14.113 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 1.604 15.530 14.744 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 1.074 14.830 15.124 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 1.994 15.970 15.504 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 -20.211 -22.314 -22.482 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 -19.841 -22.974 -23.082 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 -20.821 -21.814 -23.022 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 13.831 -15.284 17.348 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 13.791 -16.234 17.438 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 14.631 -15.034 17.808 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 20.063 23.241 17.166 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 19.423 23.771 16.666 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 19.633 23.091 18.006 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 7.093 -20.740 9.974 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 7.753 -20.690 9.284 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 6.353 -20.240 9.644 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 23.237 16.174 -6.156 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 23.747 16.154 -5.346 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 23.097 15.254 -6.376 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 -0.734 -9.876 -12.873 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 -0.164 -10.566 -13.193 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 -1.004 -9.396 -13.653 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 12.218 4.521 10.514 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 12.758 3.991 9.924 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 12.798 5.201 10.834 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 -4.688 -10.789 -0.255 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 -4.338 -10.999 -1.125 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 -5.528 -11.249 -0.225 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 19.727 12.518 6.021 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 19.987 13.058 6.771 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 20.307 12.788 5.311 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 6.400 -9.788 18.819 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 6.141 -8.928 19.139 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 6.740 -10.238 19.599 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 -20.059 5.010 18.943 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 -19.129 5.150 19.143 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 -20.079 4.200 18.433 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 10.717 -7.803 1.960 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 11.197 -7.853 2.780 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 9.827 -7.573 2.220 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 13.818 20.643 3.804 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 14.408 19.913 3.644 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 13.738 20.693 4.754 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 -16.661 -17.416 -19.697 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 -16.921 -17.626 -18.797 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 -16.941 -18.186 -20.207 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 3.873 11.802 24.401 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 3.983 12.712 24.121 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 4.703 11.582 24.821 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 -10.405 -2.294 5.332 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 -10.125 -3.204 5.402 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 -9.745 -1.794 5.822 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 23.649 -1.041 12.462 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 23.489 -1.451 13.322 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 23.579 -1.771 11.842 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 10.789 8.862 -18.877 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 11.059 8.122 -18.347 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 10.929 9.622 -18.317 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 -18.217 24.331 8.401 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 -18.127 24.801 9.231 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 -18.527 23.461 8.641 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 21.858 5.700 -21.860 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 21.848 4.750 -21.730 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 22.138 6.060 -21.020 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 -18.587 7.737 -14.852 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 -18.227 8.567 -15.172 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 -18.307 7.097 -15.492 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 7.588 -9.366 13.696 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 7.358 -8.506 14.046 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 7.728 -9.916 14.466 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 24.522 -12.428 20.473 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 24.592 -11.478 20.363 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 25.162 -12.638 21.143 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 -20.601 16.881 -20.090 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 -21.471 16.531 -20.300 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 -20.771 17.571 -19.450 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 13.982 17.108 -12.561 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 13.542 16.638 -13.261 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 13.322 17.718 -12.231 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 -24.606 -5.268 23.936 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 -24.396 -6.118 24.316 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 -25.396 -4.978 24.396 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 8.416 -15.639 10.804 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 7.806 -14.899 10.814 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 8.726 -15.679 9.904 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 4.508 14.042 13.964 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 4.878 14.212 13.104 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 3.698 14.542 13.994 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 -20.535 -22.961 14.755 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 -20.655 -22.021 14.605 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 -19.755 -23.021 15.305 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 22.979 -17.565 -12.591 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 22.269 -17.785 -13.181 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 22.739 -17.965 -11.761 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 4.003 -15.837 -2.435 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 3.823 -16.387 -1.665 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 4.753 -16.257 -2.855 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -18.625 -20.828 -16.213 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -19.185 -20.428 -15.553 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -19.225 -21.218 -16.843 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 -18.366 15.495 -20.938 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 -17.606 16.005 -21.208 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 -19.026 16.145 -20.688 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 -3.299 2.690 11.852 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 -4.129 2.370 11.482 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 -2.639 2.430 11.202 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 -23.058 6.517 -6.581 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 -22.808 7.407 -6.321 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 -22.358 6.227 -7.161 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 -12.442 11.439 23.945 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 -13.332 11.759 24.085 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 -12.282 10.869 24.705 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 22.087 6.819 -14.953 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 21.707 7.529 -15.463 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 22.537 6.269 -15.593 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 -8.536 5.773 3.828 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 -9.056 5.813 4.628 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 -8.906 6.463 3.278 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 -0.365 -17.218 20.008 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 -0.415 -16.378 20.458 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 -1.035 -17.758 20.428 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -9.076 11.800 -8.853 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -9.236 10.950 -8.423 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -9.876 11.970 -9.343 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 -15.713 -20.989 -12.114 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 -15.443 -20.339 -11.464 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 -14.893 -21.299 -12.504 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 8.643 -15.180 4.068 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 9.143 -14.660 3.438 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 8.113 -15.750 3.518 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 -14.183 21.353 2.942 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 -14.273 20.473 3.302 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 -14.613 21.923 3.582 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 -20.761 -0.598 6.043 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 -21.291 0.172 6.263 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 -21.291 -1.338 6.343 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 21.584 13.372 -19.520 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 21.804 13.702 -18.650 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 22.214 12.662 -19.670 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 -7.496 0.022 2.710 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 -7.566 0.482 1.870 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 -7.836 -0.858 2.540 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 19.058 -7.669 17.360 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 19.538 -8.389 17.780 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 18.388 -7.429 17.990 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 -6.600 13.472 -2.482 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 -6.730 14.322 -2.902 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 -6.389 13.682 -1.572 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 6.944 -21.251 -0.779 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 7.114 -20.831 0.061 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 6.804 -22.171 -0.559 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 -20.707 24.726 -22.334 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 -20.837 24.706 -21.384 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 -20.557 23.806 -22.564 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 4.325 12.355 20.312 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 4.755 13.115 19.932 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 4.255 11.725 19.582 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 20.272 -9.148 -17.530 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 20.062 -8.558 -16.800 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 19.992 -8.668 -18.310 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 -4.602 22.629 -6.007 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 -4.202 23.499 -6.007 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 -3.852 22.029 -5.947 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 8.479 -19.596 -9.625 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 8.819 -19.996 -8.825 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 9.189 -19.016 -9.915 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 0.354 6.875 15.940 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 -0.056 6.195 16.470 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 -0.126 6.855 15.110 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 2.733 -11.936 -2.078 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 2.013 -11.456 -1.658 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 3.063 -11.336 -2.748 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -16.123 -0.784 -14.920 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -16.963 -0.344 -15.060 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -15.573 -0.124 -14.510 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 25.414 24.184 6.871 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 24.524 24.524 6.871 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 25.414 23.504 7.551 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 -13.337 -18.302 13.333 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 -12.427 -17.992 13.363 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 -13.267 -19.262 13.313 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 22.882 22.156 4.111 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 23.042 22.046 3.181 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 22.902 21.276 4.471 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 -18.173 -20.942 3.103 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 -17.833 -21.842 3.113 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 -17.473 -20.422 2.713 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 23.108 12.940 14.101 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 23.258 12.850 15.041 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 22.338 12.390 13.931 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 -21.084 -15.708 21.863 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 -20.714 -16.007 21.033 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 -21.894 -15.268 21.623 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 -1.018 -17.973 -13.284 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 -0.938 -18.923 -13.244 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 -1.448 -17.733 -12.464 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 -16.276 0.066 -20.887 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 -16.596 -0.804 -20.637 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 -17.026 0.496 -21.277 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 3.921 -21.192 8.639 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 3.371 -20.502 8.269 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 3.451 -21.482 9.419 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 25.208 13.674 22.787 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 24.678 12.934 23.067 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 24.578 14.364 22.577 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 3.089 -20.904 -19.616 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 2.139 -20.834 -19.586 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 3.279 -21.184 -20.516 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 7.283 21.907 15.094 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 7.973 22.207 15.694 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 6.483 22.307 15.434 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 -0.065 -9.220 -1.490 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 -0.765 -8.990 -0.880 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 0.685 -9.440 -0.920 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -18.406 21.583 -23.090 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -18.226 21.103 -22.280 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -18.946 20.993 -23.610 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 9.853 -2.387 -5.271 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 10.383 -1.947 -5.931 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 9.043 -2.617 -5.731 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 13.925 18.119 -7.051 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 14.045 18.049 -6.101 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 14.145 17.239 -7.381 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 -1.846 -20.877 10.446 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 -1.186 -21.567 10.516 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 -2.346 -20.947 11.256 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 3.413 17.093 25.122 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 3.323 17.463 24.242 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 3.953 17.723 25.592 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 -6.247 9.058 -22.037 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 -5.807 9.768 -22.497 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 -6.327 8.358 -22.687 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -20.308 -7.563 9.573 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -20.118 -8.273 10.173 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -19.638 -6.903 9.753 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 3.176 20.489 -22.614 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 3.356 21.099 -23.334 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 2.306 20.139 -22.804 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 5.482 0.459 1.336 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 6.242 0.259 0.786 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 5.782 0.269 2.226 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 21.453 3.461 -10.650 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 22.123 3.401 -11.330 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 21.343 2.561 -10.340 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 -2.561 24.602 0.416 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 -2.321 24.402 -0.494 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 -1.721 24.772 0.846 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -12.082 15.140 14.817 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -12.722 14.800 15.447 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -11.232 14.970 15.227 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 21.903 0.978 -3.362 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 22.633 0.598 -2.862 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 22.073 0.738 -4.272 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 -5.115 22.854 -10.547 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 -5.575 22.444 -11.287 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 -5.025 22.144 -9.907 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 7.828 16.334 -13.348 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 7.898 15.884 -14.198 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 8.598 16.054 -12.868 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 23.722 9.285 -13.756 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 24.322 8.655 -13.356 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 22.862 8.845 -13.746 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 21.587 17.084 -9.095 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 21.907 16.624 -9.865 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 21.967 16.604 -8.355 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 16.871 -16.426 -1.541 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 17.121 -15.996 -2.361 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 16.201 -17.056 -1.791 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 18.328 9.990 -12.318 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 17.798 9.850 -13.108 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 17.698 9.980 -11.598 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 12.743 -24.827 -18.501 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 11.993 -25.027 -17.941 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 12.593 -23.927 -18.781 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 -2.124 -23.357 -20.483 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 -1.344 -23.387 -21.043 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 -2.624 -22.617 -20.823 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 -17.934 -16.087 -10.673 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 -18.834 -16.317 -10.923 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 -17.834 -15.187 -10.983 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 2.473 -18.939 3.528 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 1.843 -19.619 3.308 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 1.953 -18.259 3.958 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 1.746 -1.487 -11.719 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 0.956 -0.958 -11.609 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 2.286 -0.988 -12.329 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 -3.631 24.821 22.570 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 -3.081 24.601 21.820 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 -4.511 24.521 22.320 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 7.125 -6.243 -25.457 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 8.055 -6.113 -25.287 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 6.685 -5.793 -24.737 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -14.879 -8.451 -14.895 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -15.039 -7.711 -14.305 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -14.199 -8.961 -14.455 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -10.845 19.507 13.830 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -11.695 19.277 13.450 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -10.205 19.187 13.190 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 8.134 6.452 8.488 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 8.554 7.032 7.858 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 8.554 6.672 9.318 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -5.167 -7.348 -15.754 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -4.467 -6.738 -15.534 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -4.957 -8.138 -15.244 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 24.775 -24.256 15.150 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 25.325 -25.046 15.140 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 24.035 -24.486 14.600 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -20.354 -6.888 -15.252 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -20.424 -7.678 -15.782 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -20.704 -7.148 -14.392 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 0.109 1.116 -4.827 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 -0.301 1.856 -4.387 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 -0.621 0.566 -5.127 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 19.555 -0.367 16.003 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 19.565 0.593 16.013 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 18.855 -0.597 16.613 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 -1.315 -7.504 8.360 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 -1.815 -7.804 7.590 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 -0.485 -7.184 8.000 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 20.042 20.867 -10.724 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 19.722 19.987 -10.554 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 20.442 20.817 -11.594 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 9.008 -6.417 8.278 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 8.838 -5.597 8.748 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 9.808 -6.237 7.778 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -5.268 -23.786 -5.388 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -5.858 -24.116 -6.068 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -5.398 -22.836 -5.408 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 -16.121 8.481 -17.083 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 -16.941 8.001 -17.173 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 -15.671 8.061 -16.363 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 20.717 -11.808 -16.208 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 20.237 -10.988 -16.318 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 20.237 -12.278 -15.528 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 13.075 -0.111 14.777 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 13.365 0.769 14.497 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 12.935 -0.031 15.717 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 11.095 -22.030 -3.417 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 11.225 -22.260 -4.337 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 10.935 -22.870 -2.977 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 -11.262 -7.398 -23.634 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 -10.832 -8.168 -23.254 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 -12.172 -7.658 -23.744 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 -10.385 -19.548 -16.798 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -9.875 -18.788 -16.518 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 -11.215 -19.188 -17.098 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -23.385 -13.577 -3.413 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -23.635 -12.827 -2.883 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -22.865 -14.127 -2.823 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 23.658 7.419 -7.330 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 24.408 7.989 -7.200 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 23.258 7.729 -8.150 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 25.139 -0.802 9.010 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 25.649 -0.412 8.300 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 24.229 -0.752 8.700 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.364 18.732 -1.349 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -16.734 18.232 -0.829 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.994 18.072 -1.659 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 6.228 -13.302 3.799 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 7.118 -13.562 3.589 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 5.678 -13.922 3.319 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -15.059 -10.745 -11.887 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -14.199 -11.115 -12.097 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -14.880 -9.835 -11.637 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 -1.684 -17.851 -7.672 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 -2.404 -18.421 -7.942 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 -1.314 -18.281 -6.892 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 -16.661 24.015 4.878 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 -16.941 24.525 4.128 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 -16.201 24.635 5.438 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 -17.713 2.168 21.401 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 -18.253 2.958 21.341 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 -17.813 1.888 22.311 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 -18.218 -0.021 0.890 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 -18.818 -0.721 0.630 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 -18.288 0.009 1.850 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 23.481 0.412 20.143 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 24.161 0.622 19.493 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 23.601 -0.518 20.323 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 20.238 15.162 -4.611 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 19.828 15.642 -5.331 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 21.088 15.592 -4.501 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 17.083 -21.499 12.753 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 17.433 -20.839 12.143 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 17.863 -21.929 13.103 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 -4.371 -1.130 7.075 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 -4.821 -1.970 7.145 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 -4.951 -0.510 7.515 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 -4.418 22.305 -14.708 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 -4.578 21.385 -14.508 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 -3.658 22.295 -15.278 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 9.877 -0.790 10.833 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 9.917 -0.030 11.413 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 10.417 -0.550 10.073 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 23.648 -21.659 7.389 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 23.618 -21.499 6.449 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 24.458 -21.249 7.679 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 -22.506 9.410 -9.684 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 -22.416 8.710 -10.324 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 -21.866 9.190 -9.004 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 23.588 -10.821 6.613 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 22.698 -10.531 6.393 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 23.498 -11.761 6.763 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 -4.856 14.413 -24.705 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 -4.416 15.243 -24.855 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 -5.156 14.453 -23.795 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 -22.696 5.629 -15.753 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 -22.926 6.559 -15.813 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 -22.366 5.419 -16.633 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 9.966 -23.442 -5.962 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 9.516 -24.292 -5.882 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 9.706 -23.112 -6.822 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 9.366 -13.265 2.366 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 9.756 -13.845 1.706 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 9.056 -12.505 1.866 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 18.779 2.030 -6.703 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 18.649 2.150 -7.643 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 18.549 2.880 -6.323 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 -18.964 7.495 6.353 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 -18.624 8.365 6.163 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 -19.574 7.625 7.083 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 -5.483 -20.498 6.050 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 -6.343 -20.798 6.330 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 -5.013 -20.308 6.860 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 5.968 24.282 -16.679 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 5.818 24.822 -17.459 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 5.088 23.982 -16.429 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 -11.207 13.956 -25.203 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 -11.597 13.336 -25.813 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 -11.107 13.466 -24.383 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 13.075 7.682 4.679 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 12.585 8.022 3.929 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 12.825 6.752 4.729 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 1.008 5.622 -24.371 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 0.198 5.402 -24.831 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 0.728 6.162 -23.631 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 1.314 -11.499 23.742 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 1.254 -11.379 22.792 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 1.684 -10.679 24.062 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 20.224 -24.350 -22.884 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 20.684 -24.300 -23.724 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 20.074 -23.440 -22.634 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 -19.687 10.141 17.643 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 -19.287 9.441 18.153 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 -19.117 10.901 17.783 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 9.222 12.305 -1.191 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 8.522 11.645 -1.241 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 9.032 12.905 -1.911 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -17.695 23.742 -9.309 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -16.935 23.422 -9.789 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -17.455 23.662 -8.389 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 -19.602 17.065 2.761 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 -19.732 18.015 2.871 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 -20.252 16.675 3.351 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 -0.122 -19.150 -23.267 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 -0.612 -18.370 -22.997 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 -0.162 -19.130 -24.227 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 18.062 1.104 19.380 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 17.772 0.604 18.620 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 18.932 1.414 19.150 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 11.695 22.766 -3.060 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 10.825 23.066 -2.830 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 11.935 22.156 -2.370 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 -16.135 10.547 -8.089 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 -16.935 10.047 -8.229 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 -15.545 9.957 -7.629 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 -14.102 0.762 7.770 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 -13.642 0.342 7.040 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 -14.842 0.182 7.950 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 -3.593 -10.692 -23.120 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 -3.393 -11.362 -22.470 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 -4.523 -10.802 -23.300 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 10.311 4.249 -9.614 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 9.901 4.889 -9.034 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 11.000 3.849 -9.084 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -14.097 10.251 -2.543 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -14.867 10.811 -2.653 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -14.337 9.421 -2.953 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -10.292 -5.017 -10.717 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -10.082 -4.157 -11.087 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -9.582 -5.587 -11.017 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 -4.183 -24.636 8.786 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 -5.083 -24.786 9.076 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 -3.643 -24.906 9.526 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 13.116 -4.776 -8.872 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 13.386 -3.866 -8.942 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 12.406 -4.766 -8.232 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 -24.931 -11.009 -2.764 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 -24.571 -11.019 -3.654 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 -24.191 -10.799 -2.204 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 -16.041 6.989 -13.310 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 -16.091 7.949 -13.230 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 -15.271 6.839 -13.860 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 7.697 -21.999 -16.747 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 7.617 -21.959 -15.797 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 6.837 -21.739 -17.077 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 6.055 23.395 -23.504 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 5.395 23.895 -23.984 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 6.375 24.005 -22.844 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 2.641 8.365 -22.341 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 3.240 8.415 -21.601 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 2.101 9.145 -22.271 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 -24.061 8.863 11.507 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 -24.101 9.803 11.367 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 -24.701 8.503 10.887 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 -12.167 -6.935 -6.817 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 -12.137 -6.365 -7.587 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 -11.447 -6.625 -6.267 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 15.707 -21.182 -1.585 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 15.917 -22.122 -1.595 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 16.557 -20.742 -1.595 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 -19.823 -24.118 -24.828 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 -18.933 -24.488 -24.788 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 -20.393 -24.878 -24.868 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -4.488 -16.850 -24.208 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -5.068 -16.180 -23.858 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -4.868 -17.080 -25.048 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 -23.667 1.869 11.247 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 -23.267 1.089 10.877 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 -24.137 2.269 10.517 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 25.048 -23.292 -10.864 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 25.508 -22.972 -10.094 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 24.118 -23.202 -10.644 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 1.021 0.178 1.179 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 1.600 0.928 1.009 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 1.610 -0.522 1.439 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 -16.361 18.699 2.232 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 -16.871 17.929 2.462 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 -16.771 19.419 2.712 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 22.099 6.285 16.626 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 22.749 5.685 16.276 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 22.479 7.155 16.506 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 5.289 23.008 12.813 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 4.619 22.318 12.763 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 6.029 22.578 13.233 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 17.029 3.565 -1.762 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 16.709 3.605 -2.662 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 17.889 3.155 -1.832 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 -17.312 -22.860 -1.946 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 -17.712 -23.630 -2.336 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 -16.372 -22.950 -2.136 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 8.787 -4.006 0.511 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 9.647 -3.656 0.311 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 8.197 -3.246 0.471 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -0.407 -21.227 -16.792 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -0.857 -20.717 -17.462 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 0.413 -20.757 -16.642 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 -15.582 0.038 1.176 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 -15.402 -0.692 1.776 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 -16.512 -0.042 0.966 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 -7.573 -11.251 14.695 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 -8.023 -10.771 15.385 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 -6.643 -11.041 14.825 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -5.218 12.872 11.333 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -5.228 13.832 11.293 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -5.378 12.672 12.253 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 -15.968 -1.942 -6.552 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 -15.348 -1.992 -7.282 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 -15.508 -2.352 -5.822 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 7.704 24.832 10.873 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 8.514 25.282 10.653 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 7.424 25.232 11.693 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -5.134 -1.022 -11.211 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -5.454 -1.372 -12.041 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -4.954 -0.102 -11.391 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 8.874 -23.051 -10.587 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 9.334 -23.821 -10.237 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 8.164 -23.421 -11.117 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 -13.793 -6.326 22.718 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 -14.153 -6.636 21.888 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 -13.693 -7.116 23.248 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 -5.192 -12.894 19.266 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 -4.502 -12.344 18.896 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 -4.762 -13.744 19.426 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 -16.778 -16.518 -13.203 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 -16.978 -16.418 -12.273 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 -17.058 -15.678 -13.593 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 11.581 5.562 -20.717 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 11.561 6.112 -21.507 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 12.511 5.482 -20.497 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 -19.432 17.223 21.551 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 -19.922 17.743 20.911 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 -18.602 17.023 21.111 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 -15.414 19.980 20.703 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 -14.814 20.440 21.283 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 -15.884 20.670 20.243 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 -3.616 -15.608 -9.454 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 -4.426 -15.808 -8.974 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 -2.956 -16.158 -9.044 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 -15.202 22.480 0.832 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 -15.592 23.220 1.302 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 -14.792 21.940 1.512 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 -6.983 -16.649 13.091 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 -6.733 -15.879 13.611 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 -6.223 -17.219 13.141 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 -5.202 16.689 -2.234 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 -4.442 17.149 -2.574 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 -5.952 17.189 -2.564 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 -8.266 11.653 -21.214 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 -8.046 10.773 -20.904 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 -8.846 11.503 -21.964 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 7.835 -4.454 -11.101 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 7.605 -4.684 -10.201 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 6.995 -4.404 -11.551 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 20.815 10.478 -3.417 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 20.625 10.988 -2.627 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 21.765 10.538 -3.507 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 -3.064 -23.267 17.952 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 -3.974 -23.097 17.702 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 -2.654 -22.397 17.962 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 3.349 5.303 -1.986 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 2.399 5.223 -1.906 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 3.499 6.243 -2.146 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 -20.141 -5.836 2.361 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 -20.521 -6.596 2.811 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 -20.731 -5.676 1.631 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -12.736 6.455 13.954 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -12.526 5.905 13.194 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -13.486 6.975 13.664 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 -18.005 -7.289 -22.725 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 -18.455 -6.999 -21.935 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 -17.465 -8.029 -22.435 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 11.685 -2.021 18.602 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 11.945 -2.941 18.672 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 11.495 -1.761 19.512 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 -24.824 5.547 3.604 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 -24.394 5.527 4.464 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 -24.114 5.497 2.974 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 3.045 -5.358 -25.250 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 2.435 -5.717 -24.600 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 3.905 -5.488 -24.860 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 18.386 10.179 5.890 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 18.686 11.069 6.040 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 19.126 9.739 5.480 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 1.071 15.802 -15.081 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 1.890 15.872 -15.571 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 1.101 16.552 -14.481 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 3.276 2.245 -24.648 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 3.336 2.515 -25.568 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 3.856 2.855 -24.188 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 10.781 3.726 23.613 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 9.881 3.616 23.313 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 10.770 4.546 24.113 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 -15.438 -20.669 -6.660 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 -15.918 -21.509 -6.640 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 -16.098 -20.019 -6.410 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 19.896 -1.147 10.722 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 19.076 -1.447 11.102 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 20.006 -0.247 11.052 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 17.407 -17.138 -9.457 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 18.267 -17.098 -9.887 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 16.817 -16.688 -10.067 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 -9.303 -14.017 -12.110 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 -8.393 -14.197 -11.880 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 -9.703 -14.887 -12.190 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 24.408 18.439 -11.092 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 24.868 18.309 -10.262 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 23.858 19.209 -10.942 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 15.269 1.959 -22.000 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 14.759 1.479 -22.650 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 15.009 2.869 -22.130 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 -21.199 -11.863 -11.947 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 -21.979 -11.483 -12.347 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 -21.459 -12.753 -11.697 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 19.239 4.380 -22.277 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 18.959 5.220 -22.637 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 20.119 4.260 -22.627 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 -9.137 -23.072 -18.512 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 -9.487 -23.012 -19.402 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 -8.367 -22.502 -18.522 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 -21.204 13.914 2.826 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 -20.924 14.674 3.336 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 -21.724 14.274 2.116 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -15.595 -10.755 -6.330 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -15.545 -11.305 -7.110 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -14.795 -10.225 -6.360 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 -10.418 -21.141 13.898 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 -10.218 -20.221 14.038 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 -11.318 -21.251 14.218 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 -23.336 -22.867 11.222 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 -23.986 -22.227 10.932 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 -22.736 -22.367 11.772 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 23.072 -0.805 2.667 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 23.872 -1.335 2.647 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 22.542 -1.195 3.357 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 11.011 19.396 -19.359 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 10.921 19.306 -18.409 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 11.300 20.296 -19.489 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 22.456 -10.252 10.883 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 21.616 -10.572 10.563 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 22.506 -10.572 11.783 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -7.062 15.278 -13.598 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -6.522 14.588 -13.978 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -6.482 15.718 -12.968 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 17.068 -17.729 -12.741 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 17.098 -17.759 -13.691 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 16.448 -17.029 -12.541 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 2.674 11.805 -23.493 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 3.064 11.775 -24.373 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 3.384 12.115 -22.933 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 -12.258 -19.018 -9.812 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 -13.148 -19.288 -9.622 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 -12.028 -19.458 -10.632 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 13.978 -1.123 21.706 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 14.808 -1.253 21.246 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 13.668 -0.273 21.406 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 10.715 -0.408 24.571 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 10.325 0.272 25.131 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 10.785 -1.178 25.131 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 17.815 -2.682 0.578 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 17.245 -2.522 -0.182 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 18.025 -3.612 0.528 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 -24.536 -10.863 3.953 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 -24.966 -10.443 4.693 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 -25.246 -11.333 3.503 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 21.897 22.473 -8.410 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 21.207 23.083 -8.140 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 21.917 21.813 -7.720 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 -22.201 10.443 6.802 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 -21.431 10.963 6.582 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 -22.901 10.823 6.282 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -13.078 -23.600 5.795 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -12.578 -24.290 6.245 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -13.918 -24.010 5.585 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 -2.068 -11.946 -15.545 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 -1.958 -12.306 -14.665 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 -2.758 -11.296 -15.455 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 17.536 0.227 0.257 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 17.736 -0.703 0.317 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 18.206 0.587 -0.323 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 -4.403 7.098 9.268 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 -4.403 7.368 10.188 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 -3.483 6.908 9.078 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 -6.245 12.390 16.186 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 -5.705 12.350 15.396 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 -7.145 12.400 15.866 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 -17.388 1.116 -24.447 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 -16.838 0.376 -24.187 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 -17.928 1.296 -23.677 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 12.118 6.928 -24.368 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 11.268 6.808 -23.938 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 12.438 6.038 -24.518 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 22.364 16.241 -0.105 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 21.644 15.711 0.225 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 23.154 15.781 0.185 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 17.556 -20.419 18.374 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 17.426 -20.219 19.294 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 16.946 -21.129 18.184 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 18.848 16.911 -9.168 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 19.768 17.151 -9.218 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 18.388 17.641 -9.588 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 6.257 10.737 12.999 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 6.517 11.367 13.679 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 5.377 10.457 13.259 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -2.204 12.940 18.026 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -3.164 12.970 18.076 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -2.004 13.150 17.116 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 2.286 -8.142 6.440 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 2.756 -7.802 7.200 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 1.506 -7.592 6.370 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 19.134 9.833 20.043 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 18.484 9.683 19.353 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 19.334 8.963 20.383 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -17.104 -6.091 -14.398 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -17.314 -6.471 -15.248 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -17.154 -5.151 -14.538 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -20.348 -9.753 -16.174 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -19.658 -10.023 -16.774 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -20.698 -10.563 -15.804 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 11.082 -17.909 24.644 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 10.142 -18.079 24.614 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 11.432 -18.609 25.194 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 20.501 -5.943 -8.985 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 19.641 -5.793 -8.595 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 21.041 -5.223 -8.665 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 20.415 -11.150 1.740 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 19.815 -11.820 2.070 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 21.035 -11.630 1.190 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 -7.118 -11.372 -23.868 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 -7.628 -12.092 -23.498 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 -7.018 -11.602 -24.798 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 15.799 -22.478 23.589 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 15.729 -23.128 24.289 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 14.929 -22.078 23.559 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 -5.339 9.660 18.859 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 -5.589 9.150 19.629 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 -4.389 9.550 18.789 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -22.163 24.531 -12.939 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -21.973 25.051 -12.159 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -21.773 23.671 -12.759 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 -19.906 -17.097 6.880 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 -19.666 -17.877 7.390 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 -20.426 -17.437 6.150 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 0.978 -8.765 -4.230 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 0.348 -8.485 -3.570 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 0.548 -9.485 -4.690 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -14.793 3.555 1.643 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -15.723 3.335 1.643 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -14.753 4.435 2.023 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 12.559 3.875 21.673 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 11.979 4.055 22.413 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 13.219 4.555 21.713 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -24.943 20.491 15.215 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -25.873 20.241 15.255 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -24.673 20.261 14.325 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 18.027 2.144 12.871 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 17.607 2.844 12.351 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 17.287 1.624 13.191 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 10.995 -13.046 -23.571 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 10.405 -13.346 -22.881 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 11.855 -13.346 -23.291 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 -23.138 -15.005 -0.657 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 -23.038 -14.835 0.273 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 -22.338 -15.485 -0.907 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 3.274 8.861 5.753 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 2.464 8.771 5.253 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 3.664 7.991 5.753 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -14.077 22.341 20.313 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -13.687 22.151 21.163 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -14.187 23.291 20.303 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 4.175 21.796 25.270 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 4.035 21.236 24.510 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 5.125 21.926 25.300 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 -14.494 7.322 -22.410 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 -15.284 7.772 -22.120 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 -14.444 6.542 -21.880 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 -2.481 -9.232 15.237 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 -2.631 -8.512 14.617 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 -1.851 -8.872 15.867 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 22.545 -8.553 -24.518 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 21.955 -9.293 -24.318 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 22.645 -8.583 -25.468 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 -3.663 13.089 -2.110 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 -4.443 12.839 -2.600 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 -3.873 12.879 -1.200 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 -16.277 12.021 -11.490 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 -16.237 12.951 -11.270 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 -16.787 12.001 -12.300 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 7.424 4.771 -18.918 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 8.044 5.001 -19.608 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 6.584 4.691 -19.358 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 -6.244 -16.568 -15.514 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 -5.744 -15.838 -15.874 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 -5.594 -17.108 -15.064 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 0.243 -6.598 20.203 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 0.273 -5.698 20.513 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 0.563 -6.558 19.303 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 22.773 -16.883 22.953 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 22.963 -17.313 22.113 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 21.863 -16.603 22.883 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 11.946 19.219 -8.755 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 12.706 18.989 -8.205 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 11.216 18.749 -8.355 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 -21.973 9.142 -16.866 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 -22.923 9.232 -16.846 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 -21.643 9.942 -16.446 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 -21.204 3.169 -23.907 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 -20.904 2.569 -24.597 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 -22.164 3.139 -23.967 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 -8.237 -12.709 12.811 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 -7.937 -12.019 13.401 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 -8.107 -12.349 11.931 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 -15.108 -3.658 18.355 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 -15.368 -2.838 17.935 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 -14.158 -3.618 18.385 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 15.422 -23.659 -17.068 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 15.072 -24.509 -17.318 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 14.962 -23.449 -16.248 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 24.055 5.304 14.744 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 23.155 5.104 14.464 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 24.495 4.454 14.774 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 -7.488 -4.226 -18.871 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 -7.568 -3.536 -18.211 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 -8.358 -4.306 -19.251 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -22.382 4.857 11.647 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -22.312 5.767 11.367 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -21.912 4.827 12.477 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 -10.965 12.883 -5.880 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 -11.015 13.383 -5.070 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 -10.295 13.313 -6.400 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -10.264 -3.057 -22.337 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -10.164 -2.107 -22.367 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -10.624 -3.287 -23.197 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 9.405 23.623 2.910 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 9.725 22.843 3.360 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 10.185 24.173 2.800 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -8.545 20.986 22.785 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -8.445 20.246 22.195 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -9.255 20.736 23.385 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 -17.406 -5.537 13.169 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 -16.626 -6.047 13.389 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 -18.086 -5.877 13.739 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 20.422 14.505 0.437 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 20.622 14.165 1.307 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 19.612 15.005 0.557 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 20.167 24.852 -6.340 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 20.507 24.012 -6.010 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 19.217 24.772 -6.230 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 0.242 -15.908 3.756 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 0.082 -14.998 3.506 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 0.422 -16.358 2.926 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 8.315 -20.157 -6.787 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 7.545 -20.567 -7.177 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 8.345 -20.497 -5.887 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 -10.935 -14.065 -3.110 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 -10.835 -13.505 -3.890 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 -10.865 -14.955 -3.440 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 2.854 1.854 0.169 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 2.844 2.364 -0.641 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 3.694 1.394 0.149 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 7.905 9.643 -13.580 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 8.215 8.753 -13.750 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 8.035 10.103 -14.410 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 -14.691 -14.996 -19.293 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 -14.391 -15.496 -18.543 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 -15.471 -15.466 -19.593 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 23.518 -4.071 15.122 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 24.358 -4.471 15.342 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 23.008 -4.131 15.932 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 -22.669 -24.538 2.176 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 -22.849 -23.598 2.076 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 -23.499 -24.898 2.506 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 23.683 5.915 -23.911 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 22.903 5.825 -23.351 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 24.383 5.475 -23.421 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 -4.625 0.925 2.139 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 -5.395 1.375 2.499 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 -4.925 0.585 1.289 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 22.113 -20.765 -0.802 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 22.203 -21.045 -1.712 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 21.803 -19.855 -0.862 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 15.469 -21.131 -20.750 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 15.489 -20.381 -20.140 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 14.549 -21.411 -20.750 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 11.881 23.634 20.957 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 11.351 23.624 20.157 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 12.331 22.794 20.967 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 3.496 2.037 -4.721 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 3.396 2.937 -5.041 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 2.676 1.607 -4.951 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 23.419 12.013 23.707 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 22.489 12.213 23.837 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 23.679 11.583 24.527 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 -11.308 1.674 8.564 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 -11.638 1.344 7.724 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 -12.068 1.634 9.144 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 6.414 -12.331 11.585 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 6.894 -12.091 12.375 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 5.504 -12.141 11.785 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 0.424 -12.577 11.796 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 0.224 -12.817 12.696 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 0.554 -13.417 11.346 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 2.457 24.073 -13.157 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 3.147 24.733 -13.097 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 2.727 23.523 -13.897 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 3.577 24.917 -6.414 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 4.167 25.097 -5.684 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 3.447 25.767 -6.834 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 16.909 11.642 -3.652 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 16.439 10.952 -3.192 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 17.699 11.782 -3.122 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 8.192 -12.412 -11.788 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 8.762 -12.002 -12.438 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 8.792 -12.912 -11.228 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 -19.148 -1.612 -16.469 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 -19.548 -2.332 -16.959 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 -18.568 -1.182 -17.099 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 2.639 7.712 22.205 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 3.539 7.412 22.065 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 2.689 8.662 22.145 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 17.468 -14.659 -17.488 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 16.758 -15.229 -17.768 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 17.978 -14.499 -18.278 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 21.609 -14.136 -21.858 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 21.429 -14.496 -22.728 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 22.009 -14.866 -21.378 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 18.121 -14.489 7.956 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 17.461 -13.949 8.386 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 17.681 -14.839 7.186 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 -2.771 10.472 -8.904 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 -3.281 11.282 -8.964 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 -2.401 10.472 -8.024 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 -19.226 -18.401 -18.567 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 -19.136 -18.991 -19.317 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 -19.846 -18.851 -17.987 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 18.997 -2.288 -12.209 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 18.747 -1.388 -12.019 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 18.977 -2.348 -13.169 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 0.993 17.635 -20.324 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 0.293 17.625 -20.964 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 1.363 16.755 -20.354 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -24.035 -2.601 13.698 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -23.685 -1.801 13.318 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -24.975 -2.551 13.528 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -10.261 10.053 21.018 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -9.881 10.443 21.808 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -11.071 9.633 21.318 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 9.876 -14.253 -1.453 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 9.986 -15.173 -1.193 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 9.606 -14.293 -2.373 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -9.068 -6.975 -6.096 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -8.198 -6.695 -5.816 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -9.278 -6.415 -6.846 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 17.612 -4.927 20.103 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 17.362 -4.357 20.823 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 18.352 -4.487 19.683 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 -11.504 -7.280 -17.774 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 -11.804 -7.270 -18.684 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 -10.564 -7.430 -17.834 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 18.139 -15.733 24.571 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 18.689 -15.093 25.031 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 18.539 -15.823 23.711 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -2.696 -24.621 12.310 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -2.076 -24.801 13.010 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -2.176 -24.711 11.500 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -20.374 -7.117 -1.184 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -19.654 -7.337 -1.784 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -20.144 -7.557 -0.364 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 8.718 9.316 -6.704 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 8.528 9.996 -6.064 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 7.898 8.836 -6.804 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 16.166 -1.755 9.417 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 17.036 -2.135 9.357 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 16.296 -0.815 9.257 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 23.647 8.738 -18.096 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 24.157 9.418 -17.656 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 24.187 7.948 -18.026 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 -12.969 9.828 -0.051 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 -13.270 10.088 -0.921 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 -13.399 8.988 0.109 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 13.061 -13.836 20.810 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 13.930 -14.186 21.020 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 12.881 -13.206 21.510 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 -22.118 -16.781 -3.039 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 -22.998 -16.401 -3.149 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 -22.278 -17.711 -2.849 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 1.693 -19.943 -17.194 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 1.883 -19.053 -17.484 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 2.003 -19.973 -16.284 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 -17.592 19.259 -19.507 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 -17.762 20.189 -19.657 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 -18.452 18.869 -19.387 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -7.311 14.785 18.413 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -7.651 15.575 18.833 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -7.421 14.105 19.073 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 -25.093 0.414 -21.620 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 -24.343 0.924 -21.900 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 -24.923 0.224 -20.690 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 16.737 23.251 0.496 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 15.867 23.561 0.756 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 16.937 22.541 1.116 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 5.438 -11.177 1.154 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 4.548 -11.507 1.304 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 5.848 -11.847 0.614 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 2.457 7.391 19.340 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 2.617 7.571 20.270 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 1.717 7.951 19.120 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 -9.324 12.339 -0.570 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 -8.594 12.949 -0.560 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 -10.094 12.879 -0.390 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 -3.782 4.049 21.814 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 -3.532 4.399 20.964 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 -2.952 3.939 22.284 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 -9.173 12.706 20.088 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 -9.983 12.226 20.198 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 -9.343 13.576 20.458 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 -23.411 -18.764 -7.996 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 -23.441 -19.284 -7.196 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 -24.151 -19.084 -8.516 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 -7.693 -9.252 -13.613 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 -6.803 -9.592 -13.713 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 -8.233 -9.812 -14.173 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 -0.016 -11.650 6.966 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 0.374 -10.950 7.486 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 0.294 -12.450 7.366 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 -22.813 -21.219 16.564 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 -23.473 -21.069 15.894 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 -23.303 -21.599 17.304 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 -2.557 -7.292 13.213 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 -2.317 -7.092 12.313 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 -1.817 -6.972 13.733 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 -9.858 4.673 -21.571 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 -9.548 3.773 -21.721 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 -9.778 4.803 -20.631 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 -7.287 -23.268 9.136 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 -6.777 -22.468 8.976 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 -8.007 -23.228 8.496 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -2.128 5.388 -2.294 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -2.138 4.518 -1.904 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -2.838 5.368 -2.934 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 -0.228 -8.191 23.556 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 -0.838 -7.551 23.196 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 -0.788 -8.941 23.786 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 18.843 -21.694 3.403 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 18.133 -22.024 3.953 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 18.403 -21.284 2.663 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 -12.858 -0.906 25.186 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 -12.528 -0.026 25.016 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 -13.778 -0.876 24.906 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 -18.541 -8.723 -13.229 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 -17.841 -8.313 -13.729 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 -18.801 -8.053 -12.589 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 2.014 -14.781 -9.782 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 1.824 -15.581 -9.292 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 1.594 -14.931 -10.632 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -14.787 2.042 -18.408 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -15.027 2.332 -19.288 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -13.947 1.602 -18.518 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 -1.953 10.257 2.450 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 -2.183 9.367 2.730 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 -1.003 10.307 2.560 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 -5.547 -21.168 -5.451 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 -5.787 -20.288 -5.171 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 -4.827 -21.038 -6.071 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 17.982 5.792 -11.014 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 18.112 5.762 -10.074 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 18.582 6.482 -11.314 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 8.778 -12.756 23.045 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 9.228 -13.586 23.135 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 7.848 -12.986 23.075 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 18.233 9.013 -15.450 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 18.823 9.343 -16.130 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 18.783 8.453 -14.910 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -17.573 22.245 -20.045 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -17.023 22.705 -20.675 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -17.023 22.165 -19.265 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 -20.177 25.319 4.196 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 -20.497 24.749 3.496 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 -20.937 25.449 4.766 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 9.741 -9.072 -14.484 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 8.951 -9.602 -14.404 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 9.581 -8.312 -13.924 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 14.029 0.064 6.498 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 13.249 0.344 6.028 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 14.259 0.804 7.048 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 -15.886 -3.985 -9.675 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 -16.626 -4.575 -9.505 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 -15.396 -3.965 -8.855 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 0.702 8.140 -1.024 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 0.392 8.940 -1.454 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 0.502 7.440 -1.634 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 5.969 2.272 -7.857 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 5.519 2.932 -7.337 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 5.769 1.442 -7.427 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 11.022 -2.990 -19.306 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 11.822 -3.370 -18.956 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 10.772 -2.330 -18.656 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 20.124 20.485 24.267 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 21.034 20.225 24.157 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 20.154 21.215 24.877 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 -7.489 -0.264 15.547 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 -7.239 0.616 15.247 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 -8.099 -0.114 16.267 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 22.856 -5.833 12.524 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 22.766 -5.203 13.244 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 22.516 -6.653 12.884 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 7.799 24.863 -0.128 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 6.999 24.433 -0.438 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 7.529 25.753 0.062 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 22.435 -11.976 22.631 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 21.535 -11.676 22.781 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 22.865 -11.846 23.481 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 3.933 -22.161 11.446 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 3.803 -23.101 11.566 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 4.883 -22.041 11.516 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 17.897 -1.907 21.920 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 17.837 -1.817 22.870 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 18.767 -1.567 21.700 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 -12.632 20.737 -8.697 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 -13.412 21.007 -9.187 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 -12.022 21.467 -8.797 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 20.179 -1.580 -19.120 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 20.169 -1.670 -18.170 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 20.689 -2.330 -19.430 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 17.266 3.944 6.448 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 16.856 3.224 6.928 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 16.606 4.634 6.438 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 11.493 -19.388 -23.480 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 12.293 -19.868 -23.220 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 10.783 -19.978 -23.230 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 -8.393 8.960 23.889 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 -8.283 8.260 23.249 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 -7.553 9.410 23.909 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 7.759 -15.996 -23.808 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 6.909 -15.926 -24.238 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 7.579 -15.866 -22.878 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 -6.876 -22.143 20.369 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 -7.396 -22.533 21.059 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 -7.106 -22.633 19.579 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 18.362 4.923 24.397 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 18.922 5.063 25.157 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 18.922 4.473 23.767 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 -0.817 3.074 14.390 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 -0.207 2.474 13.960 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 -1.037 3.714 13.720 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 24.119 -7.495 -2.754 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 24.199 -6.585 -2.464 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 23.579 -7.445 -3.544 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 -12.386 -16.871 1.637 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 -11.576 -17.371 1.737 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 -12.406 -16.281 2.387 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 21.899 22.377 -20.111 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 22.199 22.007 -20.941 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 22.529 23.067 -19.911 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 -5.495 12.299 20.687 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 -5.315 11.839 19.867 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 -5.475 13.219 20.457 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 18.468 20.442 6.225 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 19.388 20.152 6.225 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 18.518 21.392 6.265 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 19.294 -17.973 -10.934 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 18.584 -18.143 -11.554 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 19.604 -18.843 -10.684 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 4.551 -7.926 4.611 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 4.131 -8.256 5.401 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 3.891 -8.016 3.921 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -21.132 9.215 1.865 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -20.442 8.625 1.555 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -21.892 9.005 1.325 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 13.179 -20.894 -10.656 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 13.379 -21.374 -11.456 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 13.559 -20.034 -10.786 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 21.988 -13.835 6.889 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 21.558 -14.435 7.499 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 21.568 -12.985 7.059 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 -9.681 21.094 -10.754 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 -9.071 20.624 -11.324 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 -10.551 20.804 -11.024 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 -23.901 -9.071 -20.119 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 -24.091 -9.281 -21.029 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 -24.021 -9.901 -19.649 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 -5.906 -14.113 2.271 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 -6.416 -14.543 2.951 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 -5.006 -14.133 2.591 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 -1.153 2.506 -21.053 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 -0.303 2.566 -20.623 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 -0.953 2.466 -21.983 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -4.617 -22.179 9.636 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -4.347 -23.039 9.296 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -4.087 -21.549 9.146 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 19.439 -12.560 21.191 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 19.309 -12.780 22.121 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 18.589 -12.220 20.901 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -25.286 6.326 17.885 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -25.766 6.826 17.215 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -24.476 6.046 17.445 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 -23.118 21.779 6.333 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 -23.948 21.639 6.783 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 -22.798 20.899 6.143 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 21.933 -5.059 -2.331 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 22.613 -4.409 -2.131 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 21.373 -5.059 -1.551 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 7.469 -0.406 -22.795 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 7.439 0.014 -23.655 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 6.959 0.164 -22.225 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 5.778 -2.608 1.856 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 5.868 -1.838 2.426 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 6.018 -2.298 0.986 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 18.653 2.650 -9.504 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 17.723 2.480 -9.404 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 18.713 3.270 -10.234 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 11.191 -2.678 8.631 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 11.400 -2.278 7.781 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 11.951 -2.458 9.181 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 13.247 -20.139 -2.698 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 13.937 -20.669 -2.298 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 12.577 -20.759 -2.968 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 4.942 20.285 9.498 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 5.082 20.675 8.628 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 5.712 20.535 9.998 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 -24.685 1.320 -3.999 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 -24.855 0.650 -3.339 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 -25.325 1.140 -4.699 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -0.276 -3.767 -15.894 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -0.916 -3.757 -15.174 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -0.046 -2.847 -16.014 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 8.531 -20.584 -4.155 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 8.661 -21.524 -3.995 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 9.421 -20.244 -4.265 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -17.818 8.557 -6.910 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -17.548 7.657 -7.080 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -17.378 8.797 -6.100 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 -24.302 -5.358 15.343 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 -24.192 -4.738 14.613 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 -23.492 -5.288 15.843 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 -5.949 -13.417 -10.774 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 -5.779 -14.357 -10.774 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 -5.159 -13.027 -10.404 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 -18.737 -0.917 12.173 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 -18.827 -1.087 11.243 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 -18.207 -1.637 12.513 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 19.268 1.716 1.929 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 18.668 1.396 1.259 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 18.868 1.446 2.759 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 14.756 -1.820 0.946 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 14.406 -1.280 0.236 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 14.806 -2.700 0.586 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -22.417 18.462 -8.769 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -23.027 17.743 -8.909 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -22.637 18.792 -7.899 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 3.719 -18.675 6.856 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 3.479 -17.925 6.306 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 3.199 -19.395 6.506 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 10.693 14.257 -22.243 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 11.523 14.307 -21.783 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 10.403 15.167 -22.313 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -23.356 -1.821 20.440 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -23.056 -1.401 19.640 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -23.666 -1.091 20.990 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 -8.851 -17.528 -8.195 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 -8.381 -17.898 -7.445 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 -9.571 -18.138 -8.355 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -16.195 -17.610 24.040 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -15.905 -17.530 24.950 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -16.685 -18.430 24.010 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -4.117 24.180 18.333 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -4.577 24.890 17.873 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -3.557 24.640 18.953 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 19.605 2.322 -2.314 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 20.005 3.102 -2.684 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 20.305 1.662 -2.304 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 23.001 -2.022 -1.212 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 22.271 -1.922 -0.592 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 23.441 -1.172 -1.192 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 24.358 7.156 24.216 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 24.108 6.656 24.996 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 25.148 7.636 24.486 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 4.519 -13.161 -25.135 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 4.079 -14.011 -25.035 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 3.959 -12.541 -24.675 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 -22.405 20.873 16.780 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 -23.315 20.603 16.850 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 -22.235 20.933 15.840 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -24.916 -16.038 -17.054 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -24.886 -16.988 -16.984 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -24.156 -15.738 -16.534 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 4.142 7.764 -2.347 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 5.012 7.744 -1.947 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 3.722 8.524 -1.967 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 -11.548 24.071 13.191 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 -11.188 23.811 12.351 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 -11.398 23.331 13.771 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 17.593 24.917 -5.835 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 17.713 25.867 -5.905 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 16.643 24.797 -5.755 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 12.675 -6.476 -12.347 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 13.625 -6.616 -12.377 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 12.555 -5.536 -12.507 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 12.761 -12.289 -13.560 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 12.101 -12.869 -13.190 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 12.461 -12.119 -14.450 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 -4.408 -5.025 -18.978 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 -5.278 -4.655 -19.088 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 -3.808 -4.305 -19.178 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 18.212 -9.995 0.610 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 17.962 -10.725 0.040 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 18.962 -10.325 1.120 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 6.238 -12.540 -6.272 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 5.378 -12.270 -5.972 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 6.428 -13.330 -5.762 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 22.943 20.687 -22.306 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 22.983 21.387 -22.956 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 23.763 20.207 -22.406 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -20.449 -7.294 -12.001 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -20.389 -6.964 -11.101 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -21.369 -7.204 -12.231 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 16.066 17.062 19.029 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 16.016 16.622 19.869 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 16.996 17.272 18.919 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 -4.789 20.589 -18.686 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 -4.119 20.839 -19.336 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 -5.119 21.429 -18.356 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 24.413 9.803 -22.291 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 23.873 9.243 -21.721 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 25.053 9.203 -22.671 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 15.983 -8.387 1.086 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 15.503 -8.107 0.306 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 16.333 -9.247 0.856 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -13.583 25.476 -9.746 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -13.423 25.276 -10.666 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 -14.143 24.756 -9.446 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -1.757 -19.486 20.915 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -2.617 -19.786 21.195 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -1.687 -19.766 20.005 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 16.556 -11.004 -12.124 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 16.676 -11.214 -13.044 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 16.026 -11.714 -11.774 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 -0.903 -11.854 0.579 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 -0.183 -11.234 0.649 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 -0.793 -12.264 -0.281 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 -3.029 -24.198 24.741 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 -2.420 -23.468 24.821 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 -2.809 -24.608 23.901 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 -2.554 -6.196 -11.478 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 -2.404 -5.296 -11.778 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 -1.734 -6.446 -11.058 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 25.124 -19.002 15.292 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 25.474 -19.822 14.932 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 24.644 -19.272 16.072 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 -9.709 3.838 8.626 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 -8.960 3.388 8.246 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 -10.329 3.138 8.846 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 -15.371 3.058 19.919 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 -16.111 2.738 20.429 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 -14.611 2.628 20.309 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -7.424 17.428 16.332 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -6.594 17.318 16.792 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -7.504 16.648 15.782 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 -16.761 -8.817 19.713 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 -16.111 -9.437 19.373 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 -16.361 -7.957 19.603 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 -16.608 -15.408 -5.197 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 -16.948 -15.028 -6.007 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 -17.128 -16.208 -5.077 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -20.184 12.799 -8.284 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -19.594 13.479 -7.934 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -19.594 12.149 -8.654 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -17.046 -15.188 18.868 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -17.336 -15.738 19.598 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -16.166 -14.898 19.118 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -22.482 23.470 -17.498 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -23.262 23.730 -17.008 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -21.752 23.730 -16.938 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 -4.233 -17.188 -17.010 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 -4.523 -16.308 -17.250 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 -5.043 -17.698 -16.920 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 -16.563 20.031 16.613 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 -17.073 19.271 16.893 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 -16.453 19.911 15.663 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -21.781 -8.585 15.368 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -21.911 -8.275 14.478 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -21.841 -7.795 15.908 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 -5.100 15.539 12.218 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 -6.019 15.389 12.418 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 -4.859 16.299 12.758 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 24.193 23.775 -8.785 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 23.393 23.245 -8.835 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 23.963 24.595 -9.225 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 6.091 -24.738 -7.920 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 5.701 -24.918 -8.780 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 6.031 -23.788 -7.820 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 24.838 -9.728 22.206 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 24.338 -10.478 22.506 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 25.168 -9.318 23.016 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 6.515 -7.457 11.457 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 6.675 -6.537 11.637 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 7.185 -7.918 11.967 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 9.575 17.317 22.080 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 9.425 18.267 22.030 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 9.965 17.097 21.230 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 17.056 -22.906 16.925 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 16.836 -23.646 16.365 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 17.926 -22.636 16.635 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 12.668 23.137 2.754 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 12.878 23.607 3.564 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 13.068 22.277 2.864 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -25.379 -22.561 -7.020 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -24.649 -22.741 -6.440 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -25.469 -23.361 -7.540 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 -19.373 -7.147 -19.039 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 -19.083 -6.397 -19.549 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 -20.243 -6.897 -18.719 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 -22.003 14.921 16.417 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 -22.783 14.371 16.317 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 -22.253 15.761 16.047 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -11.868 4.032 12.259 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -11.828 4.862 11.779 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -12.228 3.412 11.639 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 -4.923 -9.608 20.597 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 -5.653 -9.288 21.137 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 -4.163 -9.118 20.907 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 -19.608 17.328 -10.074 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 -20.498 17.558 -9.794 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 -19.178 17.018 -9.274 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 -18.881 17.043 -16.634 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 -18.071 17.493 -16.384 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 -19.571 17.513 -16.154 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 13.183 -4.533 25.356 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 13.553 -5.303 24.926 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 13.243 -3.833 24.706 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -1.247 -16.119 11.348 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -0.597 -16.799 11.168 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -1.277 -15.599 10.548 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 -6.993 -1.785 -13.337 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 -7.693 -2.315 -12.967 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 -6.953 -1.005 -12.787 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 14.617 9.470 16.324 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 15.477 9.870 16.224 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 14.027 10.210 16.454 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 21.576 14.998 14.892 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 22.106 14.408 14.362 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 20.926 14.428 15.312 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 -17.515 19.888 10.090 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 -16.825 20.498 9.840 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 -18.315 20.258 9.730 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -15.079 -8.772 23.435 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -15.689 -8.362 22.825 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -15.619 -8.992 24.195 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 -20.161 11.730 -18.095 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 -20.231 12.630 -17.785 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 -20.371 11.780 -19.025 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 12.464 -15.185 -5.983 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 12.094 -15.245 -5.103 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 13.294 -14.725 -5.863 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -3.172 -14.782 2.790 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -2.322 -14.552 2.430 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -3.272 -14.232 3.560 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 -3.959 -3.148 23.504 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 -3.309 -2.718 24.064 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 -4.369 -2.438 23.024 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 -5.894 -6.028 16.068 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 -5.054 -5.648 15.828 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 -6.084 -6.648 15.368 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 15.919 25.414 -22.314 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 16.489 26.114 -22.644 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 16.479 24.644 -22.284 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 21.556 9.452 -16.897 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 22.296 9.182 -17.437 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 21.836 10.282 -16.517 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 -6.518 2.212 24.353 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 -5.568 2.362 24.393 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 -6.788 2.632 23.533 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 -19.938 1.150 -2.591 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 -19.058 0.920 -2.291 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 -20.388 0.310 -2.681 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 20.821 -19.836 2.926 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 21.491 -20.056 3.566 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 20.211 -20.566 2.956 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -24.547 5.108 -8.519 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -24.317 5.568 -9.329 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -24.247 5.688 -7.819 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -1.956 -5.058 -5.818 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -2.606 -4.908 -6.508 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -1.846 -6.008 -5.788 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 5.634 -20.082 12.316 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 5.934 -20.582 13.076 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 6.384 -20.062 11.726 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -11.288 5.392 -2.244 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -10.418 5.052 -2.464 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -11.868 4.642 -2.314 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 -10.161 19.909 -24.260 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 -10.691 19.679 -23.500 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 -10.201 20.859 -24.310 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 -5.785 4.712 19.380 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 -5.785 5.302 18.620 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 -6.655 4.802 19.750 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 7.317 -15.119 -2.885 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 7.007 -15.209 -3.795 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 7.687 -15.969 -2.675 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -16.241 -12.682 -8.494 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -16.781 -13.102 -9.164 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -15.831 -11.942 -8.954 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 -25.115 -23.183 -17.340 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 -24.285 -22.713 -17.290 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 -25.745 -22.603 -16.920 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -7.014 -15.638 4.769 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -7.394 -16.238 5.409 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -6.384 -15.118 5.279 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 -17.565 24.976 11.180 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 -16.605 24.966 11.170 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 -17.805 24.336 11.840 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 -15.617 -22.377 18.300 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 -15.397 -21.737 18.980 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 -16.367 -22.857 18.670 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 21.655 -21.364 -3.341 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 20.715 -21.414 -3.151 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 21.925 -22.264 -3.491 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 -14.346 13.976 20.727 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 -13.896 13.156 20.897 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 -13.696 14.656 20.917 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 7.918 -7.847 -17.695 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 8.748 -8.307 -17.795 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 8.068 -6.987 -18.085 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 8.787 18.653 7.502 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 8.617 19.263 8.222 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 9.027 17.833 7.942 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 8.642 -7.338 -5.310 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 8.672 -7.308 -6.260 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 9.512 -7.598 -5.040 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 19.613 -3.882 -3.450 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 19.623 -4.342 -4.290 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 20.073 -4.462 -2.850 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 11.148 -24.802 -13.587 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 10.758 -25.432 -14.187 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 10.468 -24.142 -13.457 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -17.961 -9.019 4.269 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -17.281 -9.659 4.469 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -17.571 -8.449 3.609 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 24.083 -22.838 -22.066 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 23.343 -22.568 -21.526 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 24.803 -22.278 -21.766 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 22.056 -7.731 3.036 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 21.406 -7.251 3.546 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 21.716 -8.621 2.976 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 9.405 -2.361 15.866 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 8.695 -2.841 15.446 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 9.025 -1.511 16.076 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 24.555 -11.591 -16.414 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 24.055 -11.161 -17.114 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 23.905 -11.781 -15.734 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 -0.065 9.703 -23.908 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 0.425 10.503 -23.678 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 0.455 9.303 -24.608 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -11.714 21.294 22.438 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -11.024 21.664 21.888 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -11.974 22.024 23.008 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 10.364 20.218 -2.301 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 10.914 19.438 -2.271 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 9.494 19.918 -2.051 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 3.631 2.923 22.470 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 3.370 2.013 22.620 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 4.581 2.883 22.370 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 15.785 2.727 -11.614 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 15.615 3.017 -12.514 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 14.915 2.567 -11.244 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -4.829 13.520 -14.393 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -5.159 12.630 -14.333 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -4.080 13.540 -13.803 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 -22.501 -11.558 10.077 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 -23.221 -12.128 10.337 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 -22.441 -11.658 9.127 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 -9.867 18.580 17.248 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 -9.227 18.050 16.768 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 -10.417 18.960 16.558 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 -22.993 -4.282 8.752 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 -23.023 -3.402 8.372 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 -23.903 -4.592 8.732 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 8.615 -8.865 4.159 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 8.015 -9.555 4.429 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 8.775 -9.035 3.229 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 -17.014 -4.956 22.620 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 -16.254 -5.006 23.210 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 -17.524 -4.206 22.940 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 14.388 -22.005 12.288 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 14.668 -22.905 12.128 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 15.198 -21.515 12.398 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 -4.378 -14.751 11.492 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 -4.758 -15.221 10.752 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 -4.818 -15.111 12.262 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 20.685 -1.472 20.433 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 21.465 -1.572 20.983 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 20.635 -0.532 20.253 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 14.012 -9.591 -13.297 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 14.642 -9.851 -13.967 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 13.562 -10.401 -13.057 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 -3.876 7.592 20.846 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 -2.966 7.312 20.956 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 -4.006 8.252 21.536 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 -23.102 -23.342 -14.982 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 -22.892 -23.582 -15.882 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 -23.642 -24.062 -14.662 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 -15.834 -23.642 4.222 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 -15.544 -22.812 4.612 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 -15.484 -23.622 3.332 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 -21.838 14.421 -19.297 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 -20.898 14.561 -19.367 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 -22.148 14.351 -20.197 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 -22.995 -10.128 12.823 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 -22.795 -9.188 12.763 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 -22.625 -10.498 12.013 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 18.082 -3.812 9.202 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 18.372 -3.912 8.302 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 18.492 -4.552 9.662 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 -8.466 5.246 21.071 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 -8.846 4.716 21.771 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 -9.216 5.486 20.521 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -17.401 -17.146 13.781 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -17.921 -16.926 13.011 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -17.261 -18.096 13.701 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 -12.277 1.835 -19.373 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 -12.327 2.785 -19.383 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 -11.967 1.595 -20.243 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 23.513 23.422 -12.517 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 23.493 23.422 -13.477 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 22.643 23.712 -12.257 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 3.656 25.636 11.922 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 4.176 25.046 12.462 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 2.846 25.156 11.762 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 18.093 25.080 24.778 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 18.263 26.010 24.908 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 17.203 24.940 25.108 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 -12.794 16.457 20.503 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 -13.514 17.077 20.393 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 -12.404 16.387 19.623 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 -24.656 -20.034 7.945 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 -24.136 -19.384 8.415 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 -24.436 -19.894 7.025 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 -2.881 -20.575 12.974 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 -2.421 -19.945 13.534 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 -3.791 -20.275 12.974 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 10.599 1.036 18.791 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 11.059 0.226 18.581 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 11.129 1.456 19.471 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 15.127 -21.934 -4.451 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 15.327 -21.774 -5.371 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 15.037 -21.054 -4.071 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 11.938 19.020 16.756 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 12.128 18.160 16.386 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 12.788 19.360 17.026 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 5.957 8.894 23.366 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 5.227 9.264 22.886 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 6.727 9.084 22.826 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 1.328 -11.577 -11.549 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 1.358 -11.777 -12.489 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 1.368 -10.627 -11.509 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 3.089 21.240 12.240 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 3.789 20.600 12.120 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 2.289 20.750 12.020 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 6.406 -4.187 19.965 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 6.786 -5.037 20.155 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 6.586 -3.667 20.745 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 24.139 0.516 -1.896 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 24.959 0.416 -1.406 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 24.009 1.466 -1.946 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 18.611 2.823 -14.535 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 18.301 2.283 -15.265 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 17.821 3.053 -14.055 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 15.765 21.762 -20.099 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 15.155 22.382 -19.679 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 15.895 21.072 -19.459 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 -14.358 21.802 17.423 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 -15.088 21.192 17.293 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 -14.368 21.972 18.373 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 14.706 -20.881 4.916 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 14.476 -20.051 5.326 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 13.866 -21.321 4.786 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 6.202 -12.176 -9.571 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 6.172 -12.956 -9.021 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 7.132 -12.026 -9.721 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 6.597 -1.944 10.402 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 6.257 -1.104 10.082 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 7.507 -1.784 10.612 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 25.176 -16.376 -1.363 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 25.926 -15.996 -0.923 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 24.686 -15.626 -1.703 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -5.661 18.440 -14.885 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -4.981 17.790 -14.655 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -6.261 17.960 -15.455 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 25.377 -15.279 -12.460 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 24.667 -15.919 -12.530 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 25.007 -14.469 -12.830 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 -20.617 9.653 -23.726 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 -21.007 9.783 -24.596 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 -19.717 9.973 -23.826 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 5.855 3.025 -22.827 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 6.175 2.155 -22.607 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 6.025 3.115 -23.767 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 8.384 9.802 21.635 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 9.294 9.792 21.945 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 8.444 10.112 20.725 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 24.517 -7.649 -17.829 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 24.827 -7.809 -16.929 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 25.157 -8.089 -18.379 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 12.716 -3.922 -22.430 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 11.906 -3.622 -22.010 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 12.456 -4.122 -23.330 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 6.131 -2.512 -20.476 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 6.241 -3.392 -20.836 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 6.430 -1.932 -21.166 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 -10.956 -14.552 20.388 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 -11.706 -14.352 19.818 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 -10.386 -15.092 19.848 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 8.959 21.603 7.249 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 8.969 22.553 7.139 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 8.789 21.473 8.179 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 -17.645 14.032 -13.373 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -16.905 14.022 -13.973 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 -18.035 14.892 -13.483 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 6.736 23.656 4.353 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 7.186 22.856 4.633 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 7.376 24.106 3.793 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 -20.082 -0.160 -24.764 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 -19.962 0.040 -23.834 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 -19.352 0.290 -25.194 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -19.127 -9.762 21.166 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -18.357 -9.712 20.606 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -18.967 -9.102 21.846 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 8.726 -3.783 8.955 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 9.586 -3.633 8.575 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 8.156 -3.153 8.505 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 23.531 12.036 16.765 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 23.501 11.106 16.535 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 22.761 12.186 17.315 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 -8.038 0.969 -4.537 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 -8.658 0.709 -3.857 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 -7.238 1.199 -4.057 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 -19.272 -10.488 -24.488 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 -19.432 -9.928 -25.238 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 -19.882 -10.188 -23.818 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 -14.378 7.251 -0.357 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 -14.558 6.881 0.503 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 -14.118 6.491 -0.887 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 0.802 13.782 21.296 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 0.362 12.972 21.066 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 0.382 14.062 22.106 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 -18.525 11.350 -10.431 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 -18.855 10.500 -10.691 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 -17.875 11.580 -11.091 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 -18.243 -0.239 3.803 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 -17.833 -0.919 4.343 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 -18.413 0.481 4.413 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 -22.728 -4.232 11.702 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 -23.198 -3.572 12.212 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 -22.648 -3.852 10.822 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 -22.983 16.337 -16.859 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 -22.743 15.607 -17.419 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 -23.003 17.097 -17.439 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 12.195 14.638 6.593 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 13.155 14.638 6.583 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 11.965 15.028 7.443 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 14.218 -16.016 22.231 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 14.618 -16.626 21.621 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 13.598 -16.546 22.731 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 22.812 2.754 -0.315 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 22.422 3.494 -0.775 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 23.722 3.024 -0.175 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 -13.063 -1.395 12.286 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 -12.573 -1.135 13.066 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 -13.393 -2.265 12.496 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -19.007 7.864 0.873 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -18.457 7.394 1.503 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -18.727 7.514 0.023 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -16.285 -15.170 -1.891 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -15.525 -14.620 -1.681 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -16.185 -15.370 -2.821 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 21.411 -24.416 15.485 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 21.400 -23.916 16.305 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 22.081 -25.086 15.625 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 24.205 24.659 -5.537 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 23.605 24.249 -4.907 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 24.525 23.929 -6.067 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 -13.639 17.361 13.903 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 -13.049 16.631 14.073 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 -14.449 16.951 13.593 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 -7.096 -9.645 4.523 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 -7.396 -10.535 4.353 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 -6.286 -9.565 4.033 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 16.493 -14.686 -22.524 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 16.643 -14.296 -23.384 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 17.323 -15.126 -22.314 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 -12.478 -6.371 18.093 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 -13.238 -6.901 17.853 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 -12.208 -6.701 18.953 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -15.251 -14.183 23.201 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -14.401 -13.833 23.461 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -15.251 -15.083 23.521 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 -3.124 2.088 5.356 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 -3.954 1.808 4.986 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 -2.554 2.228 4.596 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 -7.448 -11.228 0.272 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 -7.878 -10.858 1.042 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 -7.758 -12.138 0.232 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 6.488 16.299 9.420 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 5.538 16.229 9.470 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 6.798 15.819 10.190 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -4.856 13.278 18.266 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -5.296 14.018 18.676 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -5.486 12.948 17.626 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 -20.150 1.791 -5.621 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 -19.960 1.781 -4.681 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 -20.870 2.411 -5.711 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 -2.913 -0.059 17.673 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 -3.633 -0.549 17.263 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 -3.353 0.581 18.233 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 17.666 -23.921 19.540 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 17.626 -23.731 18.600 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 18.456 -23.461 19.840 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 -7.127 -4.483 -22.351 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 -7.237 -5.433 -22.291 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 -6.577 -4.263 -21.591 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 -8.218 -6.449 -24.195 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 -8.568 -5.619 -24.495 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 -8.638 -7.109 -24.755 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 2.019 21.152 8.893 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 1.969 21.522 8.013 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 2.759 20.552 8.853 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 4.269 3.987 -11.186 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 4.989 3.357 -11.236 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 4.249 4.407 -12.046 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 13.697 -16.908 -24.864 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 12.767 -17.098 -24.944 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 14.027 -17.538 -24.234 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 22.687 -10.636 -14.389 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 22.387 -9.726 -14.459 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 22.177 -11.106 -15.049 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 9.789 17.109 16.230 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 9.269 17.849 15.910 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 10.249 17.449 17.000 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 11.858 22.042 8.884 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 11.218 22.752 8.854 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 12.088 21.962 9.814 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 -16.502 11.234 -21.674 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 -15.692 10.724 -21.724 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 -16.562 11.494 -20.764 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 4.931 10.196 -8.963 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 4.341 9.746 -9.563 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 5.101 9.566 -8.263 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 -11.024 6.746 22.822 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 -10.714 5.896 22.492 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 -11.064 7.306 22.042 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 17.692 -5.157 11.783 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 17.162 -4.357 11.743 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 17.532 -5.507 12.653 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 13.795 2.237 -10.157 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 14.035 2.257 -9.237 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 12.925 1.837 -10.177 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 6.254 -14.067 23.328 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 5.574 -14.597 22.898 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 5.784 -13.587 24.008 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 -20.403 -4.747 12.998 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 -20.993 -4.487 12.278 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 -20.643 -4.177 13.728 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 23.604 11.561 -19.226 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 24.014 11.241 -18.416 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 23.444 10.761 -19.726 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 15.301 19.363 -14.877 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 14.591 18.773 -14.637 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 15.971 18.793 -15.247 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 -16.012 -21.981 -20.627 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 -15.942 -22.031 -21.577 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 -16.302 -22.851 -20.357 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 22.807 13.910 -3.257 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 23.637 14.380 -3.237 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 22.707 13.540 -2.377 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 -5.464 -3.558 7.760 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 -4.654 -4.048 7.830 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 -5.924 -3.718 8.580 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 19.729 5.761 5.165 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 18.819 5.481 5.195 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 19.979 5.861 6.085 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 4.166 -11.157 -11.082 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 4.626 -11.557 -11.822 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 4.666 -11.427 -10.312 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 22.535 -24.145 -8.146 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 22.355 -23.405 -7.566 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 22.475 -24.915 -7.576 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 -8.586 10.999 -2.964 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 -7.956 11.719 -2.934 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 -9.016 11.019 -2.114 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 7.046 -21.137 -13.974 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 6.256 -20.768 -14.364 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 6.896 -21.078 -13.024 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 23.934 -12.663 2.958 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 24.604 -13.273 2.658 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 23.334 -12.583 2.218 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 -9.433 9.832 6.264 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 -8.733 9.592 6.874 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 -10.203 9.362 6.584 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 16.836 4.701 -13.306 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 16.576 5.501 -13.766 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 17.566 4.971 -12.746 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 16.559 -7.649 -9.151 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 16.529 -7.449 -10.091 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 17.059 -6.929 -8.771 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 -6.992 22.842 -24.637 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 -6.812 22.122 -25.237 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 -6.182 23.352 -24.637 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -16.442 -5.592 7.566 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -16.962 -6.302 7.946 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -17.092 -4.932 7.326 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 0.735 -23.231 16.010 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 1.115 -23.021 15.160 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 1.155 -22.631 16.620 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -13.328 23.836 -16.365 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -14.238 23.576 -16.205 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -12.998 23.186 -16.985 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 -5.104 -0.879 -16.565 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 -5.644 -1.549 -16.155 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 -5.234 -0.099 -16.015 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -23.369 22.369 -7.842 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -23.869 22.349 -8.662 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -22.949 21.509 -7.792 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -12.519 -5.275 12.845 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -12.409 -4.775 12.035 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -11.639 -5.565 13.065 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 1.406 1.178 12.899 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 1.736 1.268 13.789 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 2.166 1.368 12.339 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 -2.989 15.576 15.983 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 -2.109 15.456 16.323 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 -3.169 14.766 15.503 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 24.582 -13.373 14.297 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 24.522 -12.493 13.937 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 25.032 -13.883 13.617 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 25.467 -12.701 -20.414 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 25.257 -13.311 -21.124 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 24.807 -12.881 -19.744 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 6.708 16.959 14.007 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 6.568 16.439 14.797 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 6.068 17.669 14.067 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 -20.734 -16.478 -10.948 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 -20.764 -15.998 -10.128 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 -21.634 -16.778 -11.078 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 -16.656 -12.977 -21.007 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 -16.836 -13.737 -21.557 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 -17.456 -12.457 -21.047 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 12.523 6.929 -9.799 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 12.043 6.209 -10.219 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 12.793 6.579 -8.959 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 0.531 5.371 -0.190 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 0.081 5.331 -1.030 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 0.841 6.281 -0.120 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -12.164 -4.776 -8.544 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -12.174 -5.476 -9.204 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -11.314 -4.356 -8.664 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 19.448 6.844 2.664 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 19.738 6.104 3.204 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 19.088 6.434 1.874 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -10.961 13.335 11.746 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -10.391 14.105 11.666 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -10.371 12.635 12.026 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 -8.445 0.102 0.056 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -8.865 0.903 -0.254 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -9.175 -0.497 0.226 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 20.556 -9.508 -11.039 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 20.586 -9.368 -11.979 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 21.246 -8.948 -10.689 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 -18.729 1.482 14.595 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 -19.619 1.162 14.455 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 -18.839 2.392 14.845 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 -5.385 10.932 -13.999 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 -4.855 10.152 -13.869 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 -6.285 10.632 -13.899 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 19.026 -0.038 -14.580 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 19.216 0.802 -15.010 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 19.746 -0.608 -14.840 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 -12.893 -9.818 22.253 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 -13.683 -9.628 22.763 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 -12.203 -9.928 22.903 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 -5.837 16.620 -5.628 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 -5.807 16.750 -6.568 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 -5.607 15.700 -5.508 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 -1.040 -4.198 14.152 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 -1.699 -3.518 14.002 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 -0.369 -4.038 13.492 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 19.046 5.628 15.828 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 19.456 6.428 16.158 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 18.196 5.608 16.258 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 -12.355 -22.552 18.519 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 -11.915 -22.482 19.369 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 -12.445 -21.652 18.219 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 2.344 -12.208 2.523 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 2.594 -13.058 2.153 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 2.974 -12.058 3.223 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 20.631 24.868 12.000 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 20.791 25.308 11.170 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 20.001 25.428 12.450 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 -22.804 14.240 -14.549 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 -22.224 14.100 -13.799 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 -22.234 14.560 -15.239 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 -7.177 8.832 -13.749 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 -6.787 7.963 -13.859 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 -7.137 8.992 -12.809 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 17.905 -19.399 -18.928 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 17.325 -19.519 -18.178 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 17.445 -18.769 -19.488 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 24.839 17.847 13.019 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 25.759 17.727 13.269 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 24.799 17.587 12.099 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 -3.386 -13.495 -1.642 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 -2.486 -13.555 -1.322 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 -3.676 -14.405 -1.702 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 15.799 -9.972 -6.012 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 14.999 -9.702 -6.472 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 16.319 -10.412 -6.682 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 6.653 3.065 2.894 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 6.703 2.335 2.284 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 5.753 3.075 3.204 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 11.693 -16.186 20.598 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 12.283 -16.416 21.318 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 11.763 -15.226 20.538 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 21.097 6.037 9.369 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 20.937 5.257 8.829 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 21.897 5.837 9.849 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 18.074 -9.162 9.082 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 18.704 -8.812 9.712 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 17.254 -9.222 9.572 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 12.884 -20.593 2.635 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 12.524 -20.893 1.795 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 13.754 -20.993 2.675 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 -9.144 -0.766 -10.455 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 -9.564 -0.016 -10.045 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 -8.734 -0.416 -11.245 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 -12.183 -6.328 -2.776 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 -11.473 -6.388 -3.416 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 -12.873 -6.878 -3.136 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 24.911 -23.249 21.403 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 25.721 -23.499 21.833 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 24.311 -23.989 21.573 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 -22.041 -9.291 -5.838 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 -21.121 -9.121 -6.068 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 -22.001 -10.081 -5.298 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 19.705 -3.100 23.884 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 18.765 -3.260 23.814 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 19.935 -3.380 24.764 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 12.987 13.404 -17.393 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 13.457 12.864 -16.763 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 12.987 14.284 -17.003 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -10.677 24.767 -10.918 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -11.117 25.597 -11.078 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -10.307 24.517 -11.768 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 -7.857 -0.157 20.010 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 -7.607 -0.947 20.490 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 -8.157 0.453 20.690 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 1.738 24.245 5.234 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 1.028 23.895 4.694 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 2.258 24.775 4.634 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 20.463 -14.198 -6.105 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 20.563 -13.878 -7.005 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 19.623 -14.658 -6.105 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 -22.142 4.534 23.483 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 -22.322 5.274 24.053 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 -22.272 3.754 24.033 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 11.971 -10.617 -15.899 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 12.241 -9.747 -16.189 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 11.261 -10.467 -15.289 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 -21.272 23.032 24.996 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 -20.422 22.862 25.406 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 -21.082 23.072 24.066 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 19.567 -18.954 -21.442 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 20.147 -18.204 -21.322 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 19.027 -18.984 -20.652 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 4.147 6.924 3.881 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 4.357 6.424 3.091 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 3.767 7.734 3.551 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -0.017 15.299 10.522 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 0.273 16.059 10.012 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -0.597 15.669 11.192 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 0.475 -2.515 11.849 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 0.755 -3.365 11.529 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 1.095 -2.315 12.549 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 8.253 -12.748 9.337 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 8.403 -12.088 8.657 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 7.313 -12.708 9.507 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 24.943 -20.988 -3.016 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 24.003 -21.158 -3.146 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 24.963 -20.298 -2.346 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 -22.494 -6.095 17.471 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 -23.304 -5.805 17.891 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 -21.804 -5.795 18.061 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 -1.947 2.574 -4.024 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 -2.547 3.224 -4.384 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 -2.297 2.374 -3.154 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 14.118 16.146 -16.467 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 14.758 16.846 -16.567 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 14.628 15.386 -16.207 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 15.147 8.972 25.214 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 15.347 8.372 24.494 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 15.967 9.442 25.364 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 9.744 9.572 -1.560 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 10.024 8.742 -1.180 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 9.754 10.192 -0.830 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 13.785 15.486 -23.947 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 13.915 16.426 -23.827 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 13.405 15.186 -23.127 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -12.811 9.007 17.628 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -13.461 8.687 17.008 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -13.301 9.207 18.418 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 -24.387 -24.326 -20.927 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 -24.567 -24.826 -20.137 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 -25.237 -24.226 -21.357 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 9.336 23.890 -2.479 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 8.776 24.170 -3.209 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 8.796 24.040 -1.699 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 9.162 4.102 12.316 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 8.682 4.612 12.976 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 9.502 4.752 11.706 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 -8.471 16.873 -15.259 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 -7.851 16.533 -14.619 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 -8.501 16.192 -15.939 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 13.484 -10.818 -0.162 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 12.754 -10.578 0.398 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 13.444 -11.778 -0.212 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 8.917 0.941 5.259 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 8.917 1.721 4.699 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 9.437 1.191 6.019 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 -20.581 9.091 8.523 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 -20.891 9.651 9.233 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 -20.431 9.681 7.793 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 14.765 -14.451 12.404 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 14.075 -14.021 11.904 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 14.835 -13.941 13.214 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 20.187 -2.266 8.121 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 20.257 -1.626 8.831 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 19.807 -3.036 8.531 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 9.442 -22.409 -13.481 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 8.522 -22.199 -13.621 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 9.582 -22.219 -12.551 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 3.594 -15.220 23.083 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 3.184 -14.510 22.583 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 3.264 -16.020 22.673 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 -18.932 13.265 19.544 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 -19.842 13.455 19.324 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 -18.702 13.925 20.194 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 18.308 18.172 -1.167 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 17.778 18.932 -1.387 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 17.748 17.422 -1.357 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 10.685 -18.031 -7.617 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 10.575 -17.281 -8.197 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 10.085 -17.861 -6.887 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 -22.764 12.291 -9.834 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 -22.314 12.561 -9.024 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 -22.614 11.351 -9.884 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 10.047 -0.279 -15.990 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 9.337 -0.789 -15.600 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 10.087 0.521 -15.470 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 17.652 15.006 -11.661 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 17.852 15.866 -11.301 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 18.502 14.556 -11.681 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 2.471 -17.262 -24.004 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 1.890 -16.652 -24.444 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 2.051 -17.442 -23.164 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 20.854 6.861 -1.875 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 20.334 6.061 -1.945 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 20.364 7.501 -2.385 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 4.949 25.341 -4.159 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 4.769 24.661 -3.509 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 5.269 26.081 -3.639 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 15.864 -13.439 9.615 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 16.604 -13.889 10.015 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 15.104 -13.769 10.095 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 8.513 10.432 -3.781 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 9.033 10.462 -2.981 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 8.083 9.572 -3.741 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 -10.441 -1.633 0.181 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 -10.711 -2.253 0.861 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 -10.781 -2.003 -0.639 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 2.137 -1.934 21.276 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 1.357 -2.384 20.966 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 2.757 -1.984 20.546 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 9.665 25.376 -24.778 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 9.955 24.956 -25.588 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 10.245 25.016 -24.108 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 -13.578 15.636 1.111 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 -13.238 15.406 0.241 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 -13.548 16.586 1.141 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 -12.809 14.093 6.189 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 -13.169 14.063 5.309 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 -11.939 13.723 6.109 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 -19.521 19.859 6.591 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 -19.451 20.079 7.521 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 -19.431 20.699 6.141 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 9.365 7.995 -11.021 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 9.775 8.185 -11.871 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 9.825 7.215 -10.711 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 18.036 9.382 -21.374 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 17.256 9.322 -21.934 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 18.766 9.262 -21.984 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -2.672 -20.838 23.826 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -3.502 -20.538 23.476 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -2.732 -20.678 24.766 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 0.853 3.096 -2.865 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 0.073 2.626 -2.585 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 1.123 2.656 -3.665 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 22.491 -10.628 -0.841 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 23.301 -10.538 -0.341 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 21.861 -10.068 -0.381 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 25.068 0.698 25.136 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 25.638 -0.012 24.836 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 24.548 0.928 24.366 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 6.478 16.805 6.188 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 6.198 16.675 7.088 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 7.088 17.545 6.228 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 -13.795 -2.472 -11.077 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 -14.405 -3.182 -10.857 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 -13.195 -2.862 -11.717 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 14.008 24.184 -20.317 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 13.398 24.724 -19.827 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 14.568 24.814 -20.777 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -23.454 -3.861 -22.340 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -24.014 -4.631 -22.260 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -24.054 -3.121 -22.250 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 24.908 15.946 -21.091 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 24.628 15.516 -20.291 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 24.128 16.406 -21.411 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -3.506 -15.634 -0.104 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -3.816 -15.584 0.806 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -2.566 -15.794 -0.024 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 15.221 5.055 13.311 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 15.490 4.835 12.411 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 14.930 4.225 13.681 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 20.106 -17.828 5.888 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 19.266 -17.768 6.338 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 19.916 -17.588 4.978 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 -19.829 -23.831 -15.724 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 -19.939 -24.671 -15.284 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 -19.040 -23.451 -15.344 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 12.335 24.976 -23.385 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 11.955 25.176 -22.525 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 12.635 24.066 -23.305 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -6.003 1.336 4.836 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -6.303 0.886 4.046 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -6.533 0.956 5.536 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 23.565 -24.619 11.036 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 23.495 -25.289 11.716 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 24.195 -23.989 11.386 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 -15.836 7.461 18.019 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 -15.906 8.411 17.959 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 -16.036 7.261 18.929 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 12.270 -8.406 -9.794 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 11.691 -8.856 -10.404 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 12.761 -7.796 -10.334 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 8.991 -22.058 -19.307 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 9.421 -22.468 -18.557 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 9.251 -21.138 -19.267 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 6.138 6.722 -9.818 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 6.068 6.872 -10.758 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 6.488 5.832 -9.748 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 -24.749 15.842 -12.775 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 -23.879 15.692 -13.145 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 -25.059 16.642 -13.195 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 10.954 24.407 15.812 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 10.014 24.527 15.752 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 11.284 25.227 16.172 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 -2.619 -4.273 -1.111 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 -1.709 -4.523 -0.951 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 -3.129 -5.033 -0.841 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 -23.704 -6.853 11.003 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 -24.164 -6.163 11.483 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 -24.294 -7.093 10.293 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 15.415 -22.878 -8.247 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 15.725 -23.788 -8.287 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 15.625 -22.518 -9.107 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 -17.058 -2.625 -21.670 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 -16.168 -2.635 -22.020 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 -17.578 -3.075 -22.350 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 -11.387 -11.828 3.473 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 -12.117 -11.268 3.743 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 -11.647 -12.708 3.743 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 -5.957 4.295 11.608 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 -6.187 4.535 10.708 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 -6.727 4.535 12.118 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 1.705 -2.686 -7.887 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 1.325 -3.506 -7.567 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 2.575 -2.936 -8.187 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 -23.680 6.184 21.926 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 -23.189 5.364 21.926 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 -23.290 6.704 22.636 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 -8.258 -24.816 15.509 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 -8.528 -24.346 14.719 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 -7.808 -24.156 16.039 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 -2.547 -8.733 -14.838 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 -2.147 -8.033 -14.338 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 -1.807 -9.243 -15.188 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 12.278 1.579 -21.040 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 12.588 2.489 -21.050 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 11.558 1.559 -21.660 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 8.374 -10.594 20.579 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 8.154 -9.884 21.189 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 8.564 -11.344 21.139 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 11.327 6.124 -13.242 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 10.497 5.834 -13.612 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 11.377 7.054 -13.462 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 -6.067 11.176 6.659 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 -6.697 11.706 7.149 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 -5.247 11.666 6.719 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 -8.075 20.294 -16.950 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 -7.955 19.524 -16.390 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 -8.155 21.024 -16.330 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 -4.548 -19.275 8.193 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 -5.468 -19.315 8.473 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 -4.358 -18.335 8.133 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 4.524 18.959 5.284 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 4.554 19.109 4.334 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 5.134 19.609 5.634 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -5.506 23.833 -3.151 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 -4.776 23.483 -2.641 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 -5.996 23.063 -3.431 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 -12.436 16.115 -12.083 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -11.686 15.545 -11.923 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -12.096 16.795 -12.663 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.517 -8.278 -14.610 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 21.857 -7.578 -15.170 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 21.277 -7.828 -13.800 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 5.837 -3.939 -5.727 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 5.237 -4.599 -5.397 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 5.377 -3.109 -5.587 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 0.061 10.832 11.587 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 0.651 11.582 11.617 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 0.361 10.332 10.817 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 20.862 -24.621 -17.717 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 20.792 -25.521 -17.407 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 19.992 -24.241 -17.537 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 5.023 22.993 -7.561 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 4.573 22.273 -8.011 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 4.333 23.633 -7.391 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 -18.893 -13.836 0.226 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 -19.683 -14.266 -0.094 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 -19.203 -13.146 0.816 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 16.959 4.156 1.475 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 17.669 3.556 1.245 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 16.619 3.816 2.305 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 -10.588 -11.258 -4.094 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 -10.658 -10.848 -4.964 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 -9.658 -11.188 -3.884 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 21.293 7.362 6.886 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 21.913 6.932 6.296 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 21.353 6.872 7.706 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 -24.665 25.151 -2.068 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 -24.055 25.671 -1.548 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 -24.455 25.351 -2.978 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 5.056 -1.599 -4.538 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 4.516 -1.369 -3.788 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 4.986 -0.839 -5.128 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -0.528 21.522 -2.118 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 0.332 21.592 -1.708 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -0.548 20.652 -2.508 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 21.807 2.332 -8.060 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 22.447 2.982 -7.800 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 20.987 2.622 -7.650 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 1.032 -5.338 0.276 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 1.282 -4.648 -0.344 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 1.562 -5.148 1.056 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 14.474 2.380 13.520 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 14.404 2.670 12.610 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 15.034 1.610 13.480 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 -1.988 -18.976 14.925 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 -2.008 -18.546 15.775 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 -1.678 -19.866 15.115 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 -8.806 15.151 -20.617 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 -8.936 14.331 -20.137 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 -9.666 15.351 -20.987 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 -2.741 -16.044 -4.964 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 -3.351 -16.774 -5.014 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 -2.661 -15.734 -5.874 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 18.562 -15.458 -3.348 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 19.282 -15.208 -3.918 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 18.862 -15.238 -2.468 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 18.786 4.064 -17.431 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 18.216 4.824 -17.351 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 18.196 3.314 -17.471 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 -18.358 -17.190 -3.096 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 -18.788 -17.700 -2.406 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 -18.988 -17.180 -3.816 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 -18.105 25.632 -22.844 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 -17.755 24.862 -23.294 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 -18.905 25.322 -22.434 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 -21.482 21.190 20.275 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 -20.992 20.850 21.025 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 -20.962 21.930 19.965 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 5.697 11.346 -21.080 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 5.097 12.096 -21.090 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 6.377 11.586 -20.450 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 19.972 11.942 17.558 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 19.492 12.542 18.138 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 20.602 11.512 18.128 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 13.824 -5.458 7.163 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 14.694 -5.668 6.823 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 13.844 -4.518 7.313 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 24.129 12.378 -14.943 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 24.269 13.208 -15.393 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 23.189 12.348 -14.783 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 2.628 4.569 -8.920 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 2.118 3.759 -8.820 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 3.338 4.329 -9.510 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 -9.706 -20.165 -19.983 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 -10.626 -20.115 -20.253 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 -9.256 -19.555 -20.563 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 13.647 -23.894 7.206 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 13.997 -23.544 6.386 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 14.417 -24.174 7.696 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 -7.485 0.451 7.825 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 -7.225 1.171 8.395 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 -7.905 0.871 7.075 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 -16.967 1.086 9.083 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 -17.517 1.836 9.293 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 -16.357 1.016 9.813 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 -22.221 1.822 -10.487 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 -22.021 2.052 -11.397 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 -22.261 0.872 -10.487 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 -0.377 8.310 18.532 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 -0.007 8.000 17.702 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 -0.857 9.110 18.302 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 23.433 23.378 -3.116 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 22.733 23.858 -2.676 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 24.223 23.638 -2.646 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -2.664 -15.656 -19.316 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -1.874 -15.906 -19.806 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -2.484 -14.766 -19.026 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 -12.306 4.214 -13.025 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 -12.356 4.564 -12.145 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 -13.166 4.414 -13.415 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 15.841 -0.690 -15.142 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 16.761 -0.710 -15.382 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 15.371 -0.580 -15.972 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -7.972 -13.982 -4.630 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -7.832 -13.212 -5.180 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -7.482 -13.802 -3.830 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 -15.483 16.877 -19.535 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 -16.093 17.537 -19.865 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 -14.673 17.027 -20.025 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -24.575 -11.740 -5.209 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -23.765 -12.050 -5.619 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -24.865 -12.490 -4.689 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 12.108 -5.112 11.311 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 11.718 -4.242 11.221 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 12.448 -5.312 10.441 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 22.932 -17.868 -0.728 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 22.852 -17.108 -1.308 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 23.852 -17.888 -0.478 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 -5.569 -21.314 -8.790 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 -5.630 -21.284 -9.750 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 -6.459 -21.504 -8.500 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 22.149 1.202 7.072 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 21.909 1.442 6.182 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 22.879 0.592 6.962 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 17.012 -8.790 -15.073 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 16.962 -8.830 -14.123 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 16.892 -9.700 -15.363 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 -24.444 22.559 -22.849 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 -25.124 22.859 -22.249 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 -24.854 22.609 -23.719 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 -0.307 14.899 -22.687 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 -1.207 15.209 -22.777 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 -0.177 14.329 -23.447 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -16.898 13.443 -5.064 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -17.118 13.173 -5.954 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 -16.308 12.763 -4.744 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 -15.175 -16.287 -16.291 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 -15.725 -17.047 -16.131 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 -15.775 -15.547 -16.271 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 -8.097 7.927 15.093 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 -7.727 8.077 15.963 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 -9.037 7.887 15.233 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 3.831 16.076 5.326 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 4.091 16.936 5.006 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 4.611 15.526 5.216 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 17.441 -19.732 21.598 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 16.990 -20.422 22.078 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 18.370 -19.872 21.788 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 11.369 -1.515 21.436 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 12.309 -1.515 21.596 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 10.999 -1.025 22.176 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 11.329 20.605 -4.855 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 11.189 21.285 -4.195 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 11.669 21.075 -5.615 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 -21.938 4.113 9.050 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 -22.788 3.763 8.760 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 -22.118 4.493 9.910 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 23.694 2.094 22.663 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 23.234 1.714 21.913 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 23.374 2.994 22.713 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 20.709 8.761 -13.092 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 19.919 9.081 -12.662 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 20.859 7.891 -12.712 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 2.958 5.850 -13.511 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 2.898 6.380 -12.721 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 2.828 6.470 -14.231 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 -16.807 0.408 19.400 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 -16.797 -0.232 20.110 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 -17.127 1.218 19.810 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 1.503 -22.015 -12.508 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 2.023 -21.865 -11.718 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 0.613 -22.185 -12.178 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 -6.717 22.060 11.186 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 -6.837 22.880 11.666 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 -6.587 22.340 10.276 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 -0.549 20.910 10.048 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 -0.820 21.460 10.778 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 0.411 20.890 10.108 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 10.292 16.570 11.514 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 9.942 17.440 11.684 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 10.002 16.350 10.634 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 -9.953 -23.134 7.972 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 -10.083 -24.064 7.802 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 -10.403 -22.974 8.802 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 -13.588 -16.864 18.356 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 -12.848 -16.394 17.986 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 -14.258 -16.854 17.666 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 -9.941 21.753 -20.111 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 -9.001 21.923 -20.011 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 -10.061 20.863 -19.781 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 14.209 -14.466 -0.535 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 13.819 -13.916 -1.215 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 14.149 -15.356 -0.875 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 10.689 7.322 -0.543 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 10.709 7.312 0.417 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 11.149 6.522 -0.803 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 3.871 -10.445 22.209 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.791 -9.675 22.779 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 3.641 -10.115 21.339 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 -24.544 22.343 -10.570 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 -25.294 22.743 -10.140 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 -24.654 22.563 -11.500 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 17.754 22.618 -7.948 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 17.574 21.778 -7.528 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 17.824 23.238 -7.228 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -15.823 21.643 -1.807 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -15.313 22.093 -1.137 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -15.923 20.753 -1.467 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 -7.381 17.592 -3.723 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 -7.611 18.472 -4.003 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 -6.951 17.202 -4.483 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 7.771 -17.566 -7.324 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 6.851 -17.576 -7.074 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 7.971 -18.466 -7.574 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 -11.458 -3.822 -20.064 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 -11.408 -4.782 -20.114 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 -11.038 -3.512 -20.874 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 16.414 20.784 24.281 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 16.894 20.934 25.101 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 16.324 21.664 23.901 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 12.352 -8.456 5.563 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 11.682 -8.046 6.103 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 13.012 -7.766 5.443 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -7.177 9.724 21.066 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -8.007 10.114 21.336 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -6.607 10.474 20.896 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 -22.226 -17.277 12.776 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 -22.886 -17.957 12.916 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 -22.056 -16.937 13.656 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -24.122 12.453 18.254 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -25.032 12.633 17.994 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -23.892 13.183 18.824 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -1.429 -4.102 -18.442 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -0.929 -4.052 -17.632 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -2.209 -3.582 -18.282 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 -15.675 9.552 -5.644 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 -15.225 8.742 -5.404 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 -14.975 10.142 -5.894 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 15.014 12.272 -21.876 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 14.184 11.882 -22.166 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 15.184 11.862 -21.026 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 15.257 -4.933 -22.783 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 15.047 -5.743 -23.243 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 14.407 -4.523 -22.613 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 9.572 5.306 -7.263 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 9.212 4.626 -6.693 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 9.532 6.106 -6.743 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 6.295 -21.128 -24.999 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 5.715 -20.408 -25.239 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 6.005 -21.398 -24.129 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 -18.921 -19.850 -20.761 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 -18.541 -19.350 -21.481 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 -19.501 -20.480 -21.191 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 1.723 -23.668 3.455 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 1.073 -23.788 4.145 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 1.623 -22.758 3.175 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 -7.458 3.822 5.775 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 -7.858 4.062 4.945 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 -6.548 3.622 5.555 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -6.774 -2.623 -5.402 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -6.974 -2.183 -4.572 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -5.814 -2.583 -5.462 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 -11.562 19.949 -12.297 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 -11.602 20.439 -13.117 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 -11.142 19.119 -12.537 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -6.063 -25.027 -21.556 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -6.763 -24.607 -21.046 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -5.763 -24.337 -22.156 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 -19.289 18.666 -3.604 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 -18.509 18.966 -3.154 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 -19.079 18.746 -4.534 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 -6.134 -3.680 17.101 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 -6.584 -4.310 16.551 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 -5.714 -4.210 17.781 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 14.841 18.104 4.038 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 15.650 17.604 4.028 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 14.411 17.844 4.858 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 -13.999 -17.111 -0.562 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 -14.889 -17.261 -0.232 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 -13.519 -16.761 0.188 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -3.445 21.699 10.888 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -2.915 21.069 11.388 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -3.985 22.129 11.548 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 -10.252 -11.856 6.280 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 -10.842 -11.146 6.040 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 -10.162 -12.376 5.470 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 23.752 21.113 13.217 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 24.182 20.303 12.937 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 23.122 20.833 13.877 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -3.214 1.469 14.510 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -3.354 1.999 13.730 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -2.564 1.949 15.010 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 10.946 16.252 18.674 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 10.306 15.992 19.334 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 11.776 15.892 18.984 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 3.122 1.653 11.074 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 2.652 1.123 10.424 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 4.002 1.273 11.104 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 22.161 -13.620 16.329 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 21.961 -13.650 17.269 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 22.141 -12.680 16.109 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 -10.283 -0.207 -18.054 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 -9.523 -0.767 -18.204 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 -10.763 -0.227 -18.884 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 -13.505 24.726 8.326 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 -14.335 24.286 8.166 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 -13.655 25.236 9.126 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 -20.239 -3.271 -18.290 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 -21.099 -3.211 -17.880 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 -20.170 -2.471 -18.810 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 -16.069 1.193 12.790 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 -16.899 1.293 13.240 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 -15.449 1.703 13.310 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 -7.566 25.593 24.656 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 -7.616 24.873 24.026 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 -7.306 25.183 25.476 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 -13.521 11.314 -21.365 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 -12.641 11.454 -21.005 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 -14.011 10.924 -20.645 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 10.276 -11.889 -20.331 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 10.366 -11.449 -19.481 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 10.076 -12.799 -20.111 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 -19.873 -0.253 17.693 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 -20.773 0.007 17.483 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 -19.433 -0.313 16.843 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 1.329 -4.044 18.670 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 0.669 -3.484 19.070 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 2.089 -3.974 19.240 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -18.326 -22.697 -11.666 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -17.656 -22.977 -12.286 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -18.506 -21.787 -11.896 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 5.683 -7.946 -6.604 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 5.173 -8.306 -7.334 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 5.033 -7.746 -5.934 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 -14.103 -13.553 -1.871 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 -13.743 -14.403 -2.121 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 -13.513 -12.913 -2.291 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 -19.268 -15.417 -15.274 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 -19.728 -15.917 -15.944 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 -19.918 -15.277 -14.584 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 -8.681 -9.216 -4.143 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 -8.621 -8.266 -4.313 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 -9.051 -9.276 -3.263 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 14.199 20.822 6.732 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 13.899 21.702 6.502 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 13.679 20.572 7.492 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 -1.696 12.806 -21.156 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 -1.286 13.636 -21.376 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 -0.986 12.166 -21.236 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 -4.374 -7.732 23.164 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 -3.824 -6.952 23.234 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 -4.234 -8.202 23.994 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 -6.176 -8.100 -6.838 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 -6.666 -8.500 -7.558 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 -5.696 -8.830 -6.438 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 -20.309 11.165 -20.970 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 -20.229 10.225 -21.090 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 -21.259 11.325 -20.950 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 -2.286 -11.269 -5.318 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 -1.846 -12.119 -5.338 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 -1.596 -10.649 -5.078 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 5.206 15.480 20.096 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 5.596 15.100 20.886 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 4.396 15.890 20.406 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -5.766 -20.138 13.714 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -5.666 -20.558 14.564 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -6.236 -20.768 13.174 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 -14.443 13.980 -19.727 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 -14.743 13.760 -20.617 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 -15.023 14.680 -19.447 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 24.292 -9.852 19.268 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 24.402 -8.922 19.048 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 24.352 -9.882 20.228 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 7.579 -4.966 11.951 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 8.329 -5.546 12.101 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 7.959 -4.096 11.851 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 7.807 -15.319 -14.429 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 7.707 -15.869 -13.649 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 6.927 -14.989 -14.609 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -7.995 16.212 -1.556 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -8.395 16.803 -0.926 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -7.825 16.762 -2.326 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -11.787 11.175 -10.135 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -12.477 11.645 -9.675 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -11.757 11.585 -11.005 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 -20.785 3.955 -17.330 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 -20.755 3.865 -16.380 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 -20.185 3.285 -17.660 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 4.692 8.450 18.548 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 3.762 8.310 18.348 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 5.152 8.000 17.838 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 20.842 -4.045 -6.407 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 20.962 -3.095 -6.357 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 21.602 -4.415 -5.957 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 12.252 16.156 -14.487 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 12.692 16.206 -15.337 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 11.352 15.916 -14.687 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -17.934 22.996 24.670 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -17.554 22.496 23.950 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -17.974 22.376 25.400 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 -1.523 -15.089 -7.101 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -0.863 -14.769 -6.491 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -1.433 -16.039 -7.081 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 22.745 -10.149 -18.004 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 21.815 -10.289 -17.854 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 22.855 -9.199 -17.994 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 20.478 -21.603 -23.074 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 21.198 -21.073 -23.444 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 20.108 -21.053 -22.384 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 -15.853 5.762 20.633 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 -16.223 5.012 20.173 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 -14.933 5.792 20.353 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 19.525 -21.715 15.851 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 19.295 -20.935 16.361 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 19.725 -21.385 14.981 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 -18.022 16.168 -7.567 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 -17.542 16.648 -6.887 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 -17.572 15.328 -7.637 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -15.817 -9.768 13.580 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 -14.957 -9.478 13.920 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 -15.857 -9.398 12.700 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -12.298 2.700 14.933 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -11.608 3.320 14.693 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -13.018 2.900 14.333 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 -17.585 -6.496 2.769 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 -18.425 -6.236 2.399 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 -16.955 -5.896 2.369 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -14.797 -9.861 7.154 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -14.147 -10.531 6.964 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -14.657 -9.191 6.474 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -15.524 7.394 -25.246 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -15.504 6.894 -24.426 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -14.644 7.314 -25.606 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 1.836 -1.606 -21.871 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 1.846 -1.026 -21.121 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 2.646 -2.106 -21.811 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -22.081 -10.133 -3.091 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -21.151 -9.903 -3.201 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -22.541 -9.303 -3.241 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 13.594 -9.925 19.118 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 13.024 -9.205 18.868 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 13.464 -10.585 18.428 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 -13.635 12.997 -12.688 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 -13.545 13.777 -12.128 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 -12.745 12.837 -13.008 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 18.792 16.974 18.715 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 19.202 17.154 17.865 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 19.522 16.824 19.305 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 -14.512 16.994 17.053 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 -15.272 17.284 16.553 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 -14.472 16.054 16.903 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 23.793 -16.165 -6.567 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 22.993 -16.385 -7.027 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 23.813 -15.205 -6.567 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 -9.015 1.370 -21.488 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 -9.585 1.070 -20.778 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 -8.415 0.640 -21.638 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 4.963 -1.557 -7.391 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 5.383 -1.708 -8.241 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 4.203 -1.018 -7.581 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 9.773 -20.796 -0.214 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 9.973 -21.716 -0.064 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 8.973 -20.816 -0.744 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 -20.785 23.626 -19.896 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 -21.155 23.816 -19.036 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 -19.965 23.186 -19.706 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 -24.116 20.201 3.787 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 -24.896 19.671 3.597 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 -24.276 20.541 4.667 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 -8.924 -22.809 23.197 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 -8.994 -23.619 22.687 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 -8.684 -23.099 24.077 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 18.554 15.461 -6.937 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 17.714 15.001 -6.927 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 18.534 15.971 -7.747 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 4.665 -13.213 6.764 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 5.215 -13.473 6.024 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 4.285 -14.033 7.074 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -23.503 20.432 12.896 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -23.133 19.822 12.266 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -23.523 21.272 12.446 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 11.368 -19.593 13.253 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 11.498 -18.833 12.683 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 10.718 -19.293 13.893 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 18.465 -11.508 -9.800 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 18.035 -11.388 -10.650 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 19.315 -11.088 -9.900 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 22.907 8.048 12.703 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 22.597 8.058 13.603 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 22.807 7.138 12.423 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 -10.014 -18.577 6.403 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 -10.204 -17.707 6.033 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 -10.234 -18.487 7.333 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -14.276 3.585 -10.904 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -14.356 3.405 -11.844 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -14.756 2.865 -10.484 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 0.196 8.994 -18.944 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 1.056 9.344 -18.694 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 -0.414 9.424 -18.354 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 -13.761 21.323 -23.837 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 -14.231 20.533 -23.557 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 -12.901 21.243 -23.427 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 4.781 -24.810 -19.259 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 5.251 -23.980 -19.369 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 3.881 -24.540 -19.049 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 -13.253 -9.929 2.483 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 -13.733 -9.919 1.653 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 -13.533 -9.129 2.923 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -3.914 -23.593 -11.916 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -4.124 -24.173 -11.186 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -3.044 -23.873 -12.206 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 -3.957 4.497 -4.388 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 -4.677 4.797 -3.848 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 -4.317 4.457 -5.278 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 -10.983 10.718 8.587 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 -11.683 10.868 9.227 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 -11.443 10.358 7.827 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 23.069 23.852 13.263 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 22.279 23.922 12.713 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 23.219 22.912 13.343 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 -11.704 2.642 -0.078 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 -12.444 2.653 -0.688 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 -12.014 3.152 0.672 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 9.372 5.334 -24.477 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 8.622 5.634 -23.947 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 9.512 4.434 -24.197 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 -8.213 -12.506 -15.688 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 -8.083 -11.586 -15.918 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 -7.333 -12.846 -15.578 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 10.843 -3.895 -2.978 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 10.343 -4.705 -2.838 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 10.423 -3.485 -3.728 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 -17.921 10.931 23.279 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 -17.141 10.671 23.769 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 -18.471 11.391 23.919 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -3.788 -4.947 -23.686 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -4.508 -4.317 -23.736 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -2.998 -4.417 -23.846 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 14.251 12.312 -15.243 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 13.781 11.732 -14.643 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 15.171 12.252 -14.973 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 -14.445 -7.726 -3.384 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 -15.235 -7.526 -2.884 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 -14.345 -8.676 -3.334 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 9.237 6.032 17.632 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 10.037 5.682 18.012 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 9.447 6.942 17.442 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 -21.479 -19.663 24.876 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 -22.089 -20.393 24.966 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 -20.639 -20.083 24.686 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 -16.793 -14.026 11.038 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 -16.863 -13.156 11.418 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 -16.343 -13.886 10.198 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 -2.557 11.285 14.310 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 -2.797 12.185 14.090 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 -3.387 10.825 14.390 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 -0.088 4.404 11.871 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 -0.338 4.234 10.961 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 0.842 4.164 11.911 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 11.634 -7.304 -1.145 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 11.204 -7.954 -0.575 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 11.514 -6.474 -0.685 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -19.841 -12.646 22.221 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -19.561 -11.836 21.801 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -20.511 -12.376 22.851 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 24.639 -20.235 -20.757 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 23.759 -19.855 -20.687 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 24.879 -20.125 -21.677 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 -7.185 -0.941 -22.647 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 -6.365 -0.721 -23.077 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 -7.165 -1.891 -22.537 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 -12.723 -17.698 9.557 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 -13.663 -17.748 9.757 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 -12.603 -16.838 9.167 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -17.790 -16.672 -7.937 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -18.709 -16.922 -8.067 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -17.450 -16.502 -8.817 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 11.214 11.610 -10.189 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 11.824 11.080 -9.669 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 11.604 12.490 -10.179 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 10.522 -24.053 -21.089 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 10.852 -23.603 -21.869 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 10.032 -23.373 -20.629 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 -22.952 18.196 14.533 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 -22.402 17.416 14.603 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 -22.462 18.786 13.973 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 -0.603 -0.646 -24.687 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 -1.223 0.064 -24.547 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 0.247 -0.266 -24.457 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -3.003 -5.552 23.829 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -2.343 -5.442 24.509 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -3.503 -4.742 23.839 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 -19.656 23.903 -1.907 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 -19.406 24.503 -1.197 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 -19.456 23.033 -1.567 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 20.457 12.894 -8.033 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 20.447 13.834 -7.903 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 19.867 12.544 -7.373 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 -4.613 0.096 -25.194 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 -5.263 0.506 -25.764 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 -4.633 0.626 -24.404 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -18.158 10.318 -16.364 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -17.398 10.798 -16.694 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -18.858 10.978 -16.324 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 -23.734 21.960 -19.884 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 -23.394 22.350 -20.684 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 -23.304 22.440 -19.174 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 -4.522 20.861 15.078 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 -5.412 20.931 15.418 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 -4.352 21.731 14.708 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 -10.941 7.272 0.579 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 -10.031 7.022 0.499 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 -11.361 6.912 -0.201 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 7.708 -18.788 22.187 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 7.918 -19.518 22.767 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 7.548 -18.058 22.787 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 16.032 -23.271 0.445 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 15.762 -22.691 1.155 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 15.832 -24.151 0.755 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -15.674 14.002 -15.183 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -14.994 13.412 -14.833 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -15.244 14.852 -15.223 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 0.511 -23.916 -0.788 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 0.191 -23.576 -1.618 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -0.159 -24.546 -0.508 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 3.698 -0.100 -9.727 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 3.388 -0.880 -10.177 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 3.108 -0.000 -8.987 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 9.822 -18.839 3.449 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 10.722 -19.139 3.509 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 9.812 -18.009 3.939 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 10.412 1.498 12.726 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 10.782 1.288 13.576 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 9.622 2.008 12.916 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 -24.131 -5.111 1.770 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 -23.781 -5.811 1.220 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 -25.071 -5.301 1.840 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 -11.201 5.051 -9.444 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 -11.391 4.861 -8.524 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 -11.101 6.001 -9.484 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 -4.749 -11.272 -3.114 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 -4.100 -11.432 -3.794 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -5.019 -12.142 -2.824 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -17.906 17.242 6.229 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -18.126 18.162 6.349 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -17.436 17.222 5.389 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -4.875 0.208 10.805 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -4.385 -0.622 10.875 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -5.235 0.348 11.675 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 -19.126 -12.757 15.249 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 -19.626 -12.177 15.819 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 -18.986 -12.247 14.449 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 21.549 13.351 4.144 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 22.139 13.271 3.394 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 21.739 14.211 4.514 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 -16.578 -9.026 -24.794 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 -16.618 -8.976 -23.834 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 -17.148 -9.746 -25.024 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 13.505 -0.713 -20.507 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 13.445 0.237 -20.607 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 12.585 -1.003 -20.457 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 12.410 -3.299 -15.514 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 12.860 -3.539 -16.324 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 12.980 -3.629 -14.814 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -8.009 15.806 7.120 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.099 15.126 7.790 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -7.599 16.536 7.570 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 -8.834 -12.282 -22.066 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 -9.344 -13.022 -21.736 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 -9.314 -11.512 -21.766 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 15.155 8.898 -6.874 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 15.805 8.988 -6.164 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 14.855 7.988 -6.804 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 10.619 21.983 12.480 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 10.839 22.883 12.710 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 10.329 21.593 13.300 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 0.633 11.974 -10.728 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 1.073 11.754 -11.558 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -0.287 11.784 -10.898 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 9.993 -2.993 -12.159 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 9.583 -2.163 -12.409 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 9.313 -3.463 -11.689 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 -4.967 16.751 17.300 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 -4.197 16.411 16.850 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 -4.957 16.321 18.160 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 -2.037 -0.367 -5.424 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 -2.697 -0.007 -4.834 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 -2.507 -1.027 -5.934 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -17.408 -13.223 -3.714 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -17.188 -13.303 -2.784 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -17.168 -14.063 -4.094 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 22.778 -5.203 23.990 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 22.038 -4.923 24.520 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 23.208 -4.393 23.730 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 -23.688 -10.087 -0.457 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 -24.488 -9.697 -0.807 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 -23.598 -9.707 0.413 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 -22.272 -3.058 6.252 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 -21.502 -3.588 6.452 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 -22.952 -3.688 6.032 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 -2.332 4.833 9.798 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 -2.602 3.933 9.678 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 -2.532 5.033 10.718 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -18.392 12.721 1.598 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -19.302 12.731 1.898 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -17.872 12.881 2.388 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 2.342 -23.521 -18.661 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 1.402 -23.671 -18.521 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 2.442 -22.571 -18.601 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 19.298 -11.234 -4.443 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 18.688 -10.824 -5.063 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 18.958 -12.114 -4.313 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -11.265 -2.288 8.567 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -11.245 -1.858 9.427 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -10.495 -1.948 8.117 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 22.075 20.022 -7.180 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 22.195 19.242 -6.650 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 21.165 19.982 -7.470 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 23.653 -10.344 -11.320 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 23.233 -10.304 -12.180 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 24.513 -10.714 -11.490 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -21.903 1.037 1.505 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -21.383 0.287 1.765 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -22.703 0.967 2.015 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 15.585 -2.651 -21.001 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 15.805 -3.021 -21.861 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 14.955 -1.961 -21.191 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 5.455 -4.368 -12.828 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 4.575 -4.158 -13.108 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 5.875 -4.738 -13.608 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 -14.876 -7.003 13.123 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 -14.746 -7.043 12.173 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 -14.376 -6.223 13.393 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 17.926 7.618 23.030 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 18.396 7.118 23.690 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 17.966 7.078 22.240 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 -19.766 -8.574 1.523 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 -19.576 -9.484 1.733 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 -19.276 -8.074 2.183 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 -8.464 -21.092 3.289 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 -8.364 -21.992 2.979 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 -9.414 -20.982 3.379 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 5.613 -13.634 15.880 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 6.413 -13.864 15.410 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 5.003 -14.344 15.670 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 -24.047 -4.212 19.844 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 -24.197 -3.262 19.904 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 -23.307 -4.372 20.414 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 22.517 -19.124 5.903 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 22.847 -19.554 6.683 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 21.647 -18.814 6.143 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 12.599 -4.814 21.741 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 11.689 -5.114 21.661 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 12.869 -4.634 20.841 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 -13.073 11.209 2.422 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 -13.583 10.589 2.942 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 -13.083 10.839 1.532 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 -12.921 -0.670 5.883 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 -12.571 -0.350 5.053 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -12.411 -1.460 6.073 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 22.598 -6.657 -16.434 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 23.438 -6.737 -16.894 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 22.078 -6.067 -16.984 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 16.226 15.063 -15.137 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 16.946 14.803 -15.707 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 16.456 14.703 -14.277 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 -7.609 -8.316 18.873 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 -7.189 -8.566 19.693 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 -7.659 -7.366 18.903 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 -11.811 -7.868 20.260 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 -11.151 -8.448 19.880 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 -12.081 -8.298 21.070 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 17.745 -12.244 -15.774 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 17.845 -13.144 -16.074 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 16.805 -12.074 -15.844 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 -11.194 16.303 18.313 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 -11.214 16.023 17.403 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 -10.934 17.233 18.273 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 -7.907 2.457 -15.648 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 -7.737 3.377 -15.858 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 -8.857 2.377 -15.668 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 10.764 -6.961 -17.327 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 10.954 -6.431 -16.557 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 11.604 -7.321 -17.587 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 -14.592 18.693 -24.491 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 -13.992 18.983 -25.171 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 -15.462 18.783 -24.881 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 18.933 -12.374 24.016 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 18.753 -12.814 24.846 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 18.183 -11.804 23.876 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 -23.132 -2.843 3.344 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 -23.382 -3.493 2.674 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 -22.792 -3.363 4.064 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 15.222 -11.282 -19.927 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 14.512 -11.052 -20.517 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 15.932 -10.672 -20.157 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 14.629 -16.142 4.449 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 14.259 -15.602 3.749 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 14.339 -15.712 5.249 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 9.712 -3.763 21.504 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 8.942 -3.463 21.994 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 10.192 -2.963 21.294 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 -3.063 7.889 -18.895 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 -3.213 6.959 -18.775 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 -3.623 8.319 -18.255 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 -0.865 -2.387 19.142 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 -1.655 -2.447 19.682 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 -1.155 -1.897 18.372 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 23.946 -20.284 -7.597 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 24.576 -19.914 -6.977 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 24.266 -21.174 -7.757 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 25.241 15.136 18.466 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 25.761 15.566 17.786 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 24.351 15.126 18.126 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 21.951 -24.809 8.683 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 22.321 -25.649 8.423 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 22.401 -24.599 9.503 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -24.814 24.525 -17.349 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -25.504 24.115 -17.869 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -25.144 25.405 -17.169 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 8.615 -21.368 5.793 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 9.075 -20.538 5.703 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 9.055 -21.808 6.523 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 -21.917 -7.055 -24.828 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 -21.017 -7.245 -25.098 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 -22.457 -7.615 -25.388 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 -19.244 -24.601 -4.534 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 -19.304 -25.551 -4.394 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 -18.444 -24.491 -5.054 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 -17.753 -19.847 23.678 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 -18.383 -20.367 24.178 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 -16.903 -20.237 23.888 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 14.542 0.037 -4.154 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 14.802 0.437 -4.984 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 15.362 -0.093 -3.684 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 -9.614 -5.730 12.663 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 -8.994 -5.250 13.203 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 -9.084 -6.140 11.983 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 17.107 -13.238 -4.160 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 16.647 -12.648 -3.560 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 17.557 -13.858 -3.600 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 14.467 -7.344 -23.187 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 14.187 -8.204 -22.857 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 15.407 -7.334 -23.027 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 9.943 8.744 7.723 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 10.183 9.244 8.513 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 9.333 9.314 7.253 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 -10.887 -5.918 24.098 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 -10.827 -6.338 24.948 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 -10.997 -6.648 23.478 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 10.726 22.752 -22.600 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 10.806 21.822 -22.410 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 9.786 22.892 -22.730 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 12.826 18.430 9.580 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 13.356 18.080 8.870 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 12.206 19.020 9.150 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -24.169 25.277 -7.254 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -24.979 25.177 -6.754 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -23.929 24.387 -7.524 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 -9.756 -9.189 9.553 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 -10.306 -8.679 10.153 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 -8.866 -8.939 9.783 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 1.877 -5.366 -10.462 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 2.757 -5.476 -10.102 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 1.337 -5.976 -9.972 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 8.013 -8.843 1.435 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 7.353 -9.523 1.325 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 7.943 -8.303 0.645 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 15.607 -11.013 -2.984 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 15.647 -10.063 -3.074 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 14.987 -11.293 -3.664 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 16.832 3.803 -5.440 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 16.992 2.862 -5.350 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 15.942 3.933 -5.120 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 -15.871 1.907 4.352 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 -16.011 2.387 5.162 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 -15.491 1.067 4.632 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 -24.597 14.504 -9.500 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 -23.787 14.874 -9.140 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 -24.417 13.564 -9.550 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 12.733 1.029 20.745 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 12.583 1.909 21.095 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 13.593 1.079 20.325 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 19.325 2.600 16.590 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 19.365 3.420 16.110 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 20.035 2.660 17.230 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 12.262 -13.078 -1.734 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 11.422 -13.488 -1.514 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 12.022 -12.238 -2.134 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 15.059 -1.204 -8.397 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 14.219 -1.234 -8.857 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 15.709 -1.304 -9.097 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 19.749 12.922 -2.114 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 20.239 13.562 -2.614 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 19.889 13.162 -1.194 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 11.728 13.890 16.042 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 11.578 14.360 15.212 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 12.258 14.490 16.562 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -17.031 24.060 20.420 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -16.261 24.620 20.340 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -16.731 23.200 20.110 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 19.347 17.613 21.473 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 18.847 18.413 21.623 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 20.267 17.893 21.513 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -22.677 -20.308 12.667 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -22.217 -20.488 13.487 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -21.987 -20.218 12.017 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -20.496 19.677 -23.644 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -20.356 19.167 -24.444 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -20.976 20.447 -23.944 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 11.740 5.753 19.183 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 12.200 6.553 18.923 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 12.411 5.213 19.613 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 -20.666 -8.449 4.842 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 -19.996 -8.919 4.352 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 -20.846 -9.009 5.602 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 13.329 -18.488 8.394 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 12.539 -18.038 8.704 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 13.719 -18.848 9.184 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 20.079 9.053 -23.222 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 19.299 8.923 -23.762 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 20.809 9.013 -23.832 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 -24.877 17.661 -4.541 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 -25.217 16.991 -3.941 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 -25.517 18.371 -4.491 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -6.496 -17.334 24.038 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -6.746 -17.794 23.228 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -7.226 -17.494 24.638 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 1.608 -19.071 22.333 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 2.328 -19.571 22.713 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 1.648 -19.281 21.403 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 -13.145 1.782 -7.672 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 -13.115 1.312 -8.502 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 -13.985 2.222 -7.682 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 0.988 -5.987 -5.774 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 0.508 -5.197 -5.524 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 0.548 -6.697 -5.324 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 -18.739 13.534 -23.873 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 -18.629 14.054 -23.083 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 -18.139 13.924 -24.503 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 -8.092 -7.413 -21.478 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 -8.852 -7.973 -21.338 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 -8.342 -6.833 -22.198 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -13.841 -19.511 -4.507 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -14.381 -19.061 -3.857 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -14.471 -19.921 -5.097 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 -24.527 -0.832 1.640 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 -24.107 -1.682 1.780 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 -24.757 -0.532 2.520 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 22.047 14.706 24.774 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 21.497 14.726 25.554 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 21.847 13.866 24.364 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 20.845 -24.678 4.774 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 20.225 -24.708 4.054 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 20.715 -23.808 5.164 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 -20.847 -6.736 -8.944 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 -20.807 -6.326 -8.084 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 -20.457 -7.606 -8.814 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -3.216 -5.504 -15.670 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -2.466 -6.094 -15.550 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -2.906 -4.654 -15.350 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 -22.609 -1.337 -24.817 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 -22.739 -0.837 -24.007 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 -21.659 -1.337 -24.937 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 19.402 -20.182 -5.064 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 19.062 -19.652 -5.784 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 19.372 -19.592 -4.304 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 -13.973 14.926 -23.907 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 -13.133 14.906 -23.457 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 -14.003 15.796 -24.327 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 12.196 -13.518 15.662 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 13.026 -13.888 15.962 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 11.536 -14.058 16.102 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 2.694 -20.971 15.948 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 2.134 -20.201 15.828 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 2.784 -21.341 15.078 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 -21.136 -3.220 -7.141 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 -20.226 -2.960 -7.101 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 -21.166 -4.070 -6.701 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 6.799 -23.746 21.933 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 7.639 -23.456 21.603 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 6.939 -23.906 22.863 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 -1.565 -11.647 9.990 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 -0.935 -12.067 10.570 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 -2.195 -11.227 10.580 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 19.407 -4.388 15.016 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 19.727 -4.268 14.126 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 20.137 -4.118 15.576 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 22.432 -18.864 16.729 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 21.582 -19.224 16.989 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 22.232 -18.294 15.979 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 16.533 13.512 -6.484 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 16.703 12.952 -5.724 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 16.213 12.912 -7.154 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -19.738 -0.974 -19.348 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -19.138 -0.374 -18.908 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -19.928 -0.544 -20.188 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 -13.471 5.406 19.449 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 -13.591 4.516 19.119 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 -13.541 5.966 18.679 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -21.062 9.542 12.243 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -20.962 9.422 13.183 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -21.992 9.712 12.113 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 -13.446 3.745 5.858 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 -13.306 3.325 6.718 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 -13.666 3.025 5.278 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 -10.628 -11.944 22.272 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 -10.878 -12.814 21.982 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 -10.948 -11.354 21.592 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -23.548 -18.133 -19.010 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -23.788 -18.913 -18.520 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -23.898 -18.273 -19.880 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 -13.628 6.075 2.302 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 -13.618 6.235 3.252 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 -12.708 6.095 2.042 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 -11.451 -16.073 -9.799 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 -11.241 -16.993 -9.639 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 -12.151 -16.103 -10.459 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 -18.117 3.567 -7.178 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 -18.917 3.877 -7.598 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 -18.357 3.437 -6.258 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -3.269 -2.193 -24.222 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -3.479 -1.423 -24.752 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -3.039 -1.823 -23.362 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 8.719 7.478 -17.221 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 8.879 6.538 -17.331 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 7.879 7.618 -17.651 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 11.947 -15.932 -20.012 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 11.517 -15.232 -19.512 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 12.747 -15.522 -20.342 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 9.532 21.288 24.223 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 9.592 20.938 23.333 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 9.792 22.198 24.153 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 -24.359 15.010 3.860 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 -24.989 14.290 3.880 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 -23.850 14.900 4.660 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 22.384 -22.062 14.295 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 22.464 -21.132 14.505 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 21.994 -22.442 15.075 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 21.077 11.892 20.324 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 21.877 11.502 20.704 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 20.417 11.202 20.414 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 3.462 7.945 0.359 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 2.642 7.495 0.179 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 3.292 8.465 1.149 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 11.714 5.078 4.158 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 10.794 4.838 3.998 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 11.904 4.728 5.028 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 9.732 -7.310 -24.741 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 9.652 -8.050 -24.141 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 10.402 -7.580 -25.371 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 -12.102 11.671 -3.564 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 -11.182 11.441 -3.404 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 -12.592 10.971 -3.144 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -11.474 -12.789 -6.739 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -12.054 -12.319 -6.139 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 -10.654 -12.289 -6.719 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 8.585 12.275 -20.626 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 9.535 12.345 -20.716 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 8.245 12.985 -21.176 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 -16.415 11.111 18.143 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 -16.565 11.151 17.193 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 -16.915 11.851 18.493 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 -15.356 20.539 14.010 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 -15.156 21.299 13.460 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 -14.916 20.719 14.840 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 17.221 -15.071 11.281 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 17.721 -15.551 11.941 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 16.361 -14.941 11.691 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 22.361 -11.032 16.908 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 22.281 -10.082 16.768 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 23.041 -11.112 17.578 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 18.089 12.785 3.619 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 18.399 12.595 4.509 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 18.409 12.045 3.099 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -2.482 23.311 -2.765 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -1.742 22.841 -2.365 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -2.082 23.801 -3.485 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 15.775 24.826 -8.786 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 15.925 23.886 -8.696 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 15.305 24.916 -9.616 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 -6.647 13.268 23.686 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 -5.917 13.698 24.146 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 -7.167 12.858 24.376 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 -18.581 2.389 18.103 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 -17.891 1.789 18.383 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 -19.341 1.839 17.963 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 -20.587 1.392 4.216 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 -20.487 0.682 4.846 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 -21.167 1.032 3.536 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 -9.799 -22.728 -14.153 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 -9.079 -23.338 -14.223 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 -10.509 -23.128 -14.653 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 -8.405 0.603 -12.630 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 -9.025 0.723 -13.350 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 -7.865 1.393 -12.650 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -8.034 5.845 -17.007 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -7.374 6.485 -16.737 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -8.764 5.965 -16.397 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 -14.533 23.189 24.339 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 -15.423 23.469 24.539 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 -14.263 22.669 25.089 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 20.564 -3.974 -23.646 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 20.914 -4.664 -23.076 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 19.614 -4.114 -23.616 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -4.479 -10.900 23.176 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -5.279 -10.440 22.926 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -3.839 -10.200 23.346 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 -17.445 2.348 2.127 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 -17.015 1.918 2.867 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 -17.875 1.638 1.657 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 2.597 9.001 -4.377 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 1.647 9.061 -4.287 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 2.947 9.391 -3.577 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 8.862 18.606 -5.040 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 8.282 19.356 -5.120 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 9.342 18.756 -4.220 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 -11.282 23.179 -8.720 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 -11.032 24.069 -8.440 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 -11.352 23.239 -9.670 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 -4.855 -1.019 16.333 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 -5.725 -0.639 16.173 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 -4.975 -1.959 16.193 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 22.702 22.489 8.447 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 22.742 23.219 7.837 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 22.082 21.869 8.047 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 19.684 12.049 9.663 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 20.344 11.389 9.423 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 18.864 11.709 9.293 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 1.795 -15.017 10.946 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 2.165 -14.858 10.076 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 1.435 -15.907 10.896 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 -11.503 4.456 21.103 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 -12.223 4.576 21.723 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 -11.933 4.406 20.243 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 4.497 -16.772 -15.668 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 4.807 -17.672 -15.548 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 3.777 -16.682 -15.038 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 10.275 13.612 12.359 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 10.525 14.492 12.649 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 9.315 13.632 12.329 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 -17.017 0.291 -5.144 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 -16.807 -0.499 -5.644 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 -17.847 0.071 -4.704 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 -10.689 8.352 15.402 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 -11.439 7.942 15.832 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 -10.659 7.922 14.542 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 -18.268 1.766 -15.305 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 -18.628 2.456 -14.745 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 -19.038 1.316 -15.655 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 16.834 -20.008 -24.327 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 16.304 -20.278 -23.577 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 16.224 -19.988 -25.057 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 7.812 -1.859 -14.912 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 7.742 -2.809 -14.882 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 7.762 -1.579 -14.002 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 25.328 -17.938 23.763 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 25.248 -18.358 24.623 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 24.628 -17.288 23.743 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 -19.011 -6.662 6.324 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 -19.291 -7.292 5.664 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 -19.801 -6.462 6.824 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 -19.035 -21.881 0.111 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -18.315 -22.161 -0.449 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 -19.565 -22.661 0.231 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 11.158 -19.599 6.722 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 11.848 -19.239 6.162 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 11.628 -19.989 7.462 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 -2.384 6.350 -24.268 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 -2.444 7.150 -24.788 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 -2.774 6.580 -23.428 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 -11.607 18.215 -9.476 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 -11.037 17.835 -8.806 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 -11.597 19.155 -9.286 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 -21.709 15.672 0.552 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 -21.099 16.032 1.202 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 -21.229 15.722 -0.278 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 -10.993 21.999 14.830 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 -11.033 21.049 14.660 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 -11.183 22.079 15.770 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 -23.844 -16.486 -9.554 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 -24.074 -16.616 -10.474 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 -23.484 -17.336 -9.274 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 23.278 1.297 -23.396 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 23.278 0.337 -23.426 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 23.728 1.567 -24.196 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 7.444 -7.788 -13.418 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 7.804 -8.028 -12.568 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 8.064 -7.148 -13.778 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 -20.246 -20.074 13.871 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 -19.296 -19.954 13.951 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 -20.466 -19.644 13.041 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 15.758 11.687 18.108 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 16.608 11.297 17.868 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 15.988 12.407 18.688 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 -21.225 14.584 -2.542 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 -21.525 14.204 -3.372 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 -20.405 15.024 -2.762 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 13.967 -5.653 -4.069 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 14.427 -5.913 -3.269 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 14.437 -6.123 -4.769 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 4.865 -8.208 -15.487 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 4.875 -7.248 -15.507 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 5.765 -8.458 -15.667 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 11.545 21.873 -10.684 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 10.735 22.163 -10.264 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 11.825 21.113 -10.174 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 16.286 -10.146 -24.065 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 16.426 -9.466 -24.715 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 16.826 -9.886 -23.315 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 -6.857 -18.150 -18.126 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 -7.317 -17.370 -17.816 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 -6.627 -17.950 -19.036 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 12.949 18.458 -22.066 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 13.779 18.798 -22.406 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 12.549 19.208 -21.626 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 18.227 -12.795 1.775 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 18.697 -13.145 2.535 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 17.577 -13.465 1.565 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 13.471 6.588 15.184 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 14.251 6.518 14.624 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 12.951 5.818 14.974 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 22.768 -6.633 17.031 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 22.668 -6.573 17.981 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 23.558 -7.163 16.901 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 12.034 12.372 -13.063 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 11.274 12.802 -13.463 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 12.134 12.812 -12.213 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 -18.648 -2.512 -0.580 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 -17.838 -2.742 -0.120 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 -18.558 -2.922 -1.440 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 3.648 -0.565 19.184 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 3.518 0.355 19.434 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 3.028 -0.715 18.474 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 -4.844 4.708 -7.024 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 -4.314 4.768 -7.814 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 -5.624 4.238 -7.294 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 -2.408 -19.072 -18.314 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 -2.238 -18.512 -17.554 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 -3.198 -18.692 -18.714 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 24.416 5.903 -15.864 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 24.806 5.123 -15.484 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 25.126 6.533 -15.914 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 -17.863 0.922 6.578 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 -17.543 0.942 7.488 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 -18.813 0.992 6.658 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 19.017 -10.538 19.385 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 19.387 -11.378 19.655 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 19.277 -9.928 20.075 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 -16.665 7.722 -20.679 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 -17.185 7.192 -20.079 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 -16.355 8.452 -20.149 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 10.751 11.578 -17.774 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 9.851 11.818 -17.594 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 11.271 12.288 -17.384 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 -20.569 23.904 22.478 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 -21.059 23.864 21.658 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 -20.259 24.804 22.528 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 11.743 -22.167 12.049 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 11.493 -21.337 11.639 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 12.183 -21.907 12.859 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 19.287 -21.938 -2.381 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 19.327 -22.428 -1.561 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 18.717 -22.458 -2.941 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 -3.447 -3.678 -10.998 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 -3.067 -3.128 -10.308 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 -4.157 -4.158 -10.558 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 16.026 7.879 -22.864 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 16.536 7.219 -23.324 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 15.496 8.299 -23.544 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 -1.687 -1.198 14.972 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 -1.727 -0.278 14.742 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 -2.457 -1.338 15.532 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 0.902 22.173 3.273 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -0.038 22.073 3.133 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 1.272 21.343 2.993 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 12.097 -18.653 -19.330 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 12.077 -17.693 -19.410 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 11.167 -18.903 -19.310 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 2.406 -22.972 -21.667 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 1.836 -23.382 -22.327 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 2.486 -23.622 -20.977 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 -14.827 17.492 5.873 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 -15.067 16.632 6.213 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 -14.157 17.302 5.203 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 19.479 19.801 14.436 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 18.529 19.771 14.336 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 19.809 19.101 13.886 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 7.371 -16.905 16.134 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 7.311 -16.345 16.904 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 6.541 -16.785 15.684 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 -9.184 -23.851 12.789 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 -9.024 -23.361 11.979 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 -9.924 -23.411 13.189 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -13.725 1.674 21.649 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -13.975 0.784 21.879 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -13.165 1.974 22.369 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -2.102 2.138 -23.995 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -2.522 2.388 -23.165 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -2.822 1.828 -24.545 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 -12.011 1.598 -25.373 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 -12.541 2.158 -24.813 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 -11.121 1.938 -25.263 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 -12.556 -17.453 23.183 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 -12.426 -16.773 23.853 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 -13.326 -17.933 23.473 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 -15.197 -3.598 12.812 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 -15.837 -3.028 12.392 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 -15.577 -3.798 13.672 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 2.633 17.382 13.066 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 2.023 16.942 13.656 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 2.553 16.912 12.236 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 16.741 14.060 19.433 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 15.971 14.600 19.623 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 17.221 14.550 18.763 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -19.475 8.852 -18.476 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -19.305 9.772 -18.276 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -20.085 8.562 -17.806 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 15.164 18.295 -2.423 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 15.504 19.185 -2.533 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 15.464 17.835 -3.213 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 11.321 -22.983 19.443 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 11.191 -23.203 18.513 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 12.061 -23.523 19.713 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 -1.757 -22.903 22.018 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 -2.157 -22.063 22.258 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 -0.887 -22.663 21.688 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 -12.623 19.004 16.535 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 -13.513 18.694 16.705 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 -12.543 18.994 15.575 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 19.109 12.399 -5.268 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 18.939 13.319 -5.058 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 18.559 11.909 -4.658 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 14.446 3.139 -3.142 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 14.836 3.309 -2.282 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 13.506 3.079 -2.972 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 19.652 18.577 -16.471 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 18.772 18.307 -16.741 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 19.582 18.717 -15.531 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 -9.238 -4.818 5.595 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 -9.478 -5.568 5.045 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 -8.318 -4.648 5.395 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 16.789 -4.264 23.057 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 16.079 -4.884 23.217 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 16.399 -3.594 22.487 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 -23.017 -14.797 19.041 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 -22.077 -14.667 19.151 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 -23.267 -14.177 18.351 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 1.508 -11.434 -8.648 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 1.538 -12.194 -9.238 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 2.058 -10.774 -9.078 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 -22.143 -9.495 7.106 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 -22.543 -10.365 7.186 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 -22.883 -8.895 7.076 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 -14.812 -13.761 2.310 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 -14.912 -13.681 3.260 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 -13.882 -13.641 2.150 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 24.046 -1.717 -22.798 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 24.106 -2.527 -22.298 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 24.336 -1.037 -22.188 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 13.331 23.111 6.016 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 13.471 24.001 5.696 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 12.381 22.991 5.956 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 10.907 -18.393 -0.674 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 11.107 -19.323 -0.714 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 11.557 -18.023 -0.084 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 11.150 -18.769 -15.354 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 12.061 -19.029 -15.474 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 11.131 -18.349 -14.494 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 13.366 -20.701 -15.427 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 13.216 -21.041 -16.307 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 12.916 -21.321 -14.857 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 -21.987 -16.733 -16.651 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 -21.347 -17.433 -16.521 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 -22.117 -16.703 -17.601 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 17.319 -4.292 -16.691 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 16.939 -3.602 -17.241 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 18.009 -4.682 -17.221 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 16.883 5.332 -23.139 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 17.233 4.442 -23.109 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 15.943 5.232 -23.049 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 -22.703 15.732 8.716 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 -22.243 15.172 8.086 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 -22.053 15.892 9.406 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 -5.022 15.582 -20.367 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 -5.632 16.312 -20.357 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 -4.152 15.992 -20.307 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 -10.188 21.533 -6.039 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 -10.278 21.873 -6.929 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 -9.248 21.553 -5.869 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 -16.912 4.022 7.301 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 -17.332 3.282 6.861 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 -17.622 4.482 7.741 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 -13.292 -14.923 13.520 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 -12.832 -14.083 13.480 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 -12.792 -15.443 14.150 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 10.937 14.775 21.373 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 10.457 14.325 22.063 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 11.497 15.395 21.833 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 2.646 19.062 -17.988 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 2.236 19.382 -18.788 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 3.586 19.112 -18.148 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 13.207 5.186 -16.224 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 13.567 5.886 -16.764 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 13.967 4.716 -15.884 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 8.587 2.837 -2.631 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 8.027 2.497 -1.931 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 9.457 2.497 -2.431 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 -7.053 -6.035 1.923 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 -6.433 -6.705 1.653 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 -7.763 -6.515 2.353 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 23.234 3.337 8.613 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 23.264 2.387 8.623 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 22.404 3.547 8.173 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 8.091 24.203 -6.472 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 7.901 23.273 -6.462 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 7.270 24.603 -6.762 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 1.366 7.722 -11.774 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 1.286 6.792 -11.554 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 1.146 8.172 -10.954 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 -9.017 0.588 5.514 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 -9.117 0.498 4.564 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 -9.407 1.448 5.714 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 -10.917 9.596 -5.553 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 -11.207 9.816 -4.673 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 -11.147 10.356 -6.083 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 0.309 23.712 15.259 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 -0.351 23.082 15.559 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 0.089 24.522 15.719 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 13.515 0.096 2.623 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 14.005 -0.424 1.993 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 12.605 -0.164 2.483 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 24.703 -19.851 -0.465 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 24.743 -20.411 0.305 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 23.773 -19.861 -0.705 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 18.169 -18.268 7.729 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 17.709 -19.098 7.879 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 17.859 -17.698 8.429 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 23.418 19.656 10.376 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 24.258 19.346 10.036 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 23.648 20.116 11.186 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -8.227 -5.457 20.609 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -7.697 -5.117 21.319 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -9.067 -5.007 20.699 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 -7.902 -1.913 -2.948 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 -8.632 -2.413 -2.578 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 -8.062 -1.013 -2.678 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 24.394 -23.575 17.881 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 24.524 -23.625 16.941 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 23.484 -23.855 18.011 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 13.547 6.738 -18.591 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 13.607 5.988 -19.171 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 13.527 7.498 -19.181 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 15.679 18.712 10.556 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 16.299 19.343 10.186 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 15.009 18.603 9.886 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 6.668 -10.549 5.118 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 6.378 -9.759 5.588 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 5.858 -11.009 4.898 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 23.858 8.615 10.070 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 23.838 9.575 10.120 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 23.218 8.335 10.730 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 16.735 24.879 8.289 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 17.245 25.659 8.469 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 17.135 24.509 7.499 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 -6.002 -16.481 -3.636 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 -6.222 -15.961 -4.406 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 -6.842 -16.641 -3.206 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -0.138 -22.506 24.420 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 0.512 -23.136 24.110 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -0.308 -21.946 23.670 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 -9.021 4.133 -2.567 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 -8.221 4.663 -2.617 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 -8.841 3.383 -3.127 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 -21.586 -20.896 -13.226 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 -21.466 -21.646 -13.806 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 -20.706 -20.546 -13.086 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 7.663 -6.846 19.969 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 7.993 -6.746 19.069 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 8.423 -6.666 20.519 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 -23.593 -18.860 -2.189 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 -23.163 -19.680 -1.949 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 -24.363 -18.810 -1.619 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -11.761 -9.725 -12.522 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -11.591 -10.655 -12.362 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -11.661 -9.315 -11.672 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 10.273 16.692 -22.996 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 10.403 17.642 -23.006 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 10.203 16.452 -23.916 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 -11.941 -1.117 -20.030 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 -12.541 -0.877 -19.320 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 -11.771 -2.057 -19.890 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 -2.158 16.412 -11.595 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 -3.068 16.463 -11.305 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 -1.648 16.583 -10.805 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 6.344 -9.268 -20.067 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 6.714 -8.608 -20.647 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 6.704 -9.068 -19.207 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 0.986 3.161 -18.687 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 0.986 4.091 -18.487 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 1.756 3.031 -19.237 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 18.372 -16.442 15.959 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 18.862 -15.742 16.369 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 17.502 -16.402 16.369 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -17.161 -6.890 -5.559 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -17.571 -7.460 -6.209 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -16.531 -7.450 -5.099 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 16.311 -5.644 1.821 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 15.621 -5.114 2.221 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 15.901 -6.484 1.631 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 9.529 -11.138 -17.456 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 9.369 -11.608 -16.636 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 9.279 -10.238 -17.266 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 15.458 -10.630 -16.112 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 14.588 -10.780 -16.482 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 15.888 -10.060 -16.742 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 -17.735 -17.197 10.710 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 -17.765 -17.947 10.130 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 -16.805 -16.947 10.730 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 23.882 3.040 13.342 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 23.142 2.780 13.892 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 24.172 2.230 12.932 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 6.254 -23.967 -12.120 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 6.534 -24.787 -11.710 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 5.864 -23.458 -11.420 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -6.853 7.534 -6.629 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -7.083 6.914 -5.939 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -6.193 8.094 -6.229 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 -17.354 -19.741 13.526 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 -17.294 -20.451 12.886 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 -16.814 -20.021 14.256 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 19.771 22.527 4.684 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 20.551 22.137 5.054 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 20.081 22.977 3.894 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 3.769 -3.780 20.183 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 4.119 -3.460 21.013 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 4.499 -4.230 19.763 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 -14.952 14.502 14.967 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 -14.572 13.742 14.527 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 -15.232 14.172 15.817 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 10.366 -14.249 -18.222 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 10.066 -13.419 -17.842 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 10.016 -14.919 -17.622 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 8.512 -17.028 24.259 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 8.452 -16.428 25.009 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 9.292 -16.728 23.779 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 -9.493 -6.638 8.394 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 -9.303 -6.568 7.454 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 -9.363 -7.558 8.594 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 7.796 1.510 19.437 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 7.176 2.140 19.797 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 8.476 1.450 20.117 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -23.312 -13.151 -10.217 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -24.252 -13.031 -10.087 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -23.002 -13.531 -9.387 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 2.766 15.303 -23.304 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 1.806 15.343 -23.344 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 3.066 15.853 -24.024 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 4.131 -16.047 4.476 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 4.181 -15.577 3.636 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 3.221 -15.937 4.746 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -13.398 17.064 3.745 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -13.598 17.534 2.935 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -13.228 16.164 3.465 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 23.145 -3.464 11.290 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 23.545 -4.254 11.660 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 23.255 -3.554 10.350 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -14.369 21.290 -20.532 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -14.529 22.010 -21.142 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -15.239 20.890 -20.412 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -8.905 -21.337 -5.372 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -9.275 -22.067 -5.862 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -8.105 -21.687 -4.982 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 2.405 -17.642 -13.578 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 2.515 -18.342 -12.938 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 2.325 -16.842 -13.058 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 16.448 21.678 16.670 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 17.148 21.038 16.560 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 16.698 22.168 17.450 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 6.349 4.066 12.406 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 6.019 4.956 12.276 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 6.629 4.056 13.326 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 -15.516 -0.397 24.442 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 -16.106 0.313 24.192 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 -15.586 -1.017 23.712 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 3.114 19.614 -2.774 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 3.004 19.704 -1.834 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 3.014 18.674 -2.944 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -19.265 4.084 -14.469 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -19.005 4.934 -14.829 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -19.165 4.184 -13.519 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 -1.857 -17.550 17.223 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 -1.737 -17.450 18.173 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 -2.807 -17.500 17.103 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 20.405 -15.762 8.374 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 19.615 -15.222 8.384 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 20.295 -16.342 7.624 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 16.989 8.891 18.069 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 16.129 8.991 18.479 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 16.969 8.021 17.669 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -0.071 -15.798 -21.017 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -0.351 -15.238 -21.737 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 0.879 -15.768 -21.037 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 -11.624 -16.301 -5.208 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 -12.544 -16.091 -5.038 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 -11.524 -17.191 -4.848 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 -10.101 -14.133 3.875 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 -9.401 -14.573 3.395 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 -10.851 -14.723 3.795 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 1.336 17.097 20.552 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 0.586 17.657 20.332 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 0.946 16.257 20.812 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -10.578 -17.308 12.366 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -10.888 -16.718 11.676 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -9.728 -16.948 12.616 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 -20.281 -3.497 7.825 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 -20.441 -4.437 7.835 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 -20.181 -3.257 8.745 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 -13.485 4.652 -5.220 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 -13.005 5.442 -5.450 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 -14.365 4.962 -5.010 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 22.949 22.061 17.522 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 22.049 22.371 17.412 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 22.859 21.191 17.902 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 8.097 1.728 -19.630 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 8.927 2.158 -19.790 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 7.687 2.218 -18.920 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 -7.385 -19.972 -14.637 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 -7.465 -20.382 -15.497 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 -8.085 -19.312 -14.627 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 21.441 10.254 7.505 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 21.531 9.304 7.385 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 20.961 10.554 6.735 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 16.707 20.586 -3.570 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 15.887 20.516 -4.060 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 16.767 21.506 -3.330 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 19.107 -18.357 -24.784 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 18.887 -17.577 -25.284 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 18.257 -18.707 -24.494 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 8.193 -5.263 17.420 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 8.983 -4.923 17.000 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 7.773 -4.483 17.800 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 -7.425 2.746 9.830 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 -7.295 3.676 9.620 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 -7.295 2.696 10.780 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 13.463 16.202 11.130 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 13.483 17.092 10.800 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 13.133 15.682 10.400 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 -13.568 -23.863 -24.736 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 -13.508 -24.653 -25.276 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 -14.168 -24.093 -24.026 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 9.335 -19.181 15.100 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 8.745 -18.421 15.110 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 9.485 -19.371 16.030 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 0.547 20.608 -24.119 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 0.657 20.988 -24.989 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 -0.203 21.058 -23.739 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 -15.141 -20.707 4.265 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 -14.221 -20.677 4.505 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 -15.221 -20.057 3.565 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 20.816 7.654 21.094 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 21.756 7.484 21.014 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 20.406 6.924 20.624 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 2.369 -20.267 -14.381 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 1.979 -21.047 -13.991 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 3.139 -20.097 -13.841 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 9.794 -15.065 15.909 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 9.484 -15.855 15.459 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 9.494 -15.165 16.809 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 5.041 18.984 -23.961 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 4.781 19.614 -23.301 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 5.491 19.504 -24.631 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 13.622 -21.700 15.255 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 12.812 -21.820 14.755 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 14.202 -21.210 14.675 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 18.552 2.114 24.439 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 18.082 1.664 23.749 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 18.252 3.024 24.379 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -18.254 14.857 12.621 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -18.444 14.057 13.111 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -17.294 14.847 12.521 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 -16.114 -16.095 0.901 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 -16.404 -15.785 0.041 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 -15.654 -15.355 1.281 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 11.435 -10.444 -3.750 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 11.795 -11.214 -4.200 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 11.635 -9.724 -4.340 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 18.533 -6.588 -15.593 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 18.123 -7.028 -14.843 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 17.803 -6.178 -16.053 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 6.527 -5.201 -23.076 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 5.977 -5.951 -22.836 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 6.827 -4.851 -22.236 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 -0.795 -2.535 22.488 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 -1.025 -3.445 22.668 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 0.015 -2.385 22.968 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 -6.336 -18.752 15.949 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 -6.606 -17.932 15.539 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 -6.956 -19.402 15.619 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 23.939 -19.248 3.667 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 23.059 -19.278 3.307 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 23.809 -19.218 4.617 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 -23.952 13.940 10.746 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 -24.682 14.560 10.836 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 -24.222 13.350 10.036 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 13.829 10.586 8.046 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 14.729 10.746 8.316 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 13.839 10.676 7.096 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 11.932 16.847 23.607 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 11.412 16.057 23.757 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 11.302 17.497 23.297 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 20.182 0.587 13.356 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 19.572 1.317 13.206 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 21.002 1.017 13.616 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -19.606 16.981 14.077 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -19.536 16.031 14.167 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -19.066 17.201 13.317 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 -23.769 2.082 3.406 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 -23.349 2.922 3.246 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 -24.709 2.272 3.416 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 0.905 -3.993 -24.162 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 -0.035 -3.833 -24.022 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 0.975 -4.133 -25.102 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 1.968 -16.846 18.510 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 2.358 -16.886 19.380 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 1.028 -16.946 18.660 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 11.714 24.396 12.927 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 11.604 24.376 13.877 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 12.614 24.126 12.777 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 7.814 14.169 -25.170 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 7.254 13.569 -25.660 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 7.914 13.739 -24.320 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -15.726 10.174 24.710 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -15.176 10.854 25.100 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -15.556 9.394 25.240 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 21.125 15.576 10.397 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 21.345 14.726 10.767 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 20.185 15.666 10.557 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 17.636 9.853 24.934 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 17.906 10.703 24.584 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 18.156 9.223 24.434 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 12.264 17.838 -4.018 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 12.354 18.758 -4.258 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 13.164 17.518 -3.948 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 23.163 -23.753 -4.193 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 23.203 -23.513 -5.123 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 23.883 -24.373 -4.083 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 9.144 -19.155 -19.392 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 8.584 -18.875 -20.122 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 8.604 -19.015 -18.612 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 24.871 -16.095 17.970 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 25.451 -15.895 18.700 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 24.581 -16.985 18.140 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 15.517 -7.602 13.448 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 15.307 -8.332 14.028 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 16.467 -7.502 13.528 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 -1.581 20.772 -8.034 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 -1.231 21.652 -8.174 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 -2.501 20.832 -8.294 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 -5.029 8.321 -24.389 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 -5.330 8.411 -25.299 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 -4.199 8.781 -24.369 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 2.621 24.843 -1.246 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 1.811 25.353 -1.356 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 3.131 25.343 -0.606 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 -17.965 14.650 -10.431 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 -18.895 14.800 -10.291 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 -17.825 14.860 -11.351 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 -18.333 -17.654 -22.254 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 -18.853 -17.284 -22.964 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 -17.533 -17.134 -22.234 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 -1.153 -8.901 -10.307 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 -1.793 -9.471 -9.887 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 -1.163 -9.171 -11.227 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 18.969 -7.540 -20.061 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 18.809 -8.450 -20.301 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 19.479 -7.180 -20.791 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -23.913 -22.427 19.122 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -24.043 -21.967 19.952 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -24.613 -23.087 19.112 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 -20.229 -23.634 10.353 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 -21.049 -24.124 10.243 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 -19.909 -23.894 11.223 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 -21.634 -14.481 24.409 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 -22.104 -15.281 24.659 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 -21.054 -14.761 23.699 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 6.031 -20.945 -8.304 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 5.881 -21.635 -8.954 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 5.621 -20.175 -8.684 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 12.644 -24.498 -6.943 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 13.104 -23.988 -7.603 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 12.124 -23.868 -6.463 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 -24.377 1.502 20.947 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 -24.457 2.382 20.567 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 -25.007 1.492 21.677 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 -12.187 -15.145 16.559 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 -12.357 -14.525 17.269 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 -11.617 -14.675 15.959 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 22.706 18.135 -24.368 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 22.576 18.545 -23.518 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 22.136 17.365 -24.368 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 7.704 -14.002 14.143 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 8.384 -14.652 13.993 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 7.204 -13.962 13.333 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 -4.078 11.065 -17.082 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 -4.748 11.595 -17.522 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 -4.398 10.955 -16.192 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 -12.623 24.634 -4.071 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 -12.833 25.174 -3.301 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 -11.993 23.994 -3.751 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 -4.823 22.328 8.519 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 -4.313 22.198 9.319 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 -4.193 22.658 7.879 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 -3.316 -11.944 2.219 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 -2.586 -11.784 1.619 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 -4.026 -12.244 1.649 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 14.453 10.048 5.069 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 14.273 9.108 5.179 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 15.193 10.078 4.459 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 -5.855 -8.345 -24.211 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 -6.125 -8.935 -23.511 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 -6.435 -7.585 -24.111 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 8.122 -15.258 18.403 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 9.052 -15.198 18.643 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 7.802 -14.358 18.443 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 -9.586 -14.527 -8.371 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 -9.416 -14.778 -9.281 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 -8.796 -14.057 -8.101 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 -22.518 -9.452 -14.010 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 -22.498 -10.322 -14.420 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 -21.668 -9.072 -14.190 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 -1.539 -13.957 24.418 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 -1.189 -13.307 25.028 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 -2.489 -13.877 24.498 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 22.714 -19.867 11.091 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 22.624 -19.957 10.141 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 22.454 -18.967 11.271 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -0.251 -11.046 15.123 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -1.031 -10.726 14.673 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 0.329 -11.356 14.423 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 3.758 9.456 14.824 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 3.648 10.326 15.214 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 2.868 9.096 14.774 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 14.253 21.137 -5.196 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 13.943 21.277 -6.096 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 14.543 22.007 -4.916 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -21.498 7.101 10.287 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -21.808 7.911 10.697 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -21.238 7.371 9.407 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 -3.499 -22.419 -7.164 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 -2.929 -23.189 -7.134 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 -4.329 -22.749 -7.494 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 2.259 9.331 -25.127 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 3.169 9.611 -25.027 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 2.299 8.371 -25.127 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 3.531 22.502 -3.733 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 3.501 21.552 -3.763 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 3.941 22.752 -4.563 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 -9.573 18.607 -6.984 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 -9.723 19.397 -6.454 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 -8.993 18.067 -6.444 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 11.096 -7.551 21.753 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 10.186 -7.811 21.853 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 11.526 -7.861 22.543 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 23.663 -23.065 0.878 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 23.473 -23.995 0.738 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 22.813 -22.645 0.898 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 18.006 13.313 24.978 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 18.306 14.223 24.978 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 18.526 12.883 25.648 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 19.046 -11.774 6.629 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 18.456 -12.074 5.939 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 18.486 -11.604 7.379 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 19.421 -11.784 14.507 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 20.331 -11.994 14.297 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 19.001 -11.664 13.657 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 10.213 -22.880 -16.764 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 9.763 -22.140 -16.354 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 10.053 -23.610 -16.174 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 15.180 -8.306 -4.178 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 14.411 -8.796 -4.458 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 15.911 -8.716 -4.638 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 18.391 5.191 -8.281 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 18.221 4.341 -8.691 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 18.001 5.121 -7.411 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 24.346 7.412 -1.929 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 24.756 6.602 -1.629 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 23.476 7.142 -2.239 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 9.621 4.716 -0.022 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 10.551 4.506 -0.102 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 9.561 5.636 -0.302 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 18.512 16.350 1.255 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 18.562 17.280 1.035 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 17.692 16.050 0.865 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 9.107 -0.549 -18.535 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 9.197 0.331 -18.895 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 9.437 -0.479 -17.635 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 -10.053 22.253 20.316 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 -9.153 21.953 20.296 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 -10.423 21.963 19.476 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 -6.823 -7.939 9.655 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 -6.793 -7.209 9.025 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 -5.903 -8.129 9.835 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 20.833 -18.772 -2.858 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 21.493 -19.282 -3.328 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 21.333 -18.072 -2.438 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 -1.276 -7.346 -21.349 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 -2.066 -7.386 -21.889 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 -1.596 -7.126 -20.469 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 22.774 -13.445 -5.386 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 21.964 -13.945 -5.456 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 22.684 -12.735 -6.016 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 2.208 16.256 -17.496 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 1.588 16.306 -18.226 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 2.778 17.016 -17.626 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 -7.134 -23.662 -3.301 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 -6.874 -24.572 -3.381 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 -6.494 -23.172 -3.801 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -15.848 -24.229 -14.597 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -15.828 -23.889 -13.707 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -15.028 -23.909 -14.987 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -12.268 21.157 0.053 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -11.588 21.607 0.553 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -11.898 21.077 -0.827 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 -13.281 -18.488 -16.970 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 -13.831 -17.708 -16.870 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 -13.901 -19.218 -16.870 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 -7.859 15.613 14.103 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 -8.019 14.903 13.483 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 -8.679 15.683 14.593 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 -4.152 -20.588 21.247 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 -4.252 -21.538 21.187 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 -5.032 -20.248 21.077 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -18.453 -11.417 -12.342 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -19.383 -11.637 -12.252 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -18.413 -10.477 -12.192 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 20.196 -17.477 -18.528 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 20.556 -16.797 -17.958 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 19.546 -17.927 -17.978 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 23.492 1.757 4.846 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 23.632 0.927 4.386 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 23.392 2.407 4.156 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 -7.346 8.181 7.346 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 -7.436 7.421 6.776 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 -6.516 8.051 7.806 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -22.753 11.641 2.730 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -22.303 10.881 2.360 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -22.083 12.331 2.760 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 -4.509 -17.684 -1.734 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 -5.189 -17.274 -2.274 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 -3.839 -17.014 -1.654 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 11.517 -2.258 -10.024 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 12.207 -1.718 -10.414 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 10.977 -2.538 -10.764 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -9.474 11.626 23.336 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -8.634 12.036 23.136 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -9.254 10.926 23.956 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 -14.226 -10.394 -2.524 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 -14.156 -10.064 -1.634 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 -14.796 -11.154 -2.454 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 -9.301 6.951 11.838 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 -8.771 7.541 11.308 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 -8.681 6.281 12.158 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 3.683 -8.783 -4.115 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 2.753 -8.803 -3.915 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 4.083 -8.363 -3.355 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 10.557 -5.888 -9.881 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 10.997 -5.038 -9.781 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 11.037 -6.478 -9.301 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 -13.756 16.581 8.510 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 -14.146 17.121 7.830 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 -13.126 16.021 8.040 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 -5.707 1.962 15.387 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 -5.807 1.642 16.287 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 -4.897 1.542 15.087 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 20.687 -7.028 -4.288 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 20.297 -7.398 -3.488 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 19.937 -6.858 -4.858 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 -14.472 6.381 5.427 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 -14.032 5.541 5.567 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 -15.402 6.181 5.507 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 -6.088 -23.624 17.301 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 -5.838 -23.994 16.451 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 -6.248 -22.694 17.121 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 16.688 6.988 -16.320 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 17.618 7.128 -16.150 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 16.468 7.638 -16.990 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 -19.866 -16.012 -5.255 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 -19.696 -16.492 -6.065 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 -20.706 -16.342 -4.945 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 -18.341 -9.075 -7.031 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 -18.031 -9.295 -7.911 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 -18.021 -9.775 -6.471 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 16.397 -5.415 -7.362 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 15.957 -4.715 -6.872 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 15.917 -5.465 -8.192 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 -17.978 -3.427 -7.955 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 -17.908 -3.718 -8.865 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 -17.428 -2.647 -7.895 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 -1.975 18.329 -19.994 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 -1.525 17.559 -19.654 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 -2.145 18.869 -19.214 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 19.693 5.141 0.427 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 20.253 4.391 0.247 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 18.803 4.801 0.327 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 -24.517 3.810 9.118 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 -24.877 4.560 9.598 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 -25.277 3.410 8.698 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -20.616 -16.757 9.960 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -19.716 -16.427 9.880 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -20.836 -16.627 10.880 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 24.152 22.541 23.407 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 24.922 22.011 23.207 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 24.122 23.201 22.717 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 -22.099 25.462 -0.720 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 -21.919 24.552 -0.980 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 -22.489 25.382 0.150 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 13.538 2.647 -6.373 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 13.238 3.477 -6.003 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 14.198 2.327 -5.753 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 -3.009 -20.748 -20.510 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 -2.429 -20.428 -19.820 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 -3.039 -20.048 -21.160 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 7.954 18.055 -20.946 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 7.734 17.835 -20.046 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 8.904 17.995 -20.986 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 -3.328 12.009 24.598 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 -3.928 11.459 24.098 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 -3.858 12.779 24.838 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 -22.454 4.142 -19.859 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 -22.494 5.102 -19.759 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 -21.924 3.852 -19.119 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 -3.261 23.201 13.199 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 -2.971 23.491 14.059 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 -3.091 23.941 12.619 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 -11.260 21.945 -22.836 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 -10.939 21.625 -21.996 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 -10.600 22.575 -23.126 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 -9.731 -10.161 -6.485 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 -10.051 -9.731 -7.275 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 -9.701 -9.461 -5.835 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 -17.538 13.215 -7.854 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 -17.788 13.605 -8.694 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 -17.208 12.345 -8.084 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 11.035 -12.316 5.383 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 10.445 -11.906 4.753 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 10.515 -12.396 6.183 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 17.291 21.157 2.421 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 17.311 20.987 3.361 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 17.521 20.327 2.021 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 3.669 -7.290 19.246 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 3.469 -7.590 20.136 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 3.389 -8.020 18.686 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 19.133 -7.048 25.477 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 19.483 -7.838 25.077 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 18.273 -6.938 25.077 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 -10.524 -11.398 -10.632 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 -10.794 -12.298 -10.802 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 -9.564 -11.428 -10.602 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 21.999 -12.469 -2.600 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 22.039 -11.859 -1.860 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 21.949 -11.899 -3.370 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 -19.957 -20.292 17.502 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 -19.247 -20.622 18.042 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 -20.487 -21.062 17.292 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 -9.448 5.833 -4.717 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 -9.448 5.623 -5.647 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 -9.698 5.023 -4.277 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 13.867 2.751 2.306 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 13.877 1.801 2.406 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 14.267 3.091 3.106 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 10.933 5.397 -17.707 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 11.163 5.857 -18.507 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 11.743 5.407 -17.187 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 -14.638 -3.930 -15.170 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 -14.098 -4.610 -15.560 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 -15.398 -3.860 -15.750 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 14.770 -24.733 -25.458 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 13.811 -24.673 -25.458 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 15.001 -24.903 -24.548 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 12.064 -3.691 0.793 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 12.044 -2.731 0.743 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 12.654 -3.951 0.083 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 12.058 -16.181 -2.853 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 11.588 -15.441 -2.473 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 11.398 -16.861 -2.963 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 -5.112 -14.415 -16.826 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 -5.192 -14.075 -17.716 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 -4.382 -13.925 -16.446 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 17.103 23.343 -12.860 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 17.923 23.753 -12.590 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 16.423 23.993 -12.650 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 5.064 -24.905 -14.246 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 5.704 -24.865 -14.956 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 5.534 -24.565 -13.486 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 21.417 -7.521 23.444 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 21.607 -7.521 22.504 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 21.707 -6.661 23.754 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 -23.128 5.899 -3.752 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 -22.228 6.239 -3.752 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 -23.378 5.879 -4.672 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 -13.796 7.166 -15.044 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 -13.286 7.906 -14.724 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 -13.506 7.046 -15.954 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 17.366 0.761 -3.560 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 18.186 0.761 -4.060 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 17.636 0.851 -2.650 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 1.293 -15.387 -15.343 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 1.733 -15.097 -16.143 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 1.613 -16.277 -15.193 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 -0.075 11.083 20.918 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 -1.005 11.203 20.708 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 0.275 10.563 20.198 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 -10.626 12.614 6.691 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 -10.916 12.204 7.511 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 -10.136 11.924 6.241 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 -8.211 -18.548 -21.739 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 -7.361 -18.448 -21.309 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 -8.121 -19.368 -22.239 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 0.269 20.135 22.353 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 -0.021 21.025 22.143 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 -0.171 19.585 21.703 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 22.008 -15.075 -13.737 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 22.228 -15.945 -13.397 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 22.078 -15.155 -14.687 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 -5.342 5.898 16.951 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 -4.812 6.198 16.211 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 -6.022 6.568 17.051 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 -3.781 -15.174 19.024 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 -3.271 -15.174 19.834 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 -4.581 -15.644 19.254 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 -10.418 -23.261 -6.216 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 -10.338 -24.141 -5.846 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 -11.018 -22.801 -5.636 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 3.626 -5.344 -8.064 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 3.496 -6.174 -7.594 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 4.576 -5.194 -8.024 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 6.338 4.123 25.054 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 7.238 4.433 25.154 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 5.828 4.923 24.944 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 -24.556 -13.633 -23.696 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 -24.986 -14.343 -24.176 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 -23.996 -14.073 -23.066 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 -15.689 -18.499 2.900 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -15.289 -17.939 2.230 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 -16.099 -17.889 3.510 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 -20.741 -14.225 -17.890 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 -21.241 -14.695 -18.560 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 -20.041 -13.795 -18.380 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 -7.334 -11.490 -5.607 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 -7.954 -11.050 -6.187 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 -7.074 -10.820 -4.967 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 14.568 -12.842 -10.824 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 15.108 -13.582 -10.544 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 13.858 -12.812 -10.184 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 23.747 24.203 1.581 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 24.077 23.313 1.461 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 23.847 24.373 2.521 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 13.297 -11.245 22.039 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 12.347 -11.125 22.059 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 13.607 -10.655 21.349 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 -25.255 15.291 0.779 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 -24.505 14.851 1.169 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 -25.385 16.071 1.309 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 -21.075 -15.435 14.857 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 -20.345 -14.845 15.087 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 -20.705 -16.315 14.937 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 -24.358 -14.464 6.140 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 -24.958 -13.734 5.970 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 -24.928 -15.224 6.190 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 23.185 18.922 15.007 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 22.355 18.492 15.207 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 23.575 18.362 14.327 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 -23.473 0.342 17.702 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 -24.063 0.792 17.102 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 -23.293 -0.498 17.282 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 18.726 -16.655 13.236 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 19.556 -16.295 13.546 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 18.246 -16.875 14.026 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 -11.195 -4.836 9.890 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 -10.415 -5.186 9.470 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 -11.215 -3.916 9.640 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 -3.184 -25.227 -4.550 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 -3.904 -25.257 -3.930 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 -3.374 -24.467 -5.110 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 3.270 20.161 15.693 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 3.691 19.901 14.873 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 3.991 20.311 16.303 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 -19.576 23.467 -11.608 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 -19.056 23.427 -10.808 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 -20.086 22.657 -11.608 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 -19.987 3.992 -2.155 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 -20.287 3.092 -2.285 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 -20.127 4.152 -1.215 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.639 -16.239 21.176 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.789 -15.719 20.386 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 7.229 -15.859 21.836 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -21.259 -16.625 0.411 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -20.439 -16.525 0.871 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -21.429 -17.565 0.421 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -17.945 -10.821 -4.868 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -18.095 -11.661 -4.428 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -17.075 -10.901 -5.258 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -8.511 -23.909 4.816 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -8.421 -23.739 5.746 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -7.611 -23.839 4.476 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -10.378 -9.204 -8.808 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -10.498 -8.384 -9.298 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -10.388 -9.884 -9.478 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 -19.426 7.981 -21.162 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 -19.566 7.731 -20.252 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 -18.526 8.291 -21.192 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -22.564 -11.736 20.228 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -22.324 -10.856 19.958 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -21.824 -12.286 19.958 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 -22.173 -19.178 0.448 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 -22.103 -20.088 0.738 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 -23.063 -18.918 0.698 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 -15.054 3.352 -13.621 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 -14.584 2.522 -13.711 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 -15.954 3.152 -13.871 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 -5.613 25.110 -13.646 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 -5.183 25.750 -13.086 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 -5.173 24.290 -13.456 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 7.286 15.437 -21.435 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 7.586 16.267 -21.815 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 6.526 15.687 -20.905 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 20.522 17.792 5.310 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 21.262 17.252 5.570 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 19.852 17.172 5.020 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 -0.991 -20.334 -5.964 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 -0.121 -19.944 -6.034 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 -1.191 -20.634 -6.844 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -16.087 15.336 2.035 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -15.147 15.496 1.955 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 -16.487 15.976 1.445 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 20.679 6.778 -9.219 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 19.779 6.768 -8.899 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 21.189 6.398 -8.499 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 -17.621 -16.387 4.761 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 -17.141 -15.997 5.491 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 -17.871 -15.637 4.211 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 19.719 -22.718 12.002 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 20.169 -22.528 11.182 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 20.409 -22.658 12.672 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -22.862 -1.575 10.924 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -22.242 -0.865 10.734 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -23.622 -1.385 10.374 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 15.036 -19.433 13.372 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 15.686 -19.503 12.682 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 15.256 -18.633 13.842 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 3.317 -18.083 -0.904 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 2.477 -18.333 -0.534 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 3.497 -18.733 -1.574 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 11.106 12.100 20.554 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 10.846 12.990 20.304 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 11.426 12.190 21.454 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 -24.677 -16.248 20.434 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 -25.097 -15.818 21.174 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 -23.847 -15.778 20.314 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 15.633 -16.558 -18.317 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 15.703 -17.218 -17.627 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 15.453 -17.058 -19.107 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 -16.051 5.747 -10.509 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 -15.461 5.037 -10.769 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 -15.831 6.467 -11.089 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 3.545 8.890 -19.844 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 3.305 8.520 -18.994 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 4.325 9.420 -19.654 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 16.175 16.522 -20.253 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 16.995 16.632 -19.763 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 16.295 17.062 -21.043 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 -17.891 4.923 11.559 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 -18.291 5.733 11.859 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 -16.981 5.153 11.389 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -3.733 -16.158 21.611 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -4.113 -17.018 21.461 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -4.383 -15.698 22.141 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -10.679 17.126 -24.434 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -11.139 17.006 -25.264 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -10.449 18.056 -24.414 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 -13.861 18.369 1.476 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 -14.801 18.529 1.446 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 -13.481 19.209 1.766 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -16.534 -22.589 -23.484 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -16.704 -23.459 -23.114 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 -16.934 -22.629 -24.364 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 19.807 -15.177 18.239 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 20.677 -15.577 18.129 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 19.977 -14.237 18.259 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 24.933 -7.970 16.812 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 25.143 -8.900 16.922 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 25.693 -7.610 16.352 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 14.495 7.297 22.947 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 13.665 7.777 22.867 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 14.995 7.557 22.167 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -20.294 -10.859 16.493 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -19.724 -10.189 16.873 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -21.174 -10.489 16.543 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -12.866 -3.721 4.443 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -13.186 -3.911 3.563 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -13.336 -4.341 5.013 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 12.688 -21.505 25.079 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 12.588 -20.625 24.719 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 12.018 -22.025 24.639 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 7.885 10.278 -23.070 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 7.215 10.188 -22.390 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 8.445 10.988 -22.760 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -5.575 22.626 21.326 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -5.355 22.056 20.596 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -5.045 22.316 22.056 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 10.786 -22.953 7.780 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 10.766 -22.003 7.890 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 11.066 -23.293 8.630 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 -14.461 10.014 19.761 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 -15.021 10.484 19.141 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 -15.031 9.844 20.511 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -7.812 8.463 -3.877 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -8.162 9.253 -3.467 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -8.492 8.173 -4.487 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 -19.674 -9.117 11.671 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 -18.824 -9.157 12.121 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 -20.274 -8.777 12.341 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 1.284 -11.472 -24.161 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 1.094 -11.542 -25.101 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 1.504 -10.552 -24.021 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 16.589 -17.841 18.045 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 17.009 -18.681 17.845 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 15.659 -18.031 18.055 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 9.742 0.313 -21.585 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 8.922 -0.027 -21.955 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 9.592 0.323 -20.645 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 18.240 -5.511 -0.344 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 17.860 -5.231 -1.174 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 17.521 -5.911 0.136 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 -7.323 -4.769 -1.538 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 -7.903 -5.149 -0.878 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 -7.723 -3.929 -1.768 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 -22.063 3.011 17.569 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 -22.403 3.831 17.939 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 -22.813 2.421 17.569 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 -4.227 3.836 -21.985 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 -4.857 4.386 -22.455 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 -3.637 4.446 -21.555 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 18.101 17.828 -4.571 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 17.901 18.698 -4.221 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 18.641 17.998 -5.341 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 -0.874 2.359 21.392 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 -0.724 2.919 22.152 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 -0.074 2.469 20.862 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 -5.191 -20.864 16.853 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 -4.661 -21.004 17.633 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 -5.191 -19.914 16.733 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 0.728 23.818 7.954 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 1.368 23.448 7.344 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 0.528 24.688 7.594 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 4.762 6.164 -4.675 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 4.312 6.904 -4.265 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 5.402 5.884 -4.025 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 -22.731 -6.965 0.284 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 -22.301 -6.705 -0.526 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 -22.241 -7.735 0.584 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 -23.806 16.232 23.573 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 -24.096 15.322 23.633 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 -24.616 16.732 23.453 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 4.977 -8.513 -0.401 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 5.487 -7.733 -0.201 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 4.677 -8.833 0.459 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -14.457 22.465 -6.880 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -13.637 21.975 -6.860 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -14.307 23.215 -6.300 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -16.919 5.373 -23.311 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -16.799 5.923 -22.541 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -17.859 5.443 -23.501 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 2.883 -1.060 -19.415 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 2.363 -1.640 -18.865 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 3.683 -1.540 -19.585 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 19.794 18.902 -13.962 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 20.574 18.382 -13.782 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 19.064 18.372 -13.642 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 13.953 22.351 11.323 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 14.363 21.541 11.623 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 14.643 22.801 10.833 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -17.477 -6.791 -11.411 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -17.167 -6.411 -12.241 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -18.067 -6.121 -11.061 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 -9.621 5.984 6.517 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 -10.411 6.484 6.727 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 -9.481 5.424 7.267 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 -13.594 8.492 -7.718 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 -13.054 7.722 -7.538 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 -13.754 8.462 -8.658 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 22.095 -6.398 19.730 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 22.935 -6.528 20.170 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 21.735 -5.608 20.120 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 23.776 -15.840 5.836 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 23.486 -16.460 5.166 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 23.306 -15.030 5.636 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 6.507 -13.832 0.609 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 6.537 -13.522 -0.301 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 7.377 -14.212 0.749 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 17.045 8.367 2.510 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 17.525 7.557 2.330 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 17.505 9.037 1.990 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 -12.432 -22.595 -20.831 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 -12.462 -23.545 -20.881 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 -12.832 -22.375 -19.981 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 0.393 -20.677 -1.284 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 0.213 -19.857 -0.814 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 1.053 -21.117 -0.754 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 -14.543 4.311 -1.212 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 -14.363 4.111 -0.292 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 -15.013 3.541 -1.532 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 -9.045 -21.382 -24.597 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 -9.375 -20.912 -23.827 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 -9.395 -22.272 -24.507 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 -16.108 -8.619 10.999 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 -15.788 -7.869 10.489 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 -16.578 -9.149 10.369 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 24.778 -2.304 -11.896 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 25.118 -2.854 -12.606 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 23.878 -2.114 -12.156 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 23.782 -5.866 7.329 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 23.392 -6.696 7.599 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 23.372 -5.216 7.909 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 -0.166 -19.916 17.719 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 0.524 -20.246 18.299 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 -0.476 -20.686 17.239 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 -17.425 -1.306 16.796 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 -17.335 -0.736 17.556 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 -16.875 -0.906 16.126 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -2.880 0.312 -13.224 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -3.110 1.232 -13.084 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -3.149 0.132 -14.124 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -19.142 4.597 8.773 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -18.612 4.067 9.383 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -19.692 5.127 9.343 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 -17.655 -17.360 20.661 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 -17.845 -17.490 21.591 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 -17.985 -18.150 20.231 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 21.274 0.871 24.218 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 21.594 0.091 23.768 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 20.344 0.691 24.378 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 -24.325 -6.027 -6.494 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 -24.905 -6.797 -6.484 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 -23.445 -6.397 -6.554 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -3.399 22.925 2.889 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -4.179 22.445 2.599 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -2.869 23.025 2.099 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 1.827 -22.148 18.736 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 2.237 -22.988 18.956 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 2.437 -21.718 18.146 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 -2.657 9.748 -24.731 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 -2.847 10.498 -25.291 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 -1.707 9.798 -24.571 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 -7.754 24.332 12.455 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 -8.284 25.102 12.645 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 -8.024 23.692 13.115 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -23.763 -16.313 -5.986 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -24.613 -16.533 -6.376 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -23.333 -17.153 -5.846 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 -10.256 0.227 -3.186 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 -10.896 0.887 -3.446 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 -10.566 -0.583 -3.606 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 13.991 -17.750 -1.736 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 14.071 -18.660 -2.046 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 13.371 -17.350 -2.336 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 15.596 6.038 -0.180 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 15.796 5.248 0.320 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 15.856 6.758 0.390 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 14.074 -19.912 10.687 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 13.774 -19.802 11.597 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 13.944 -20.842 10.507 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 -20.604 -14.286 5.974 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 -19.944 -13.706 6.334 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 -20.474 -15.116 6.434 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 -20.452 -18.152 3.619 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 -21.402 -18.092 3.659 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 -20.202 -17.592 2.879 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 1.458 9.131 -9.377 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 1.468 8.681 -8.527 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 0.908 9.901 -9.227 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 -16.762 15.000 25.345 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 -16.512 15.240 24.455 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 -15.942 14.750 25.765 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 -2.033 -8.220 17.976 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 -2.683 -7.550 18.176 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 -1.233 -7.720 17.766 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 12.941 5.671 0.041 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 13.701 6.021 -0.429 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 13.140 4.731 0.151 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 -19.012 9.083 15.163 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 -19.082 8.203 15.533 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 -19.212 9.673 15.883 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 -11.715 -23.038 -17.688 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 -10.955 -23.608 -17.748 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 -11.425 -22.298 -17.158 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 -15.771 -11.244 1.219 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 -15.401 -12.124 1.189 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 -16.171 -11.124 0.359 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -12.708 16.916 -18.442 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -12.218 17.256 -19.192 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -13.618 17.166 -18.612 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 2.003 -22.542 22.569 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 2.313 -23.252 22.009 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 2.203 -21.742 22.079 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 13.009 -17.259 1.701 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 13.189 -17.689 0.871 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 13.849 -16.909 1.991 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 10.322 -18.739 9.690 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 10.742 -18.189 10.360 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 9.432 -18.389 9.620 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 24.159 -22.348 12.154 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 24.159 -21.508 11.704 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 23.239 -22.578 12.244 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 -1.761 16.983 6.066 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 -1.971 17.683 6.686 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 -0.961 16.593 6.406 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -11.276 20.696 -14.805 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -11.286 19.746 -14.905 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -12.176 20.966 -14.975 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 -23.889 13.530 6.382 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 -23.819 12.920 7.122 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 -24.809 13.470 6.112 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 -13.917 9.112 -10.197 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 -14.847 9.342 -10.137 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 -13.457 9.942 -10.057 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 17.688 16.334 8.049 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 18.378 16.484 8.699 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 18.108 15.804 7.369 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -16.572 -1.148 5.756 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -17.282 -0.598 6.096 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -16.372 -1.747 6.476 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 6.283 -17.515 9.113 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 6.463 -16.725 9.623 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 6.643 -17.335 8.243 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -0.426 -13.222 -4.704 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -0.166 -12.582 -4.034 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 0.384 -13.422 -5.164 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -8.771 -7.177 -18.397 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -9.101 -6.817 -19.217 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -7.841 -7.317 -18.547 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -1.873 -1.849 -21.676 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -1.183 -2.509 -21.606 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -1.423 -1.019 -21.496 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -6.236 -22.734 12.469 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -6.616 -23.614 12.449 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -5.566 -22.754 11.789 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 18.752 -21.009 -16.179 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 19.672 -20.749 -16.249 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 18.762 -21.759 -15.589 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 -17.500 5.311 15.109 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 -17.629 5.541 16.029 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 -16.859 5.951 14.789 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 -0.826 16.963 -9.078 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 -0.006 16.503 -8.908 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 -0.636 17.883 -8.898 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 -21.358 -6.204 -21.904 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 -21.958 -6.404 -22.624 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 -21.148 -5.274 -22.014 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 -17.902 21.865 2.933 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 -17.472 21.815 2.073 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 -18.452 22.645 2.883 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 23.789 22.561 -24.176 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 23.499 23.441 -23.936 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 23.689 22.531 -25.126 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 15.909 -1.527 19.629 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 16.669 -1.357 20.179 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 16.259 -1.987 18.859 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 -14.404 0.313 -23.107 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 -15.134 -0.077 -22.617 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 -14.504 -0.027 -23.997 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 22.142 -22.191 -18.453 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 22.212 -23.061 -18.053 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 22.722 -21.641 -17.943 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 -3.842 -14.091 -22.994 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 -4.752 -14.371 -22.944 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 -3.342 -14.881 -23.194 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 6.474 -22.333 -4.200 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 6.444 -21.713 -4.930 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 6.634 -21.783 -3.430 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 -7.962 -15.800 7.576 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 -8.592 -15.200 7.986 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 -7.442 -16.130 8.306 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 -6.207 -16.217 19.776 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 -7.117 -16.337 19.496 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 -6.277 -15.937 20.686 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 15.537 4.520 23.999 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 16.447 4.280 23.859 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 15.447 5.370 23.569 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 15.056 16.560 -4.720 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 14.456 15.820 -4.800 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 15.876 16.180 -4.410 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 2.863 -12.796 -16.561 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 1.943 -12.696 -16.791 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 3.063 -12.026 -16.031 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -19.415 -11.242 -2.041 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -19.615 -12.162 -1.881 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -20.135 -10.762 -1.631 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 21.452 0.007 -21.604 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 21.102 -0.043 -22.494 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 21.082 -0.753 -21.154 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 -20.201 20.437 -20.525 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 -20.591 21.117 -21.065 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 -20.631 20.517 -19.675 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 -2.685 11.281 20.118 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 -2.715 12.171 19.768 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 -3.405 11.241 20.748 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 -16.015 -23.543 8.442 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 -16.465 -23.333 7.622 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 -15.085 -23.463 8.232 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 -4.815 -12.219 -13.331 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 -5.195 -12.849 -12.711 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 -4.405 -11.549 -12.771 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 -21.525 -11.486 0.186 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 -21.705 -11.876 -0.664 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 -22.365 -11.126 0.476 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 -9.482 -20.061 -10.761 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 -10.052 -20.351 -11.481 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 -9.752 -20.601 -10.021 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 -14.421 17.161 -22.291 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 -14.411 17.661 -23.111 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 -13.651 17.481 -21.811 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 -12.764 1.103 11.455 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 -13.154 0.253 11.255 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 -11.964 0.883 11.955 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 21.066 13.102 11.771 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 20.276 13.102 12.311 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 20.766 12.752 10.931 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 -14.684 -0.117 -3.605 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 -14.784 0.533 -2.905 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 -15.484 -0.047 -4.115 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 20.023 -22.478 -13.529 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 20.323 -21.628 -13.859 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 19.703 -22.288 -12.649 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 9.176 -11.998 -0.074 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 9.336 -12.708 -0.694 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 8.876 -11.268 -0.614 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 15.126 -11.850 17.214 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 15.056 -12.770 16.944 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 15.346 -11.890 18.144 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 16.592 -0.773 -23.076 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 17.262 -0.083 -22.976 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 16.982 -1.543 -22.666 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 -9.553 8.805 18.504 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 -9.813 9.135 19.364 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 -10.313 8.985 17.944 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 17.312 -2.780 -2.044 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 18.212 -2.470 -1.984 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 17.052 -2.590 -2.944 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 -3.241 19.348 -22.828 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 -2.911 19.038 -21.978 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 -2.781 20.178 -22.958 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 10.576 14.894 -16.245 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 9.686 14.564 -16.335 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 10.676 15.514 -16.965 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -22.698 2.495 -6.110 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -23.178 2.175 -5.350 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 -23.308 2.405 -6.840 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 4.897 4.112 -20.556 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 5.317 3.912 -21.396 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 4.327 3.362 -20.396 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -22.113 19.201 6.497 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -21.173 19.181 6.297 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -22.473 18.471 6.007 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 -10.415 -10.517 19.071 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 -10.735 -10.927 18.271 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 -9.515 -10.817 19.151 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 -21.423 23.497 -4.375 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 -22.143 24.087 -4.585 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 -21.003 23.887 -3.615 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 7.008 -18.199 -3.594 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 7.648 -18.889 -3.414 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 7.358 -17.749 -4.364 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 -5.665 23.617 15.136 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 -6.625 23.547 15.146 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 -5.495 24.487 14.776 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 2.458 2.054 18.560 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 2.058 2.614 19.220 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 3.328 2.424 18.420 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -17.829 -23.639 -17.924 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -18.759 -23.659 -17.734 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -17.439 -24.239 -17.294 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 -7.768 -22.618 -7.895 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 -7.288 -23.448 -7.825 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 -8.478 -22.708 -7.265 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 -23.045 -14.598 12.658 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 -23.175 -14.218 13.528 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 -22.155 -14.958 12.688 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 -18.790 9.005 10.940 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 -19.749 8.985 10.870 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -18.480 8.705 10.080 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 5.498 19.710 12.427 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 5.128 18.850 12.227 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 6.438 19.580 12.347 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 -8.519 1.431 -7.473 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 -8.179 1.911 -6.723 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 -8.889 0.631 -7.083 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 16.654 19.991 13.608 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 16.504 20.431 12.768 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 15.874 20.191 14.128 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 15.734 -8.290 -11.803 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 15.044 -8.390 -12.453 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 16.014 -9.190 -11.613 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 16.407 11.214 -8.256 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 15.597 10.714 -8.176 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 17.077 10.554 -8.436 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 20.969 -12.414 -11.460 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 21.329 -11.634 -11.030 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 20.919 -12.174 -12.380 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 16.783 23.461 -2.231 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 17.133 23.391 -1.341 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 17.383 24.051 -2.681 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 -24.119 -19.938 -23.178 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 -23.559 -20.668 -23.428 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 -23.589 -19.428 -22.568 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 22.174 16.848 -21.051 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 21.354 17.288 -21.301 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 22.274 17.048 -20.121 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 10.025 -16.100 1.316 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 10.975 -16.080 1.416 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 9.815 -17.030 1.226 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 2.073 7.612 -15.578 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 2.553 7.292 -16.348 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 2.153 8.562 -15.628 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -6.358 11.730 -7.232 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -7.268 11.440 -7.162 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -6.238 12.320 -6.492 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 -20.343 11.442 -13.967 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 -20.203 10.582 -13.577 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 -20.073 12.062 -13.277 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 4.055 -7.550 -12.879 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 4.505 -6.710 -12.799 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 4.465 -7.970 -13.639 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 16.187 -11.216 5.485 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 15.367 -11.366 5.005 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 15.907 -10.886 6.335 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 19.806 11.155 -19.175 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 20.486 10.505 -19.345 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 20.246 11.995 -19.325 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 14.352 -14.532 -20.234 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 14.702 -13.942 -19.564 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 14.422 -14.042 -21.054 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 12.525 -21.470 -0.118 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 12.095 -21.750 -0.918 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 13.295 -22.040 -0.038 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 0.229 5.524 -20.193 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 -0.301 6.254 -20.523 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 -0.391 4.804 -20.083 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 -12.489 -16.343 -21.929 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 -12.619 -16.913 -21.179 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 -12.839 -15.493 -21.659 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 9.240 -20.773 -23.716 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 8.441 -20.963 -24.206 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 9.131 -21.223 -22.876 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 -6.434 1.736 -2.563 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 -6.094 2.556 -2.213 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 -6.104 1.056 -1.973 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 7.412 -3.444 -24.490 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 7.682 -2.904 -23.750 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 6.962 -4.194 -24.090 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 -24.624 -8.588 8.387 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 -23.954 -9.228 8.647 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 -25.394 -8.838 8.887 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 -23.904 -2.668 -0.616 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 -23.044 -2.408 -0.956 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 -23.714 -3.438 -0.076 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 12.026 12.762 -0.367 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 11.226 12.452 0.063 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 12.016 12.362 -1.227 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 -17.493 -21.165 21.109 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 -17.103 -20.495 20.549 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 -17.893 -20.675 21.829 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -3.013 5.519 19.363 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -3.503 4.839 18.893 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -3.663 6.179 19.573 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 15.471 -18.238 20.956 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 16.411 -18.408 21.026 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 15.050 -19.058 21.196 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 8.461 10.311 -16.554 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 8.761 9.421 -16.364 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 8.581 10.401 -17.494 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 2.066 2.231 -11.086 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 2.286 1.511 -11.676 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 2.916 2.601 -10.846 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 22.221 13.651 -6.047 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 21.591 12.951 -6.227 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 22.301 13.651 -5.097 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -16.037 -2.503 8.444 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -15.937 -1.913 9.194 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -15.187 -2.943 8.374 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -21.112 -20.049 10.581 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -21.062 -20.929 10.221 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -20.582 -19.509 9.991 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 9.283 23.082 20.136 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 8.543 23.642 19.896 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 8.893 22.212 20.266 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 -3.681 -4.591 15.207 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 -3.791 -4.541 16.147 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 -2.751 -4.791 15.077 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 14.586 -9.988 -8.557 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 13.936 -9.878 -9.247 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 15.386 -9.598 -8.907 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 -1.437 9.542 -21.336 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 -0.707 9.892 -20.826 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 -1.057 9.282 -22.166 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 21.323 19.947 18.486 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 21.283 18.987 18.476 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 21.263 20.177 19.416 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 -11.231 -6.510 -20.776 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 -11.241 -6.260 -21.706 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 -11.411 -7.450 -20.786 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -19.934 11.100 -3.536 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -19.354 11.430 -4.216 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -19.364 10.620 -2.946 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 -24.304 16.664 16.473 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 -23.874 17.484 16.213 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 -24.374 16.164 15.653 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 -0.573 18.982 17.413 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 0.357 18.762 17.343 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 -0.743 19.042 18.353 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 -12.981 -14.897 -14.337 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 -13.251 -14.047 -14.687 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 -13.621 -15.517 -14.687 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 16.497 0.099 16.946 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 15.997 -0.661 16.656 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 17.037 0.349 16.196 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 7.312 21.410 -18.517 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 6.722 21.900 -19.097 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 6.772 21.170 -17.767 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 -0.696 1.279 -10.818 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 -0.036 1.449 -11.498 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 -1.166 2.109 -10.738 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 -4.478 3.815 2.818 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 -3.998 2.995 2.918 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 -5.348 3.555 2.508 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 21.228 23.949 24.552 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 20.888 24.069 23.662 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 20.508 23.539 25.032 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 14.717 22.631 -10.111 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 13.907 22.881 -10.541 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 14.967 21.801 -10.521 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 15.392 -1.293 -12.487 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 15.742 -0.443 -12.207 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 15.412 -1.253 -13.447 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 3.078 -23.008 25.238 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 3.138 -22.238 25.808 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 2.728 -22.668 24.418 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 21.722 -25.132 -12.047 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 20.992 -25.092 -11.427 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 21.962 -24.212 -12.197 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 6.537 -5.934 -20.564 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 7.337 -5.974 -20.034 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 5.837 -6.174 -19.954 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 -8.076 -3.038 -25.349 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 -8.676 -3.018 -24.599 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 -7.626 -3.878 -25.259 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 8.864 3.422 -5.480 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 9.484 2.932 -6.030 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 8.734 2.872 -4.710 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 -15.074 -1.733 3.676 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 -15.694 -1.693 4.406 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 -14.274 -1.333 4.006 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 18.876 14.304 -16.396 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 18.506 13.434 -16.256 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 19.586 14.364 -15.746 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 -16.199 9.467 11.289 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 -16.369 10.077 12.009 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 -17.009 9.477 10.779 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -2.823 -10.662 11.973 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -2.893 -11.472 12.483 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -2.853 -9.962 12.623 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 19.306 22.814 13.833 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 19.376 21.864 13.803 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 20.006 23.134 13.253 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 1.108 -7.633 15.959 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 1.688 -7.903 15.239 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 1.598 -7.843 16.749 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 0.872 11.795 -21.163 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 1.572 11.415 -21.693 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 1.272 12.585 -20.783 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 8.437 9.083 0.831 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 7.997 9.083 1.681 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 9.277 8.643 0.991 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 -24.151 -2.976 -16.477 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 -23.491 -3.066 -17.167 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 -24.141 -3.826 -16.027 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 -0.436 12.501 3.465 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 -1.366 12.371 3.265 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 -0.036 11.651 3.285 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 14.857 -19.316 -18.680 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 13.917 -19.506 -18.700 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 15.147 -19.676 -17.840 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 -4.804 -10.605 -7.029 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 -4.394 -10.705 -7.889 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 -4.584 -11.415 -6.559 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 -21.695 15.877 -5.041 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 -21.505 16.717 -4.631 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 -20.835 15.517 -5.271 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 1.561 0.005 -7.097 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 0.861 0.065 -6.447 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 1.361 -0.785 -7.597 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 -8.237 21.884 -1.836 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 -8.257 22.654 -1.256 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 -8.127 21.144 -1.236 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 -22.124 -17.037 24.832 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 -21.474 -17.617 24.432 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 -22.844 -17.617 25.092 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -21.222 23.909 -6.941 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -21.792 23.229 -7.291 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -21.182 23.739 -6.001 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 6.441 4.802 -15.234 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 6.460 5.402 -15.984 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 5.891 4.072 -15.524 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 -9.142 -16.426 15.401 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 -9.632 -15.656 15.101 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 -8.252 -16.286 15.061 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 19.209 9.797 -6.975 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 18.279 9.577 -7.025 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 19.339 10.087 -6.075 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 -5.875 11.525 -4.406 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 -5.905 10.585 -4.236 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 -6.115 11.925 -3.576 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 12.871 0.016 11.229 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 12.301 0.556 10.689 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 12.291 -0.404 11.859 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 5.048 20.544 -16.644 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 4.258 21.044 -16.844 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 4.878 20.144 -15.794 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 23.432 3.158 2.542 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 24.182 3.708 2.302 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 22.792 3.298 1.842 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -1.148 -22.647 -11.260 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -1.368 -23.537 -11.510 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -1.718 -22.097 -11.790 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -20.315 20.665 14.744 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -19.525 20.455 14.254 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -20.025 20.765 15.644 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 -2.552 -8.303 -25.040 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 -2.792 -7.423 -24.760 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 -2.872 -8.873 -24.350 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 22.998 -17.479 -17.120 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 23.458 -17.999 -16.470 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 23.178 -16.569 -16.860 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 10.197 -10.725 24.780 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 9.657 -11.415 24.400 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 10.957 -11.185 25.140 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 17.238 -1.992 -18.627 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 17.138 -1.212 -18.077 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 16.708 -1.802 -19.407 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 -23.498 -16.428 3.215 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 -24.338 -16.018 3.445 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 -22.958 -16.308 4.005 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -12.124 -21.054 -6.313 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -12.244 -20.364 -5.663 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -12.974 -21.494 -6.363 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 -2.031 -24.981 16.030 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 -1.261 -24.511 16.350 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 -2.661 -24.911 16.750 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 -0.679 0.490 10.903 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 -0.149 1.110 11.393 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 -0.309 -0.370 11.113 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 -21.315 -2.362 -0.994 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 -20.365 -2.502 -0.944 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 -21.455 -1.502 -0.594 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -16.759 16.830 -5.105 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -15.849 16.550 -5.185 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -16.739 17.770 -5.305 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 -13.621 18.327 10.894 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 -13.941 17.777 10.184 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 -13.831 17.837 11.694 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 -22.276 9.946 24.049 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 -22.966 10.596 24.139 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 -22.036 9.966 23.119 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 -21.623 15.212 12.482 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 -21.413 14.302 12.692 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 -21.243 15.362 11.622 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 9.155 15.619 -19.509 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 9.915 15.049 -19.589 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 8.545 15.299 -20.179 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 14.531 25.433 12.443 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 14.881 24.543 12.353 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 14.391 25.723 11.543 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 5.276 -11.996 -19.254 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 4.976 -12.776 -19.724 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 5.366 -11.336 -19.934 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 9.899 23.949 9.063 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 10.169 24.759 9.483 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 9.509 24.229 8.233 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 -25.223 10.101 -10.897 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 -24.343 9.861 -10.627 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 -25.793 9.491 -10.437 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 -18.752 -2.886 18.928 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 -17.892 -2.756 19.318 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 -18.902 -2.086 18.428 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 1.478 14.983 -20.444 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 1.248 15.003 -21.374 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 0.638 14.973 -19.984 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -3.017 14.143 13.712 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -3.677 14.523 13.122 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -2.237 14.683 13.562 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 16.537 0.346 13.960 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 17.307 -0.144 14.260 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 15.797 -0.224 14.160 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -23.021 -11.940 -15.783 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -22.111 -12.010 -16.083 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -23.541 -11.930 -16.583 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 8.501 9.500 -19.924 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 8.671 10.440 -20.004 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 9.341 9.130 -19.634 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 -23.497 9.290 -23.678 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 -23.367 10.190 -23.998 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 -22.627 8.890 -23.748 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -20.178 19.386 -0.199 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -20.008 19.346 0.741 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -20.028 18.486 -0.499 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 -23.267 11.365 -18.460 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 -23.167 12.305 -18.380 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 -22.397 11.015 -18.260 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 0.745 -21.948 11.508 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 1.125 -21.168 11.928 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 1.405 -22.628 11.638 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 8.382 14.012 6.946 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 8.692 13.152 7.226 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 7.502 13.852 6.606 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 10.197 -4.811 -23.353 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 9.317 -5.181 -23.293 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 10.537 -5.151 -24.183 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 -19.095 7.113 22.186 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 -19.175 7.893 22.716 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 -19.525 6.423 22.696 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 4.022 -20.593 22.039 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 4.672 -21.133 21.579 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 4.302 -19.693 21.879 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 7.965 -6.899 -0.888 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 7.415 -7.089 -1.658 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 8.825 -6.669 -1.258 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 6.901 20.111 24.649 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 7.071 19.561 23.879 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 7.631 20.721 24.679 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 21.322 4.585 -5.844 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 22.222 4.895 -5.854 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 21.192 4.235 -4.964 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 -2.301 6.867 17.094 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 -3.061 7.267 17.504 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 -1.841 6.427 17.814 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 -25.126 19.945 -22.434 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 -24.756 20.765 -22.754 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 -24.416 19.535 -21.934 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 -5.254 18.158 -10.460 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 -4.324 18.238 -10.260 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 -5.644 17.818 -9.650 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 20.174 -16.564 -22.972 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 21.054 -16.764 -22.662 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 19.884 -17.354 -23.422 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 23.657 1.766 -11.931 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 24.597 1.846 -11.761 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 23.417 0.926 -11.531 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 -2.324 17.226 1.568 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 -2.954 16.846 2.188 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 -1.964 17.986 2.018 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 20.717 -15.309 -16.841 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 20.387 -14.519 -17.271 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 21.657 -15.169 -16.761 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 -21.455 -9.333 18.679 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 -20.885 -9.863 18.129 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 -20.865 -8.773 19.179 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 6.959 -3.755 22.736 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 7.399 -3.225 23.406 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 6.129 -4.015 23.126 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 10.465 -16.654 -23.181 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 10.605 -17.414 -23.741 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 9.705 -16.204 -23.561 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 19.633 15.502 3.855 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 19.273 16.052 3.165 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 18.953 14.842 4.015 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 -15.514 -5.628 -25.093 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 -16.184 -6.268 -24.883 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 -14.694 -6.048 -24.853 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 6.829 -17.175 -16.988 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 6.359 -17.165 -16.158 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 7.469 -16.465 -16.898 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 6.445 11.440 -25.015 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 7.095 11.090 -24.415 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 6.215 10.700 -25.585 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 -22.483 12.692 -4.945 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 -22.443 13.402 -5.585 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 -23.333 12.272 -5.115 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 21.289 -1.189 -24.045 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 21.169 -2.089 -23.765 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 22.119 -0.919 -23.655 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -5.133 18.475 -0.141 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -4.773 18.115 0.669 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -5.423 17.705 -0.631 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 -20.401 -1.287 2.285 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 -21.191 -1.827 2.365 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 -19.791 -1.677 2.905 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 -5.558 -2.660 0.745 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 -5.428 -3.050 1.615 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 -6.488 -2.440 0.735 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 8.378 24.638 -9.386 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 8.808 23.878 -8.996 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 7.868 25.018 -8.666 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 23.217 22.608 -15.488 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 22.307 22.858 -15.668 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 23.527 22.208 -16.298 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 18.174 24.693 -20.259 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 18.924 25.073 -19.809 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 17.804 25.423 -20.749 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 16.496 -14.116 18.479 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 16.886 -14.916 18.839 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 17.236 -13.616 18.159 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 3.936 -21.916 5.859 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 4.106 -22.836 6.049 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 4.466 -21.436 6.499 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 6.627 -9.926 9.658 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 6.757 -9.046 9.998 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 6.167 -10.396 10.348 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 24.131 -4.105 -21.592 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 23.511 -4.815 -21.372 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 24.381 -3.735 -20.752 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 -24.321 11.422 21.509 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 -25.091 11.033 21.919 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 -24.321 12.333 21.819 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 -6.587 -15.020 -22.177 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 -6.567 -14.140 -21.807 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 -7.007 -15.560 -21.507 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 -23.943 -5.605 -15.821 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 -24.613 -5.325 -15.191 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 -23.553 -6.385 -15.421 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 12.415 -20.260 -6.140 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 12.095 -19.360 -6.120 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 12.155 -20.590 -6.990 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 -23.057 -24.385 -4.427 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 -22.567 -24.025 -5.167 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 -23.247 -23.625 -3.877 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 -13.898 18.649 -12.608 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 -14.048 17.879 -12.068 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 -13.358 19.229 -12.068 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 -6.442 21.664 18.441 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 -7.052 21.744 17.711 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 -5.692 21.184 18.091 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 -18.759 2.700 -19.559 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 -18.969 1.990 -20.169 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 -18.879 3.500 -20.069 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 -6.601 -19.074 20.467 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 -7.211 -19.454 19.837 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 -6.731 -19.584 21.267 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 11.146 6.820 13.465 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 10.606 7.430 12.955 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 10.936 5.960 13.105 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -19.808 8.860 -12.401 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -19.188 8.680 -13.101 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -19.878 8.030 -11.921 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 -24.434 8.691 8.061 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 -25.164 8.861 7.471 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 -24.834 8.241 8.811 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 -20.333 -24.925 7.027 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 -19.503 -24.905 7.497 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 -20.643 -24.015 7.047 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 7.170 25.377 24.349 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 7.881 25.577 24.959 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 6.541 24.887 24.869 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 -1.367 19.277 7.949 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 -1.347 19.907 8.659 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 -1.047 19.747 7.189 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 17.326 -19.797 -9.228 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 17.386 -18.857 -9.398 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 17.226 -19.867 -8.278 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 15.933 13.455 12.274 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 15.073 13.485 12.684 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 16.173 14.375 12.134 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 -8.186 11.153 9.882 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 -7.406 10.623 9.732 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 -8.906 10.623 9.572 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 12.408 1.900 4.896 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 13.338 2.150 4.866 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 11.978 2.550 4.346 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 11.313 19.753 -16.503 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 10.513 20.243 -16.303 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 11.383 19.113 -15.803 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 3.579 -12.160 14.138 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 3.789 -11.380 14.648 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 4.239 -12.800 14.388 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 -13.498 25.258 22.613 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 -13.768 26.138 22.873 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 -13.958 24.688 23.233 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 -24.356 4.540 -13.840 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 -24.646 3.630 -13.940 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 -23.676 4.650 -14.500 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -12.263 -21.444 -24.597 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -11.683 -21.344 -25.367 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -12.473 -22.374 -24.577 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -24.722 -21.646 14.609 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -25.332 -22.296 14.939 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -24.432 -21.986 13.769 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 24.745 21.787 1.777 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 25.675 21.687 1.987 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 24.375 20.917 1.907 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 -15.003 23.809 -11.951 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 -15.353 22.929 -11.801 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 -14.513 23.739 -12.771 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 8.344 19.495 15.453 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 8.864 20.195 15.853 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 7.564 19.925 15.113 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 18.773 -22.855 23.331 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 17.903 -22.655 22.991 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 18.933 -22.175 23.991 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 -5.752 -3.382 4.086 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 -5.742 -3.862 4.916 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 -5.332 -2.552 4.276 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 25.335 -10.196 -22.521 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 24.555 -9.666 -22.641 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 25.015 -11.026 -22.161 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 -7.415 -5.925 -16.214 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 -7.665 -5.965 -17.134 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 -6.475 -6.125 -16.204 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 -0.012 13.115 15.467 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 -0.522 12.345 15.727 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 0.638 12.785 14.857 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 18.745 4.739 8.643 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 18.305 4.539 9.463 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 18.085 4.549 7.963 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -3.889 -24.838 -9.340 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -3.329 -24.188 -8.930 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -3.790 -25.618 -8.790 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 -7.886 23.612 22.680 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 -8.136 22.872 23.240 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 -7.396 23.212 21.960 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 19.912 -23.207 20.746 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 20.272 -22.327 20.596 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 19.512 -23.147 21.616 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 -10.034 7.540 -20.289 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 -10.504 6.730 -20.479 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 -10.074 8.030 -21.109 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 16.516 6.535 16.204 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 16.646 7.305 15.654 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 15.706 6.135 15.874 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 21.081 3.975 -24.706 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 21.971 4.115 -24.376 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 21.071 3.055 -24.986 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 -23.131 14.360 20.743 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 -23.911 14.660 20.273 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 -23.261 14.640 21.643 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 11.766 3.010 -0.653 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 11.246 2.250 -0.383 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 12.656 2.800 -0.373 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 -20.496 2.387 6.989 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 -20.196 2.787 6.169 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 -20.486 3.097 7.629 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 -16.482 -13.741 5.176 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 -16.902 -13.321 5.936 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 -16.842 -13.281 4.416 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 -22.941 -12.128 24.700 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 -22.221 -12.668 25.020 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 -23.671 -12.328 25.280 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 24.147 -13.733 9.796 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 23.597 -13.803 10.576 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 23.677 -13.123 9.226 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 -18.801 -1.513 9.587 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 -18.251 -2.163 9.167 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 -18.361 -0.683 9.437 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 -23.438 4.016 14.323 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 -23.548 3.956 13.383 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 -22.858 4.776 14.453 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 -1.943 -6.568 -18.279 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 -1.763 -5.647 -18.439 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 -2.733 -6.568 -17.729 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 19.534 6.452 -5.759 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 20.174 7.102 -5.469 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 20.034 5.642 -5.859 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 -7.983 16.128 -24.307 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 -8.103 15.198 -24.457 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 -8.853 16.508 -24.377 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -4.071 16.726 -13.842 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -3.881 15.946 -14.372 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -3.531 16.616 -13.052 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 18.587 15.022 11.081 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 18.287 14.202 11.481 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 17.847 15.622 11.181 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 24.738 10.019 13.482 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 23.888 10.049 13.922 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 24.818 9.109 13.172 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 23.201 -16.498 8.581 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 23.991 -16.168 9.011 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 23.370 -16.368 7.651 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 -17.175 5.888 4.747 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 -17.895 6.438 5.057 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 -17.605 5.078 4.467 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 -8.912 -7.173 4.311 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 -8.092 -7.083 4.801 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 -9.002 -8.113 4.171 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 -8.774 -14.571 -25.224 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 -9.224 -13.821 -24.834 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 -9.244 -15.331 -24.864 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 17.188 -24.285 -14.478 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 16.978 -23.695 -15.198 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 18.088 -24.065 -14.228 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 -25.024 -12.924 -13.879 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 -24.104 -13.054 -14.129 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 -25.274 -12.114 -14.319 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 9.467 16.306 24.931 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 9.147 16.856 24.221 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 8.777 15.666 25.081 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 23.914 19.792 -4.091 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 24.404 20.612 -4.101 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 23.434 19.812 -3.271 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 24.355 -18.928 -14.817 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 25.215 -18.508 -14.727 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 23.855 -18.608 -14.067 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 -2.355 -7.715 -6.191 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 -1.565 -7.915 -6.691 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 -3.045 -8.245 -6.601 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 0.793 2.843 -23.116 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 1.503 2.693 -23.736 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 0.513 3.743 -23.286 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 7.577 24.149 6.905 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 6.887 24.159 7.565 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 7.117 24.289 6.075 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 -3.955 -9.856 -11.109 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 -3.625 -9.056 -10.709 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 -4.625 -9.556 -11.719 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 21.002 -19.537 -8.377 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 21.702 -19.347 -7.757 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 20.192 -19.407 -7.877 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 -2.019 0.462 -18.957 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 -1.789 1.192 -19.537 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 -1.789 0.772 -18.087 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 -12.397 -2.997 -13.639 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 -11.847 -3.167 -14.399 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 -13.297 -3.117 -13.959 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 -8.345 14.832 -9.604 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 -8.335 15.712 -9.214 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 -9.245 14.532 -9.484 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 -9.289 23.956 -22.727 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 -9.649 24.096 -21.857 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 -8.499 23.436 -22.577 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 12.005 16.470 -9.725 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 12.885 16.820 -9.595 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 11.505 16.780 -8.975 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 20.479 -3.557 12.468 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 21.429 -3.557 12.368 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 20.159 -3.227 11.628 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 20.786 -4.539 0.055 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 21.466 -5.039 0.515 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 19.976 -5.009 0.245 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 10.684 -4.737 16.068 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 11.154 -4.857 15.248 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 10.424 -3.817 16.068 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 9.908 -5.793 13.103 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 10.728 -5.313 12.953 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 10.198 -6.653 13.403 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 5.822 0.553 -21.068 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 6.532 0.993 -20.598 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 5.212 1.253 -21.298 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -4.613 3.723 7.142 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -4.453 3.903 8.072 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -3.983 3.033 6.922 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 21.653 -11.187 -6.945 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 20.733 -11.417 -7.065 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 21.663 -10.657 -6.145 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 23.938 4.046 -7.007 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 24.328 3.186 -7.147 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 24.368 4.616 -7.637 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 -14.666 12.373 -24.201 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 -14.436 13.283 -23.981 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 -14.426 11.873 -23.421 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 19.015 -12.547 17.398 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 19.235 -11.647 17.638 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 18.785 -12.497 16.468 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 7.542 -16.999 -11.393 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 7.962 -17.649 -11.963 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 6.932 -17.509 -10.863 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 8.994 -12.139 15.648 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 9.924 -12.369 15.588 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 8.534 -12.919 15.328 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 -18.491 20.439 -7.500 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 -17.771 20.379 -6.880 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 -19.271 20.269 -6.970 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 14.982 -16.727 14.051 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 14.452 -16.708 14.841 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 14.732 -15.938 13.571 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -1.286 16.826 13.242 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -1.626 17.116 14.092 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -0.336 16.896 13.342 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 10.352 11.552 2.216 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 9.482 11.652 2.606 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 10.892 12.192 2.676 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 2.155 -13.178 -5.623 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 1.845 -12.438 -6.143 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 2.765 -13.648 -6.193 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 -2.642 9.790 17.773 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 -2.392 10.090 16.893 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 -2.582 10.570 18.323 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 20.695 -14.393 -8.844 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 21.035 -13.743 -9.454 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 20.595 -15.183 -9.374 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 -0.856 15.888 18.407 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 -0.976 16.758 18.777 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 -1.446 15.328 18.907 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 1.556 -16.897 1.579 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 2.426 -17.037 1.949 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 1.166 -17.777 1.519 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 -5.536 -23.619 5.309 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 -4.666 -23.259 5.199 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 -5.396 -24.529 5.579 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -5.647 13.255 -22.260 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -5.047 13.515 -21.560 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -6.467 13.065 -21.810 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 7.292 6.682 -6.458 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 7.322 5.992 -7.128 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 6.502 6.492 -5.968 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 -15.032 -20.249 19.933 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 -14.312 -20.099 20.543 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 -15.382 -19.379 19.763 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 -11.094 8.411 -14.545 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 -10.804 8.831 -15.355 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 -10.654 7.561 -14.545 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 -5.484 5.758 -18.751 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 -5.634 6.288 -19.541 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 -6.214 5.988 -18.171 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 -25.338 14.883 -4.330 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 -25.018 14.603 -5.190 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 -24.538 15.013 -3.810 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 -24.785 -2.442 18.009 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 -25.095 -1.862 18.709 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 -25.065 -3.322 18.279 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 -5.577 -20.818 25.487 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 -5.407 -21.558 24.897 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 -6.237 -20.288 25.027 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 -5.758 17.872 22.849 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 -4.858 17.662 22.579 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 -6.208 17.032 22.869 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 0.377 9.632 -13.401 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 1.127 9.392 -13.961 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 0.377 8.962 -12.721 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -19.023 22.632 5.857 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -18.163 23.023 5.687 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -19.653 23.322 5.647 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 -23.736 -10.781 -12.153 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 -23.936 -10.491 -11.263 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 -23.716 -9.971 -12.663 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 11.364 16.479 -18.246 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 11.644 16.749 -19.116 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 10.414 16.509 -18.276 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 21.446 -14.715 11.652 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 22.006 -15.495 11.682 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 20.566 -15.055 11.812 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 7.588 0.802 25.173 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 7.808 1.282 24.373 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 6.688 0.522 25.043 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 20.185 22.332 1.493 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 20.855 21.702 1.753 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 19.455 22.162 2.093 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 -1.023 -14.210 14.046 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 -0.293 -14.650 13.616 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 -1.173 -14.720 14.846 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -2.174 15.186 20.876 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -1.844 16.076 20.996 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -1.974 14.736 21.696 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -2.329 -2.755 8.641 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -2.700 -2.225 9.351 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -1.429 -2.445 8.551 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 -2.231 -13.848 -12.380 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 -2.661 -14.678 -12.580 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 -1.361 -13.928 -12.760 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -13.178 21.522 7.485 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -12.738 22.372 7.515 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -12.648 20.962 8.055 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -9.801 -24.088 -23.592 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -9.511 -24.988 -23.462 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -10.751 -24.128 -23.582 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -23.943 0.446 -0.711 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -24.183 -0.274 -0.131 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -23.313 0.956 -0.201 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 -3.785 -16.583 -14.244 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 -3.245 -16.493 -15.034 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 -3.545 -17.433 -13.874 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 -6.629 -6.690 -4.651 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 -6.469 -7.140 -5.481 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 -5.889 -6.090 -4.561 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 15.007 -18.332 6.106 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 14.667 -17.532 5.696 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 14.857 -18.202 7.036 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 -6.638 -7.378 5.907 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 -6.868 -8.278 5.697 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 -5.848 -7.208 5.387 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 22.486 11.612 -11.901 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 22.556 11.002 -11.171 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 21.546 11.692 -12.051 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 20.754 17.025 13.008 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 21.194 16.455 12.368 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 20.574 16.445 13.748 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 9.164 15.960 8.669 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 9.344 15.270 8.039 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 8.224 15.880 8.849 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 22.118 6.048 -18.925 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 22.398 6.758 -18.345 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 21.798 5.368 -18.325 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 -12.321 10.283 5.489 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 -13.131 10.213 5.999 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 -12.211 11.223 5.349 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 23.575 -25.273 -23.071 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 23.205 -24.723 -22.381 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 23.635 -24.703 -23.831 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 21.318 11.211 0.706 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 21.458 10.261 0.666 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 21.948 11.571 0.076 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 -19.322 -19.379 7.856 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 -19.602 -20.279 7.706 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 -18.632 -19.229 7.206 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 12.417 21.091 20.176 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 12.077 20.231 20.416 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 13.197 20.901 19.656 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 7.812 15.973 19.697 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 8.042 15.213 20.227 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 6.882 15.873 19.507 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 23.036 5.197 11.518 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 23.016 4.927 12.428 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 22.656 4.457 11.038 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 17.862 -11.943 12.129 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 17.002 -11.893 11.709 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 18.492 -11.783 11.419 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -23.786 23.487 -0.097 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -24.086 24.047 -0.817 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -24.526 22.907 0.073 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 -7.244 14.478 -16.595 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 -6.324 14.728 -16.645 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 -7.384 13.958 -17.385 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 21.911 -7.163 9.740 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 21.141 -6.753 10.140 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 22.061 -7.953 10.260 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 25.371 21.808 8.403 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 24.531 21.418 8.613 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 25.471 22.528 9.023 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 16.227 -8.106 24.356 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 15.687 -8.306 23.586 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 15.737 -7.436 24.826 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 -2.484 -25.057 20.216 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 -1.804 -24.477 20.586 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 -3.104 -24.457 19.796 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 -18.729 2.290 10.516 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 -18.420 3.020 11.056 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 -19.240 1.740 11.126 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 -20.409 17.895 16.736 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 -20.219 17.635 15.836 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 -20.559 18.835 16.686 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -23.096 7.625 14.036 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 -23.846 7.545 13.456 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -23.466 7.835 14.886 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 -1.796 20.187 -4.951 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 -2.186 19.327 -4.761 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 -1.306 20.047 -5.761 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 6.849 -10.427 16.036 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 6.609 -10.317 16.956 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 7.639 -10.967 16.056 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 9.137 24.067 -15.812 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 8.417 24.087 -16.452 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 9.837 23.597 -16.252 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 -20.543 24.176 -15.427 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 -21.403 24.206 -15.017 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 -19.923 24.186 -14.697 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 15.896 -12.247 23.128 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 14.996 -12.027 22.848 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 16.276 -12.697 22.368 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 -2.027 -14.252 16.801 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 -2.257 -13.332 16.961 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 -2.207 -14.682 17.631 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 -3.859 -7.197 -22.423 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 -4.399 -7.727 -23.013 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 -3.999 -6.297 -22.713 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 -12.331 -12.019 -22.241 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 -11.951 -11.139 -22.161 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 -13.221 -11.919 -21.921 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 6.074 23.574 8.963 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 6.304 22.694 9.253 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 6.374 24.144 9.673 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 16.895 -13.871 5.233 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 16.125 -14.361 4.943 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 16.545 -13.001 5.433 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 4.929 -20.151 -2.466 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 5.529 -20.791 -2.086 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 5.499 -19.521 -2.916 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 -1.571 9.416 -6.430 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 -0.631 9.236 -6.530 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 -1.911 8.646 -5.970 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 0.167 -12.461 -17.195 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 -0.613 -12.151 -16.735 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 0.127 -12.041 -18.055 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 4.369 4.057 -6.393 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 3.999 4.557 -7.123 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 4.509 4.707 -5.703 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 3.667 5.574 24.796 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 2.777 5.504 25.126 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 3.587 5.454 23.856 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 9.328 6.753 10.751 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 9.498 7.493 11.331 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 8.388 6.573 10.861 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -7.508 -0.641 10.748 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -6.558 -0.651 10.638 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -7.838 -0.171 9.988 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 17.529 8.573 -2.418 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 17.169 7.993 -1.738 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 17.579 9.433 -2.008 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 13.929 -12.735 -22.905 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 14.479 -13.385 -23.335 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 13.809 -12.045 -23.555 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 14.265 25.362 9.796 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 13.535 24.972 9.306 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 15.025 24.832 9.556 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 22.552 -16.781 -9.948 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 22.512 -17.191 -9.078 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 23.322 -16.211 -9.908 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 -12.123 -17.464 -14.354 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 -12.273 -17.584 -15.294 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 -12.073 -16.514 -14.244 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 2.337 -20.306 13.009 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 2.137 -19.396 12.799 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 3.227 -20.436 12.679 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 23.004 16.368 5.235 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 23.284 16.948 4.525 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 23.394 15.518 5.015 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 -20.193 -5.253 18.790 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 -19.783 -4.413 18.570 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 -19.633 -5.623 19.470 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 -21.841 17.877 11.452 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 -21.841 16.997 11.812 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 -20.911 18.127 11.422 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -1.189 -13.239 21.907 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -0.839 -13.139 22.787 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -2.140 -13.319 22.037 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 8.872 7.327 -14.461 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 9.152 7.407 -15.371 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 8.302 6.557 -14.451 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 -12.974 -12.085 7.828 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 -12.374 -11.385 8.108 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 -12.714 -12.845 8.348 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -5.004 19.529 17.676 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -4.864 18.579 17.706 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -4.544 19.819 16.886 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 -13.868 -0.047 -10.030 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 -13.288 -0.607 -10.550 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 -14.748 -0.307 -10.300 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 10.624 9.094 -8.483 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 10.214 8.374 -8.963 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 10.054 9.234 -7.723 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 19.692 2.271 -19.802 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 20.612 2.441 -19.982 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 19.322 3.131 -19.612 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -11.686 -16.427 7.019 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -12.626 -16.547 6.989 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -11.556 -15.687 7.629 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 1.412 4.020 20.362 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 2.032 3.930 21.092 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 0.812 4.710 20.652 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 -17.311 -1.605 21.279 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 -17.731 -2.465 21.319 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 -17.681 -1.115 22.009 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 0.198 -9.361 -15.404 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 0.118 -9.321 -16.354 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 1.078 -9.681 -15.244 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 -13.106 -22.993 9.416 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 -13.446 -22.283 9.966 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 -12.606 -23.543 10.016 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -15.332 21.730 9.363 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -14.432 21.630 9.073 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -15.682 22.440 8.823 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 1.252 -10.436 0.762 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 1.622 -10.926 1.502 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 1.682 -9.586 0.812 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 -19.825 20.872 9.092 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 -20.425 21.532 8.742 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 -20.365 20.342 9.672 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 -9.425 -17.040 -18.604 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 -10.345 -17.240 -18.414 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 -9.295 -16.160 -18.234 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 -5.074 11.001 -23.614 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 -5.154 11.911 -23.334 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 -4.134 10.881 -23.784 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -9.532 -10.216 1.388 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -10.052 -9.766 2.058 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -10.192 -10.566 0.778 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 0.995 22.212 17.826 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 1.515 21.792 17.136 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 0.145 21.782 17.776 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -17.192 11.897 15.596 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -17.522 11.297 14.926 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -17.942 12.447 15.816 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 11.312 2.262 -11.778 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 10.822 2.362 -12.588 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 10.982 2.952 -11.198 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 -18.923 15.263 -3.842 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 -18.903 14.403 -4.262 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 -18.223 15.753 -4.272 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 10.403 -16.882 -17.120 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 11.263 -16.802 -16.700 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 9.893 -17.412 -16.520 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 14.587 -2.597 6.982 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 14.987 -2.637 7.852 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 14.597 -1.667 6.762 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 11.026 -14.100 18.359 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 11.976 -14.180 18.399 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 10.846 -13.250 18.749 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 15.133 -7.930 3.873 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 15.483 -8.770 4.183 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 15.883 -7.520 3.433 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 24.374 19.340 6.338 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 24.544 18.500 6.748 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 24.114 19.120 5.438 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 11.455 22.923 -13.061 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 11.355 22.403 -12.261 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 12.035 23.643 -12.801 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -1.038 -7.031 11.049 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -0.828 -7.761 10.469 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -0.538 -6.291 10.709 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 -0.286 -19.239 24.388 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 -1.016 -19.539 23.848 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 0.294 -18.789 23.778 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 -25.248 -24.341 -13.234 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 -25.008 -25.231 -12.974 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 -25.048 -23.801 -12.464 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 13.756 10.235 -9.297 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 13.366 9.575 -9.867 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 13.926 9.765 -8.477 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -15.119 -4.856 -20.731 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -15.829 -5.406 -20.391 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -14.319 -5.226 -20.351 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -9.456 14.852 16.612 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -9.216 13.932 16.522 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -8.936 15.162 17.352 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 7.631 20.975 -22.625 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 7.211 21.795 -22.385 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 6.911 20.405 -22.885 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 -16.377 -12.993 -13.514 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 -16.097 -12.083 -13.514 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 -17.187 -13.003 -13.014 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 12.408 -3.518 -6.549 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 12.098 -4.198 -5.959 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 13.308 -3.338 -6.249 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 -24.695 -15.865 10.416 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 -25.295 -15.155 10.626 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 -24.095 -15.895 11.166 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 10.589 8.896 16.402 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 9.649 9.066 16.322 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 10.889 9.526 17.052 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 11.327 -7.048 -3.987 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 12.157 -6.588 -3.847 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 11.027 -7.268 -3.107 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 -1.766 22.816 24.828 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 -1.596 23.676 24.428 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 -1.656 22.196 24.118 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 13.281 14.302 -21.301 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 13.830 15.092 -21.311 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 13.900 13.582 -21.271 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 13.565 -18.197 -9.306 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 13.295 -17.647 -8.576 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 13.405 -19.087 -9.006 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 23.092 25.475 -15.778 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 22.422 25.085 -15.208 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 23.232 24.815 -16.458 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 4.812 -9.500 14.375 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 5.462 -10.050 14.825 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 4.762 -8.710 14.915 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 -12.293 -19.694 18.463 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 -12.473 -20.034 19.343 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 -13.033 -19.104 18.283 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 7.479 -6.970 15.132 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 7.749 -6.750 14.242 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 8.169 -6.620 15.682 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 6.932 9.569 -1.222 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 7.832 9.239 -1.172 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 6.692 9.729 -0.312 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 1.114 16.485 -11.968 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 0.754 15.645 -12.248 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 1.374 16.335 -11.058 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 3.062 -6.683 9.139 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 2.982 -7.543 9.549 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 3.992 -6.583 8.939 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 5.638 20.607 19.264 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 6.068 19.827 18.914 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 4.818 20.287 19.634 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 -0.328 -0.104 -14.553 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 -0.998 -0.444 -15.153 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 -0.428 -0.624 -13.763 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -14.502 -22.886 -2.404 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -14.232 -22.876 -1.484 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -13.852 -22.346 -2.844 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 -17.186 -9.563 8.515 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 -17.926 -9.573 7.905 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 -16.446 -9.843 7.985 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 3.704 -10.683 -14.728 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 4.354 -11.003 -14.098 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 4.104 -9.903 -15.108 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 -13.071 -14.944 -24.711 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 -13.411 -14.524 -23.921 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 -12.351 -14.374 -24.991 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 20.198 -1.527 -4.864 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 20.388 -2.397 -4.504 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 20.618 -0.927 -4.244 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 -22.045 -13.426 -5.951 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 -22.835 -13.876 -6.231 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 -22.105 -13.396 -5.001 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 10.808 -24.432 10.492 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 11.568 -24.862 10.882 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 10.538 -23.782 11.142 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -3.575 10.533 0.215 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -3.215 9.733 -0.175 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -3.185 10.553 1.095 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 19.235 -7.750 11.374 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 18.915 -6.920 11.024 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 18.935 -7.760 12.284 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 -15.125 -20.709 24.521 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 -15.385 -21.469 25.041 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 -14.305 -20.409 24.921 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 24.346 -9.647 1.280 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 23.976 -8.797 1.540 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 24.626 -10.047 2.110 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 7.548 9.626 16.426 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 6.868 8.966 16.596 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 7.188 10.436 16.786 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 -16.211 20.127 5.093 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 -16.241 20.577 5.933 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 -15.731 19.317 5.263 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -15.236 -13.088 9.050 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -14.496 -13.548 9.450 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -14.836 -12.388 8.530 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 22.191 20.452 0.918 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 22.701 19.862 1.488 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 21.831 19.872 0.248 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 -10.871 3.758 -6.832 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 -10.601 2.918 -7.202 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 -11.691 3.568 -6.372 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -2.644 21.722 17.931 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -3.034 22.602 17.901 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -3.034 21.312 18.701 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 -7.192 7.707 17.978 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 -7.952 8.167 18.338 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 -6.432 8.157 18.358 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -10.304 -11.556 -1.283 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -10.564 -12.076 -2.053 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -9.954 -12.206 -0.663 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 18.032 9.018 -18.682 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 18.512 8.338 -19.152 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 18.142 9.808 -19.212 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 14.486 13.829 0.430 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 15.356 13.449 0.530 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 13.966 13.149 0.000 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 6.887 16.694 -16.284 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 6.707 17.404 -15.664 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 7.287 17.124 -17.034 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 -15.926 17.191 -15.294 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 -16.046 16.701 -14.474 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 -14.976 17.221 -15.414 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 -15.000 3.290 14.353 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 -15.770 3.790 14.073 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 -15.049 3.290 15.313 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 -14.122 12.063 -6.147 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 -13.642 12.023 -5.317 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 -13.662 12.742 -6.647 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 23.974 -1.919 21.256 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 23.454 -1.809 22.046 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 24.764 -2.379 21.546 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -7.636 23.606 -9.592 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -6.836 23.416 -10.082 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -8.346 23.416 -10.212 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -3.319 -1.858 11.884 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -2.489 -2.058 12.314 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -3.989 -2.078 12.524 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 -5.331 17.894 -18.365 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 -6.021 18.334 -18.855 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 -4.661 18.564 -18.245 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 8.502 -3.114 -21.477 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 9.222 -3.464 -21.997 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 8.932 -2.554 -20.827 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 -15.809 23.390 -21.680 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 -15.169 23.710 -22.320 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 -15.979 24.150 -21.120 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 3.502 -24.055 0.981 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 2.772 -24.275 1.561 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 3.602 -23.105 1.061 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 11.813 9.202 -12.955 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 12.743 9.122 -13.185 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 11.633 10.142 -13.005 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 23.120 12.498 -8.584 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 22.340 12.538 -8.024 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 22.780 12.648 -9.464 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 0.949 5.027 -10.927 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 0.689 4.127 -11.107 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 1.769 4.957 -10.447 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 -8.286 10.719 14.615 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 -8.236 9.759 14.635 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 -9.106 10.929 15.075 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 -7.025 -12.601 -7.890 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 -7.035 -12.201 -7.020 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 -6.965 -11.861 -8.490 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 24.422 -13.811 -2.111 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 23.492 -13.851 -2.351 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 24.712 -12.951 -2.431 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 0.587 -5.148 23.423 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 0.727 -5.928 23.963 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 1.387 -5.078 22.893 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 -17.717 -13.061 -18.380 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 -17.057 -13.211 -19.050 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 -17.477 -13.641 -17.650 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -9.097 12.007 17.346 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -8.247 11.877 17.766 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -9.637 12.427 18.016 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 -2.938 19.286 -2.614 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 -2.548 18.776 -1.904 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 -2.958 20.186 -2.274 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 9.113 4.343 3.196 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 9.363 4.613 2.306 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 8.223 4.013 3.096 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 9.055 -16.968 7.540 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 9.875 -17.338 7.200 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 8.515 -16.828 6.760 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 -7.343 17.329 -21.201 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 -7.033 17.369 -22.101 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 -7.493 16.389 -21.051 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 6.888 -13.328 -17.179 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 6.648 -12.528 -17.639 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 6.368 -14.018 -17.619 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 21.668 -17.115 14.579 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 21.678 -16.315 15.099 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 22.548 -17.185 14.219 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 -16.847 12.234 12.002 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 -17.417 12.174 11.242 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 -16.147 12.824 11.732 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 -7.733 20.232 -4.530 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 -8.163 20.942 -4.050 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 -7.103 20.672 -5.110 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -12.736 3.243 -3.035 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -12.846 3.622 -3.915 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -13.426 3.642 -2.515 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 15.405 12.982 -10.513 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 15.835 12.682 -9.703 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 15.785 13.842 -10.683 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 1.233 22.564 -0.330 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 1.343 23.244 -1.000 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 2.113 22.224 -0.170 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -21.962 -14.575 -13.274 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 -21.892 -13.925 -13.974 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 -22.412 -14.115 -12.574 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 23.018 4.782 22.871 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 23.118 5.492 22.231 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 22.838 5.222 23.701 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -15.627 6.369 8.496 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -15.547 5.439 8.276 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -16.567 6.549 8.466 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 20.855 14.642 -22.947 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 20.635 14.192 -22.137 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 21.785 14.872 -22.857 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 -5.988 -14.702 17.097 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 -5.498 -14.812 17.907 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 -6.698 -14.092 17.317 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 -21.292 13.216 -23.461 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 -21.422 12.616 -22.721 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 -20.352 13.186 -23.631 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 22.148 -3.772 18.060 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 22.458 -4.172 18.870 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 22.258 -2.832 18.200 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -12.418 15.039 -21.121 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -13.138 15.469 -20.661 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -12.358 14.179 -20.711 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 8.999 -15.792 -20.312 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 9.399 -16.322 -21.002 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 9.669 -15.742 -19.632 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 14.913 -2.810 -6.144 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 15.273 -2.570 -6.994 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 15.103 -2.060 -5.574 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 24.936 -8.671 5.688 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 24.676 -9.231 6.418 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 25.396 -7.941 6.108 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 15.471 -9.558 11.584 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 14.741 -9.787 11.014 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 15.081 -9.068 12.304 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -15.644 9.570 -12.445 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -15.654 10.460 -12.105 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -14.734 9.420 -12.715 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 22.550 -15.809 -3.430 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 22.030 -15.059 -3.700 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 23.370 -15.729 -3.930 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 20.056 -2.155 2.098 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 20.826 -2.395 1.588 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 19.386 -2.775 1.838 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 -20.615 -20.885 4.919 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 -19.755 -21.275 4.749 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 -20.545 -19.985 4.599 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 8.268 4.684 20.999 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 9.008 5.294 20.889 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 8.028 4.434 20.109 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 -5.383 -22.130 -19.706 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 -6.193 -22.110 -20.226 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 -4.753 -21.630 -20.226 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 -8.480 -13.259 17.696 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 -8.920 -12.579 17.176 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 -8.529 -12.949 18.596 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 2.453 21.739 21.337 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 3.283 21.279 21.267 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 1.813 21.059 21.547 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 2.202 -4.848 -22.074 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 1.502 -4.888 -21.414 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 1.842 -4.298 -22.774 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 0.459 -11.836 20.186 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 0.089 -12.166 19.366 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 -0.121 -12.196 20.866 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 -7.892 -11.806 19.976 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 -7.092 -11.756 19.466 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 -7.612 -11.616 20.876 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 -24.108 -20.946 -12.657 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 -24.188 -21.856 -12.347 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 -23.308 -20.936 -13.177 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 -2.038 -0.256 21.647 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 -1.508 -0.986 21.977 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 -1.398 0.424 21.437 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 4.469 16.832 -20.444 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 4.049 16.932 -21.304 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 4.899 17.672 -20.284 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 25.504 -1.222 -6.027 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 24.924 -1.982 -6.037 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 24.964 -0.532 -5.627 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 -23.254 -0.848 -11.427 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 -22.644 -1.438 -10.987 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 -24.124 -1.188 -11.227 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 1.743 -15.869 -4.167 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 2.193 -15.179 -4.647 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 2.383 -16.179 -3.527 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 -20.734 -2.894 -10.904 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 -21.414 -2.724 -11.554 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 -20.554 -2.044 -10.514 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 -23.965 -20.833 -15.878 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 -23.505 -21.503 -15.378 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 -24.715 -20.603 -15.328 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 4.246 -10.522 -5.851 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 5.066 -10.282 -6.301 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 4.376 -10.222 -4.951 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 0.662 17.095 8.186 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 1.552 17.365 8.446 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 0.342 17.795 7.626 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 23.048 -24.901 -19.542 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 23.318 -23.991 -19.452 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 22.288 -24.981 -18.962 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 16.602 13.278 22.659 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 17.302 13.538 23.269 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 16.652 13.928 21.959 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 -1.984 22.737 8.689 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 -2.194 22.057 9.329 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 -1.134 22.477 8.339 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 16.899 18.070 6.049 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 17.369 18.890 5.919 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 17.549 17.460 6.389 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 5.709 7.133 15.669 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 4.889 6.703 15.409 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 6.249 6.423 16.019 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 -19.543 2.504 23.968 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 -19.363 3.444 24.008 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 -20.033 2.394 23.148 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 3.083 -3.690 -14.234 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 2.453 -3.670 -14.954 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 2.733 -3.060 -13.604 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 -10.869 -16.582 -24.221 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 -11.399 -16.262 -23.491 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 -10.380 -17.312 -23.861 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 -8.517 -22.720 -21.544 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 -8.907 -22.980 -22.384 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 -8.947 -21.900 -21.314 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 -5.088 -6.828 -10.754 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 -5.568 -6.748 -11.584 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 -4.198 -6.548 -10.964 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 -14.883 11.052 6.244 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 -14.903 11.982 6.424 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 -15.653 10.902 5.684 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 -2.647 1.726 -16.837 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 -2.987 2.186 -17.617 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 -2.127 2.386 -16.377 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 -15.575 3.182 -7.971 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 -16.215 3.882 -7.821 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 -16.005 2.392 -7.631 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 -24.891 -16.248 15.076 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 -24.321 -16.328 14.306 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 -25.131 -17.148 15.296 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 -20.163 -11.925 -14.487 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 -20.513 -11.605 -13.647 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 -19.243 -11.665 -14.477 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 14.071 10.333 20.341 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 14.991 10.103 20.471 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 13.971 11.183 20.771 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -24.027 19.022 -1.119 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -23.877 18.122 -1.399 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -23.157 19.342 -0.889 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -8.015 -5.537 -8.336 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -8.035 -5.737 -9.266 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -7.425 -4.777 -8.266 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 -12.384 7.898 20.474 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 -13.144 8.488 20.404 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 -12.644 7.118 19.994 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 -17.583 0.508 -18.050 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 -17.373 1.358 -17.680 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 -16.903 0.358 -18.720 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 -10.249 -22.900 20.502 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 -9.829 -23.750 20.622 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 -10.859 -22.830 21.232 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 -0.946 -8.443 1.627 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 -1.856 -8.223 1.447 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 -0.936 -9.393 1.707 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 -9.776 -10.443 -18.613 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 -9.996 -9.963 -19.403 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 -10.616 -10.603 -18.183 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 4.801 14.992 -15.663 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 5.401 15.662 -15.993 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 3.941 15.252 -15.993 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 20.024 -19.760 13.945 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 19.724 -19.660 13.045 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 20.194 -18.860 14.245 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -10.456 12.572 -22.891 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -11.286 12.482 -22.421 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -10.486 11.912 -23.581 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 23.844 5.343 -3.983 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 24.744 5.013 -4.083 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 23.824 6.143 -4.513 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 -22.476 1.972 -21.777 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 -21.586 1.663 -21.907 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 -22.396 2.903 -21.577 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 14.805 -14.090 25.051 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 15.545 -13.980 24.451 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 14.625 -15.030 25.041 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 12.915 -21.006 -20.384 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 12.755 -20.086 -20.174 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 12.035 -21.366 -20.524 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 -0.049 15.249 -7.027 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 0.361 14.809 -6.277 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 -0.889 15.569 -6.697 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 21.816 3.641 -2.730 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 22.596 4.141 -2.990 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 22.156 2.761 -2.550 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 -18.695 -4.636 -10.226 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 -19.325 -3.936 -10.346 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 -19.215 -5.386 -9.936 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -9.473 24.512 -16.934 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -9.513 23.632 -17.314 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -8.663 24.892 -17.274 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 -16.635 -9.598 -19.024 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 -16.305 -9.208 -19.824 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 -16.715 -8.868 -18.404 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 -3.055 17.871 23.209 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 -2.135 17.741 23.449 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 -3.025 18.111 22.279 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 -21.631 -7.485 12.878 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 -22.461 -7.205 12.508 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 -21.051 -6.735 12.768 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 -10.345 -19.255 16.132 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 -10.925 -19.285 16.892 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 -9.915 -18.405 16.182 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 6.845 -2.821 -17.434 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 7.385 -2.251 -16.884 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 7.105 -2.601 -18.334 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 21.666 -24.066 18.776 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 20.816 -24.236 19.176 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 22.276 -24.036 19.516 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -19.529 -10.164 7.938 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -19.930 -9.644 8.628 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -20.249 -10.424 7.368 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 -25.414 -23.652 -25.262 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 -25.104 -23.722 -24.362 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 -24.614 -23.682 -25.792 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 16.386 7.531 11.256 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 17.316 7.761 11.376 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 16.356 6.581 11.366 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 12.517 -7.264 8.826 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 11.737 -6.934 8.386 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 13.167 -6.564 8.726 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 2.423 8.317 -7.050 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 2.653 9.217 -6.820 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 2.713 7.797 -6.300 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -13.224 -5.929 -16.071 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -12.404 -6.119 -16.531 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -13.544 -6.789 -15.801 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 13.548 -10.840 4.363 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 13.888 -10.620 3.493 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 12.978 -10.100 4.583 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 -14.437 14.279 17.718 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 -13.797 14.169 18.428 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 -15.227 14.579 18.148 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 9.894 22.545 -8.347 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 10.464 22.835 -7.637 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 9.274 21.945 -7.927 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 -2.782 15.077 -6.552 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 -2.442 14.187 -6.502 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 -2.762 15.397 -5.652 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 5.167 -17.225 -6.588 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 4.837 -18.115 -6.738 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 4.597 -16.665 -7.118 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 13.486 -12.077 -4.706 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 12.626 -12.477 -4.826 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 14.016 -12.407 -5.436 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 10.657 -14.656 -8.051 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 11.287 -15.016 -7.411 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 10.997 -14.936 -8.901 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -6.659 -7.375 21.581 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -7.169 -6.705 21.121 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -6.589 -7.045 22.471 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -9.947 17.805 -19.648 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -9.647 17.185 -18.988 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -9.177 17.955 -20.208 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 -4.921 15.417 20.339 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 -4.101 15.547 20.819 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 -5.581 15.337 21.019 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 19.402 -3.395 18.666 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 19.772 -2.595 19.036 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 20.142 -3.835 18.246 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 -0.474 8.919 -3.456 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 -1.344 8.569 -3.246 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 -0.344 8.709 -4.376 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 18.642 10.951 1.889 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 19.132 11.601 1.389 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 19.202 10.181 1.889 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -18.246 -6.586 -16.798 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -18.476 -6.856 -17.688 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -19.086 -6.426 -16.358 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 21.659 9.482 -20.828 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 21.509 9.042 -19.998 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 20.959 9.152 -21.398 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -24.233 6.852 -11.144 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -24.643 7.052 -11.984 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -23.443 6.362 -11.364 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 -15.581 -17.634 -3.058 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 -16.511 -17.634 -3.298 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 -15.551 -17.134 -2.238 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -1.612 -21.677 15.406 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -1.082 -22.407 15.086 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -2.512 -21.937 15.216 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 -7.897 -20.719 -17.666 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 -8.747 -20.629 -18.076 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 -7.437 -19.909 -17.876 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 18.737 -4.119 6.502 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 18.627 -3.279 6.052 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 17.897 -4.569 6.372 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 -16.637 10.801 -0.661 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 -16.507 11.751 -0.701 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 -16.947 10.641 0.229 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -1.628 6.592 -5.876 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -0.808 6.102 -5.976 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -2.308 5.992 -6.166 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -4.739 16.982 25.233 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -5.669 17.123 25.403 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -4.429 17.822 24.883 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 12.491 1.757 24.589 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 12.131 0.937 24.249 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 11.971 2.447 24.159 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 12.793 -3.735 -12.537 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 12.023 -3.165 -12.517 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 13.463 -3.255 -12.067 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 11.491 -8.288 18.813 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 11.481 -7.958 19.703 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 10.581 -8.218 18.513 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 -18.779 11.312 8.169 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 -18.319 10.532 7.849 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 -18.189 12.042 7.969 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 10.677 -22.436 23.506 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 11.457 -22.846 23.136 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 9.957 -22.776 22.976 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 -2.303 -0.966 -16.328 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 -2.603 -0.166 -16.758 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 -3.063 -1.536 -16.308 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 16.621 17.862 -17.240 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 15.831 18.102 -17.720 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 16.771 16.942 -17.470 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 25.002 -5.079 -1.436 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 24.422 -5.519 -0.816 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 25.242 -4.259 -1.006 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 14.592 3.391 5.004 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 15.472 3.121 4.744 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 14.622 4.341 5.024 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 16.582 7.811 5.417 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 17.062 8.641 5.407 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 15.942 7.921 6.127 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 6.635 -21.370 3.916 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 6.575 -22.310 4.116 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 7.285 -21.040 4.536 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -0.303 18.268 -23.174 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 0.587 18.148 -22.854 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -0.423 19.208 -23.244 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 16.697 -18.219 23.913 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 16.877 -17.449 24.443 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 15.897 -17.999 23.443 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 0.512 12.352 -0.196 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 -0.008 12.752 0.494 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 1.072 13.062 -0.516 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 5.478 -4.777 9.955 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 5.958 -4.037 9.585 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 5.918 -4.967 10.785 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 16.841 -1.613 2.749 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 15.991 -2.023 2.559 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 17.391 -1.853 1.999 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 17.041 -24.617 4.931 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 17.851 -24.467 5.401 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 17.181 -25.437 4.461 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 -0.049 15.765 23.574 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 -0.229 16.655 23.884 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 0.901 15.685 23.594 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 -7.856 -18.738 -5.999 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 -8.256 -19.608 -6.069 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 -8.176 -18.398 -5.159 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 7.307 13.229 18.011 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 8.257 13.119 18.051 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 6.967 12.329 17.991 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 -10.464 -14.093 13.850 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 -11.034 -13.483 13.390 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 -9.584 -13.863 13.560 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 13.736 18.431 25.073 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 13.816 19.321 24.713 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 12.976 18.061 24.623 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 13.212 9.070 -21.327 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 12.732 9.200 -22.157 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 12.922 9.800 -20.777 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 -19.643 15.885 10.543 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 -18.913 16.305 10.083 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 -19.273 15.585 11.373 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 -16.324 -17.107 8.020 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 -16.604 -16.387 8.580 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 -17.134 -17.397 7.590 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 -7.223 22.465 -21.740 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 -7.193 22.055 -22.600 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 -6.913 21.785 -21.140 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 4.512 -20.215 -12.406 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 4.192 -20.855 -11.766 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 5.282 -19.815 -11.986 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 21.041 -6.683 -22.974 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 20.321 -6.893 -23.574 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 21.801 -7.133 -23.354 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 -22.719 -12.270 7.272 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 -23.529 -12.780 7.292 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 -22.109 -12.800 6.772 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 23.789 -18.816 -4.991 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 24.189 -18.056 -5.411 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 24.519 -19.266 -4.561 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -16.816 -18.567 -5.955 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -16.936 -17.907 -6.645 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -16.346 -18.097 -5.265 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 11.342 -8.161 13.714 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 12.292 -8.071 13.714 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 11.122 -8.341 14.634 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 22.752 5.998 0.026 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 22.712 6.868 0.426 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 22.052 6.008 -0.634 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 5.342 23.135 -19.863 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 5.102 23.995 -19.523 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 4.502 22.695 -20.013 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 -5.414 12.629 0.378 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 -5.674 12.819 1.278 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 -4.874 11.839 0.438 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 2.325 -19.968 -8.897 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 1.505 -20.468 -8.917 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 2.895 -20.428 -9.517 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -16.211 17.487 19.953 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -15.811 18.287 20.283 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -16.901 17.777 19.363 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 2.729 -7.761 -6.695 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 2.819 -8.341 -5.935 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 2.249 -7.001 -6.365 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -5.601 -3.646 -16.290 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -5.291 -4.146 -17.040 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -6.481 -3.986 -16.120 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 3.795 -2.350 -24.891 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 3.075 -1.880 -24.471 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 3.605 -3.270 -24.721 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 7.442 -11.625 -3.465 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 7.652 -12.515 -3.745 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 7.002 -11.735 -2.615 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 -23.700 -18.848 21.636 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 -23.890 -18.818 22.566 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 -24.279 -18.188 21.246 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 9.878 12.496 17.569 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 9.558 12.116 16.749 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 10.448 13.206 17.299 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 17.836 11.524 -17.231 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 17.766 10.594 -17.431 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 18.226 11.914 -18.011 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 -9.152 -13.569 0.277 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 -8.532 -14.299 0.237 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 -9.992 -13.979 0.497 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 -15.773 -19.939 16.199 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 -14.943 -20.159 15.789 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 -15.703 -20.279 17.089 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 -5.135 10.376 14.358 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 -5.965 10.636 14.758 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 -5.125 9.416 14.408 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -20.203 6.792 -23.542 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -19.713 7.612 -23.572 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -20.173 6.532 -22.622 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 23.794 12.369 2.588 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 24.364 11.759 3.038 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 23.014 11.859 2.378 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 12.696 10.919 14.251 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 12.056 11.579 14.521 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 13.366 11.399 13.761 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 -21.766 25.154 12.088 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 -22.436 25.844 12.148 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 -21.796 24.724 12.948 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 -3.186 -1.531 0.069 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 -3.176 -2.161 -0.651 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 -4.016 -1.681 0.509 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 -11.683 21.463 18.004 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 -11.523 20.523 17.924 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 -12.483 21.613 17.494 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 -2.859 1.590 19.830 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 -2.309 2.330 20.100 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 -2.739 0.940 20.530 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 23.693 18.617 23.472 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 24.053 19.447 23.162 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 23.473 18.777 24.392 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 -3.983 -8.547 2.416 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 -3.993 -8.547 3.376 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 -4.183 -9.457 2.176 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 18.187 -19.488 -1.341 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 17.997 -18.588 -1.611 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 19.107 -19.628 -1.601 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 -17.670 -23.401 6.127 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 -18.249 -24.161 6.197 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 -17.199 -23.521 5.307 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 5.806 -20.092 -5.141 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 6.356 -19.342 -4.921 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 5.136 -20.102 -4.451 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 -12.066 16.291 23.647 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 -11.946 15.551 24.247 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 -11.446 16.121 22.937 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 -20.536 10.312 21.640 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 -19.686 9.932 21.870 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 -20.316 11.032 21.050 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 20.541 20.092 8.632 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 19.951 20.742 9.022 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 20.851 19.572 9.382 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 23.049 0.373 -5.799 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 22.739 -0.507 -6.019 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 22.629 0.943 -6.439 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 -9.826 4.189 23.524 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 -9.756 3.299 23.884 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 -10.766 4.359 23.494 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -18.862 -3.379 3.715 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -18.092 -3.449 4.285 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -18.922 -4.229 3.275 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -7.711 8.875 -8.637 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -7.211 8.555 -7.877 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -7.761 8.125 -9.217 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 -0.327 -16.068 -24.402 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 -0.707 -16.448 -25.192 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 -0.607 -15.158 -24.412 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -19.151 -14.230 3.543 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -19.701 -13.540 3.163 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -19.541 -14.410 4.393 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 -0.502 24.682 -23.160 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 -1.412 24.792 -22.860 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 -0.352 25.442 -23.720 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 -23.553 21.492 -4.907 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 -24.193 21.702 -4.227 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 -24.023 21.622 -5.727 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 16.975 0.766 10.146 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 16.805 1.086 11.026 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 17.035 1.556 9.606 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 4.578 14.417 24.604 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 4.238 14.597 25.474 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 4.258 15.137 24.064 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 22.358 -21.860 -10.572 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 22.968 -21.440 -11.182 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 22.558 -21.470 -9.722 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 -1.155 -18.378 -0.600 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 -0.775 -18.678 0.220 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 -1.355 -17.448 -0.440 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 7.577 -23.843 -23.010 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 7.817 -23.273 -23.740 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 8.277 -24.493 -22.970 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -7.264 23.410 -19.087 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -6.434 23.520 -18.617 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -7.094 23.770 -19.967 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 3.036 -4.519 -3.071 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 2.596 -4.999 -3.771 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 2.326 -4.039 -2.631 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 -20.705 20.151 -17.709 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 -21.645 20.141 -17.859 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 -20.585 19.601 -16.929 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 -23.397 17.090 -19.744 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 -23.897 17.900 -19.784 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 -23.817 16.520 -20.394 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 17.322 0.862 21.796 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 16.772 0.072 21.746 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 17.582 1.032 20.896 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -24.259 24.065 9.735 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -24.519 24.875 10.175 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -23.489 24.305 9.225 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 -0.865 21.239 15.939 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 -0.765 20.289 15.969 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 -1.645 21.419 16.469 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 1.603 -9.077 21.093 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 0.953 -8.377 21.133 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 1.093 -9.867 20.943 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -8.069 -3.883 13.745 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -8.099 -3.503 14.615 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -7.159 -3.743 13.455 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 -0.954 14.953 -19.542 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 -1.444 14.243 -19.952 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 -1.504 15.203 -18.792 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 -8.673 -16.168 18.250 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 -9.033 -16.468 17.420 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 -8.523 -15.228 18.130 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 7.859 -2.485 -7.069 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 7.809 -2.185 -7.979 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 6.959 -2.435 -6.749 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 -9.841 -2.698 -8.621 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 -9.461 -2.008 -9.161 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 -9.361 -3.488 -8.871 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 4.046 -21.805 2.381 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 3.336 -21.385 2.881 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 4.706 -22.015 3.041 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 -8.695 -8.918 16.533 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 -8.545 -7.978 16.473 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 -8.105 -9.218 17.223 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 1.686 22.845 23.929 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 2.486 22.455 23.559 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 1.386 23.455 23.249 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 -4.624 2.022 -11.944 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 -4.934 2.372 -12.794 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 -4.174 2.762 -11.544 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 5.256 -8.499 -25.512 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 5.866 -7.839 -25.172 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 5.036 -9.029 -24.742 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 4.518 -10.206 7.641 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 4.508 -11.096 7.291 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 5.278 -10.176 8.221 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -4.541 3.322 -14.239 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -4.061 2.662 -14.739 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -4.541 4.092 -14.809 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 0.797 15.422 5.623 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 1.437 14.802 5.993 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 0.367 14.932 4.933 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 3.519 -15.468 16.264 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 2.629 -15.378 15.924 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 3.469 -16.218 16.864 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 5.773 -18.115 -19.596 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 6.083 -18.615 -18.836 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 4.933 -18.505 -19.816 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 13.805 -7.282 22.583 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 13.245 -6.612 22.183 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 14.335 -7.612 21.853 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 20.552 -2.708 -16.179 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 21.482 -2.898 -16.079 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 20.122 -3.558 -16.099 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 -14.704 24.357 12.293 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 -13.824 24.117 12.573 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 -15.254 24.177 13.053 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 6.115 12.407 -4.617 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 6.905 12.347 -4.087 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 6.355 12.947 -5.367 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 -16.141 13.804 -0.417 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 -15.261 14.114 -0.187 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 -16.641 13.864 0.393 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 14.724 25.028 -1.942 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 15.524 24.508 -2.022 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 14.494 24.988 -1.012 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 10.521 -14.528 24.688 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 11.331 -15.038 24.758 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 10.541 -13.928 25.428 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 -20.568 3.550 1.429 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 -20.968 2.690 1.329 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 -19.998 3.460 2.199 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 15.775 -11.476 2.419 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 16.115 -10.646 2.769 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 16.415 -11.726 1.749 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 10.811 9.442 12.203 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 11.541 9.592 11.603 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 10.471 10.322 12.383 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 -11.656 -24.478 -15.222 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 -11.076 -25.068 -15.702 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 -12.506 -24.588 -15.642 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 9.665 -4.278 -14.933 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 10.535 -3.888 -14.893 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 9.825 -5.217 -14.963 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 -3.453 -2.458 -19.229 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 -3.753 -2.088 -20.059 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 -2.853 -1.808 -18.869 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 -2.254 8.312 12.240 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 -2.454 9.012 11.630 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 -1.354 8.462 12.500 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 -12.394 20.351 -5.540 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 -12.264 20.691 -4.660 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 -11.654 20.701 -6.040 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 21.572 0.897 -15.287 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 21.562 1.857 -15.247 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 22.502 0.667 -15.317 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 -22.881 -24.394 5.817 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 -22.871 -25.344 5.957 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 -23.741 -24.114 6.137 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 14.331 8.042 -14.796 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 14.801 8.872 -14.906 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 14.951 7.372 -15.096 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 -19.351 -24.417 -8.024 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 -18.821 -24.767 -8.754 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 -19.901 -25.157 -7.764 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 -0.166 -8.175 -7.631 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 -0.326 -8.635 -8.451 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 0.784 -8.095 -7.571 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 12.228 -22.331 -13.656 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 11.308 -22.521 -13.826 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 12.578 -23.131 -13.276 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 -21.571 22.183 3.704 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 -22.101 22.143 4.504 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 -22.201 22.303 2.994 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 -23.789 -17.008 -14.059 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 -22.889 -16.918 -14.379 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 -23.839 -16.398 -13.329 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 24.895 -10.969 12.880 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 25.835 -11.049 13.070 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 24.845 -11.019 11.920 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 19.180 -9.635 22.500 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 18.941 -9.365 23.380 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 18.361 -9.865 22.080 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 -8.034 19.785 -19.717 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 -7.474 19.005 -19.697 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 -7.974 20.135 -18.827 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 -20.364 9.175 -8.222 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 -20.704 9.995 -7.882 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 -19.594 8.985 -7.672 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 -8.452 12.672 -14.854 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 -8.102 12.922 -15.704 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 -8.292 13.422 -14.284 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 -24.481 17.544 20.496 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 -24.901 16.824 20.026 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 -24.631 18.314 19.936 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 -10.992 19.817 -18.404 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 -10.722 19.007 -18.834 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 -10.432 19.887 -17.634 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 4.602 10.500 -3.219 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 5.192 10.930 -3.829 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 5.182 10.010 -2.629 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 -4.856 -10.814 14.735 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 -4.006 -10.484 15.025 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 -4.796 -11.764 14.835 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 -0.763 2.303 17.311 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 -0.823 2.283 16.351 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 -1.553 1.863 17.621 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 -24.003 -7.252 -12.537 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 -24.123 -8.022 -11.977 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 -23.513 -7.572 -13.287 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 -20.745 12.341 11.810 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 -21.665 12.201 11.590 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 -20.415 11.471 12.020 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 -2.309 10.527 10.181 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 -2.349 11.227 9.521 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 -1.559 10.767 10.731 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -3.343 19.186 -16.717 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -3.593 19.926 -17.277 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -4.073 19.096 -16.097 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 6.534 1.223 -1.757 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 6.314 2.133 -1.937 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 6.054 0.723 -2.417 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 16.197 -6.537 6.409 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 16.827 -7.257 6.349 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 15.797 -6.487 5.539 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 -2.855 -21.588 -15.690 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 -2.085 -21.298 -16.170 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 -3.445 -21.938 -16.360 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 13.375 10.332 -0.167 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 13.285 11.122 0.363 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 12.895 9.662 0.313 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 -14.383 -3.439 23.445 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 -13.843 -4.219 23.265 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 -14.843 -3.649 24.255 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 19.042 -14.842 -12.134 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 19.352 -15.702 -11.834 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 19.802 -14.452 -12.554 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -21.173 0.714 9.785 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -21.123 1.664 9.665 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -20.803 0.344 8.985 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 10.303 21.016 4.118 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 10.023 20.836 5.018 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 11.093 20.496 4.008 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 13.717 21.888 -7.668 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 13.477 21.698 -8.578 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 13.267 22.718 -7.478 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 10.824 2.362 7.162 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 11.644 2.282 6.672 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 11.094 2.452 8.072 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 21.035 3.797 -14.352 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 20.915 4.557 -13.782 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 20.235 3.287 -14.252 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 19.229 -24.897 2.089 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 19.829 -24.357 1.579 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 18.569 -25.177 1.449 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 -13.524 13.557 3.383 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 -13.444 12.707 2.963 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 -13.564 14.177 2.653 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 -14.311 -17.045 -11.660 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 -13.741 -16.665 -12.330 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 -15.161 -17.125 -12.090 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 22.671 -24.822 22.676 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 21.931 -25.362 22.966 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 23.281 -24.842 23.406 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 12.243 1.245 -3.293 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 13.013 0.705 -3.433 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 12.183 1.805 -4.063 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 -10.011 -3.505 -2.205 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 -10.071 -3.795 -3.115 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 -10.611 -4.095 -1.735 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 6.109 -7.314 -10.671 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 5.439 -6.684 -10.921 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 5.679 -8.164 -10.751 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 -19.531 21.026 22.170 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 -18.671 20.656 22.350 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 -19.641 21.706 22.840 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 -24.306 3.191 24.985 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 -24.756 2.451 25.395 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 -24.946 3.561 24.385 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 -15.184 -20.508 -17.586 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 -16.124 -20.458 -17.416 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 -15.114 -20.838 -18.486 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 -14.302 -0.818 -18.037 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 -14.742 -0.278 -17.377 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 -14.892 -0.798 -18.797 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 16.714 21.397 11.103 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 16.734 21.147 10.183 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 17.594 21.727 11.283 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 19.966 22.907 19.848 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 20.406 23.407 20.538 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 19.536 22.187 20.308 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 24.997 -15.741 -19.911 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 24.647 -15.361 -19.101 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 25.717 -16.301 -19.611 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 -0.208 22.368 12.847 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 -0.688 21.628 13.217 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 -0.008 22.928 13.597 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 -17.833 10.151 2.132 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 -18.193 11.031 2.072 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 -18.343 9.641 1.492 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 3.193 25.576 15.579 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 2.723 24.966 14.999 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 3.023 25.246 16.459 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 2.251 -3.115 -17.854 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 1.911 -4.005 -17.784 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 3.201 -3.225 -17.814 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 7.299 15.517 16.320 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 7.389 14.737 16.870 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 8.169 15.907 16.310 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 -12.928 4.906 16.613 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 -13.018 5.366 15.783 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 -12.308 4.206 16.443 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 -24.162 12.022 -25.095 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 -23.782 12.772 -25.555 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 -24.542 12.402 -24.305 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 -13.452 17.780 -5.981 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 -13.612 17.750 -6.921 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 -13.192 18.690 -5.811 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -4.033 -0.061 -8.727 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -3.693 0.809 -8.937 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -3.883 -0.571 -9.527 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -9.732 -16.874 -12.248 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -9.652 -17.554 -12.918 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -10.342 -17.244 -11.608 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 -18.701 5.122 24.612 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 -17.821 5.492 24.552 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 -19.171 5.702 25.212 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 24.103 6.341 -12.857 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 24.783 5.721 -13.117 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 23.583 6.471 -13.657 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 25.105 14.484 -17.217 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 24.355 14.814 -16.717 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 25.795 15.124 -17.067 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 -0.712 -3.011 -4.570 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 -1.002 -3.821 -4.980 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 -1.402 -2.371 -4.790 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 -8.183 -21.720 15.984 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 -8.863 -21.310 15.454 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 -8.573 -21.810 16.854 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 10.267 -13.941 -14.106 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 10.177 -14.541 -13.376 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 9.727 -14.321 -14.796 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -6.936 1.749 17.906 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -7.326 1.149 18.546 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -7.646 2.339 17.666 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 4.803 9.971 -6.076 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 4.433 9.491 -5.346 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 4.493 10.871 -5.966 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 16.142 16.022 -0.359 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 15.562 15.262 -0.269 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 15.592 16.702 -0.739 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 -24.455 10.335 -0.850 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 -24.065 9.855 -0.130 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 -23.715 10.775 -1.280 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 24.798 7.807 2.106 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 24.688 6.917 2.436 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 24.868 8.347 2.886 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 -11.566 18.158 -0.600 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 -11.056 17.958 0.180 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 -12.416 18.448 -0.260 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 22.786 -3.053 8.349 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 21.986 -2.523 8.409 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 23.216 -2.753 7.549 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 20.640 13.764 -14.274 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 20.080 12.994 -14.384 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 20.721 13.864 -13.324 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 16.415 -6.812 18.866 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 16.755 -6.522 18.016 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 16.735 -6.142 19.486 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 -3.163 -13.143 -8.498 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 -2.393 -13.713 -8.538 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 -3.873 -13.673 -8.868 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 17.997 -7.089 14.281 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 17.927 -6.389 14.931 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 18.407 -7.819 14.751 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 2.408 -7.893 0.752 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 2.798 -7.183 0.252 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 1.498 -7.633 0.872 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 24.342 -5.608 21.186 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 24.532 -5.868 22.086 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 25.172 -5.268 20.846 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 16.285 5.626 -20.077 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 16.315 6.426 -19.547 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 16.765 5.856 -20.867 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 -16.903 12.770 -17.281 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 -16.443 13.130 -16.521 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 -17.273 13.530 -17.721 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 22.779 -15.751 -24.415 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 22.649 -16.571 -23.935 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 22.729 -15.991 -25.335 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 -8.681 18.410 21.696 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 -7.801 18.210 21.376 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 -9.041 19.020 21.056 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -18.205 -22.258 -6.631 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -17.755 -22.868 -6.041 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -18.915 -22.768 -7.021 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 20.911 -17.893 10.088 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 20.840 -17.333 9.318 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 20.851 -18.783 9.738 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 13.150 13.781 12.784 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 13.061 14.591 13.284 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 12.460 13.831 12.124 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 1.161 -17.276 -19.120 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 1.861 -16.646 -18.960 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 0.430 -16.736 -19.460 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 5.268 23.934 -1.591 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 5.428 23.164 -2.131 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 4.358 23.854 -1.311 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 -0.848 -6.477 -14.847 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 -0.278 -7.177 -14.517 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 -0.248 -5.767 -15.087 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 9.752 -4.933 2.949 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 9.262 -5.003 2.129 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 10.102 -4.043 2.949 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 23.212 -7.302 -9.774 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 23.842 -6.602 -9.954 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 22.542 -6.882 -9.224 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 -23.417 24.264 17.663 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 -23.567 23.754 16.863 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 -24.277 24.314 18.083 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 24.363 -0.533 -14.770 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 23.963 -0.113 -14.010 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 23.833 -1.323 -14.910 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 20.517 21.857 -13.401 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 20.227 22.137 -14.271 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 20.307 20.927 -13.371 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -3.847 -7.384 9.890 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -3.837 -8.304 10.140 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -3.027 -7.254 9.420 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 23.599 20.656 -1.245 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 24.309 20.026 -1.315 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 23.279 20.546 -0.345 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 -17.555 -17.058 16.903 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 -17.545 -16.487 17.673 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 -16.655 -17.037 16.573 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 -21.514 -20.935 -9.973 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 -20.754 -21.515 -10.073 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 -21.334 -20.445 -9.173 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 -16.991 5.690 -15.690 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 -16.491 5.980 -14.930 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 -16.731 4.780 -15.820 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 -23.991 6.477 -18.522 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 -23.941 6.977 -19.332 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 -24.721 5.867 -18.662 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 13.624 4.091 -24.347 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 14.314 4.081 -24.997 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 13.124 3.291 -24.507 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 -19.292 4.213 -22.250 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 -19.332 3.303 -21.980 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 -19.972 4.303 -22.920 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 18.581 15.393 22.907 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 18.001 15.823 23.537 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 18.791 16.073 22.267 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 -15.473 -5.694 10.167 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 -15.263 -4.904 10.667 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 -15.393 -5.424 9.247 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 20.054 -4.747 -14.109 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 19.894 -5.437 -14.749 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 20.084 -5.207 -13.269 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -1.014 25.072 9.899 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -1.434 24.322 9.489 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -0.114 24.782 10.069 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 11.409 -0.624 -7.691 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 11.969 -1.114 -7.091 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 11.409 -1.134 -8.501 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -4.133 -17.699 11.364 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -3.513 -16.969 11.424 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -3.593 -18.479 11.424 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 18.053 -11.502 -7.112 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 17.833 -11.452 -8.052 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 17.763 -12.382 -6.852 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 12.367 8.486 -2.348 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 12.217 7.726 -1.788 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 11.727 9.136 -2.048 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 23.077 -11.821 -9.120 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 23.387 -11.291 -9.860 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 22.387 -11.301 -8.730 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 24.432 2.354 -14.540 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 24.982 1.634 -14.240 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 23.762 2.444 -13.860 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 2.982 -4.503 2.276 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 3.152 -3.553 2.286 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 3.772 -4.883 1.906 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 -19.983 18.413 24.020 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 -19.783 17.473 23.960 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 -20.643 18.553 23.350 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 10.059 23.733 23.187 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 10.579 23.793 22.377 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 9.209 24.103 22.947 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 23.652 -20.818 23.919 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 23.912 -21.738 23.839 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 24.462 -20.318 23.789 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 -18.117 19.915 13.034 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 -17.887 19.235 12.404 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 -17.277 20.155 13.434 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 4.308 22.106 6.697 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 3.758 22.876 6.537 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 5.128 22.296 6.247 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 -2.886 20.916 0.239 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 -3.576 21.156 -0.371 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -2.966 19.966 0.329 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 -0.674 5.897 20.879 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 -1.244 5.537 20.199 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 -0.254 6.657 20.469 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 0.907 6.006 -6.664 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 1.117 5.076 -6.794 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 1.417 6.456 -7.334 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -7.094 5.333 8.988 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -6.364 5.933 8.838 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -7.184 4.853 8.168 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 -16.350 22.087 -17.018 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 -17.040 22.497 -16.498 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 -16.399 21.157 -16.788 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 15.173 23.228 23.907 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 14.503 23.208 24.587 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 15.563 24.098 23.977 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 12.780 -22.613 4.463 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 12.380 -23.213 5.093 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 12.250 -22.713 3.673 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -19.004 -12.907 -22.747 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -19.034 -12.277 -23.457 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -18.854 -13.747 -23.177 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 -12.313 -4.137 -5.957 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 -11.393 -4.407 -6.027 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 -12.723 -4.467 -6.757 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 -21.603 -12.998 -21.166 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 -21.143 -13.658 -21.676 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 -20.913 -12.418 -20.856 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 16.783 -3.062 17.347 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 17.713 -3.252 17.507 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 16.713 -3.052 16.387 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 5.795 0.662 -13.794 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 5.475 1.242 -14.484 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 5.365 0.982 -13.004 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -12.941 -11.888 -9.071 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -12.461 -11.448 -9.771 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -12.281 -12.108 -8.421 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 10.358 -2.109 -0.924 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 9.658 -1.769 -1.474 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 10.648 -2.919 -1.364 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 -14.732 16.532 23.052 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 -13.812 16.402 23.292 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 -14.732 16.512 22.092 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 -16.124 -3.432 0.895 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 -15.384 -3.762 0.395 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 -15.894 -3.612 1.805 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 -10.721 -20.788 22.976 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 -10.061 -21.358 23.376 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 -10.231 -20.148 22.466 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -22.241 15.421 -8.135 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -21.531 14.811 -7.955 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -22.211 16.051 -7.415 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 2.033 -9.282 18.384 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 1.473 -9.682 17.724 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 1.963 -9.852 19.154 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 14.473 8.382 -11.347 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 13.853 7.702 -11.087 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 14.723 8.142 -12.247 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 -13.792 -21.626 15.589 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 -14.082 -22.496 15.309 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 -13.392 -21.776 16.449 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 7.653 13.910 -16.225 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 7.553 14.750 -16.685 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 6.853 13.830 -15.705 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 -11.468 -3.558 25.380 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 -11.578 -2.828 24.760 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 -11.228 -4.308 24.840 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -21.481 18.437 -15.710 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -21.901 17.617 -15.980 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -22.021 18.747 -14.980 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 -0.705 -22.653 -23.301 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 -0.825 -21.773 -22.941 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 -0.655 -22.533 -24.241 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 13.308 -12.518 -18.100 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 13.958 -11.968 -18.550 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 12.488 -12.038 -18.190 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 -23.976 0.684 -13.604 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 -23.946 0.064 -14.324 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 -24.026 0.134 -12.814 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 -4.046 3.306 24.741 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 -3.286 3.756 25.101 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 -4.106 3.616 23.831 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 -1.477 -7.079 -3.551 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 -2.017 -7.149 -2.761 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 -2.087 -7.209 -4.271 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 21.966 -1.396 -10.848 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 21.786 -1.726 -11.728 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 21.206 -1.666 -10.328 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 -13.288 19.018 23.471 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 -12.708 18.258 23.471 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 -12.738 19.748 23.211 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 -4.732 15.739 -8.193 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 -3.972 15.599 -7.633 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 -4.742 14.969 -8.773 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 7.539 21.298 2.506 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 8.139 20.608 2.806 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 8.079 22.078 2.466 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 -10.397 8.077 -9.631 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 -9.667 8.437 -9.121 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 -11.007 8.817 -9.731 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 9.428 21.087 -15.282 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 8.488 21.137 -15.102 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 9.818 21.667 -14.622 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 -20.315 14.986 5.296 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 -19.685 15.546 5.746 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 -21.135 15.096 5.786 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 -4.835 21.210 -8.340 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 -4.905 21.420 -7.410 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 -5.555 20.600 -8.500 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 6.056 -0.678 4.192 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 5.406 -0.378 4.832 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 6.536 -1.368 4.642 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 10.353 22.933 -18.306 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 11.173 22.443 -18.266 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 9.733 22.333 -18.706 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 -15.938 -7.585 16.209 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 -15.158 -7.185 15.819 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 -16.258 -8.185 15.529 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 12.642 14.003 -10.512 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 13.572 13.843 -10.362 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 12.532 14.943 -10.342 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 -8.899 13.842 9.247 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 -8.419 13.062 9.537 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 -9.659 13.492 8.777 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 6.344 -4.238 -8.477 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 6.484 -4.198 -7.537 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 6.224 -3.328 -8.747 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 3.735 10.122 22.192 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 3.535 10.372 23.092 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 4.015 10.932 21.772 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -4.658 -17.770 18.082 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -5.268 -17.040 17.952 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -4.978 -18.210 18.872 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 -11.817 24.638 -20.654 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 -12.447 24.908 -19.984 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 -11.317 23.928 -20.244 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 -14.004 -17.874 -24.197 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 -13.424 -17.134 -24.347 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 -14.004 -17.994 -23.247 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 -6.513 7.687 11.331 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 -6.353 8.617 11.461 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 -5.753 7.257 11.731 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 -3.244 9.972 -4.082 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 -3.934 9.542 -3.582 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 -3.304 10.892 -3.842 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 -16.913 8.960 21.557 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 -16.383 8.310 22.027 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 -17.253 9.530 22.247 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 -4.181 22.284 -20.853 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 -3.531 22.974 -20.983 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 -5.011 22.704 -21.063 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -23.525 7.125 -21.244 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -23.835 7.465 -22.084 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -22.895 6.445 -21.484 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 -0.052 -3.880 -11.991 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 0.328 -4.530 -11.411 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 0.118 -3.040 -11.561 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 -20.118 -12.051 12.087 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 -19.938 -11.211 11.667 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 -20.688 -12.511 11.467 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 -23.994 -9.466 24.922 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 -24.644 -9.746 25.572 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 -23.374 -10.196 24.882 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 11.572 23.470 -6.151 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 11.932 24.310 -6.461 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 12.002 23.320 -5.311 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -9.478 -6.101 -0.457 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -10.288 -5.641 -0.237 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -9.288 -6.631 0.323 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 -19.494 -18.881 -0.934 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 -20.314 -19.261 -0.614 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 -19.094 -18.481 -0.174 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -12.192 1.346 -5.136 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -12.292 1.556 -6.066 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -12.992 1.666 -4.726 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 18.317 -21.191 0.741 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 18.257 -20.531 0.041 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 17.797 -21.931 0.421 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 14.021 23.017 -23.959 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 13.291 22.467 -23.699 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 14.681 22.877 -23.279 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 17.298 -7.487 -22.922 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 17.988 -7.127 -23.492 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 17.718 -8.217 -22.462 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 -9.656 15.601 11.155 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 -8.836 15.331 10.735 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 -9.726 16.531 10.965 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 14.807 24.072 -4.624 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 14.507 24.412 -5.464 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 14.667 24.792 -4.004 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -16.035 -2.038 -2.011 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -16.295 -2.848 -2.441 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -15.365 -1.658 -2.591 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 -21.566 4.554 -7.647 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 -22.406 4.504 -8.117 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 -21.586 3.814 -7.037 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 -18.668 3.686 4.059 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 -19.318 2.996 4.159 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 -17.968 3.286 3.539 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 -0.669 21.032 5.903 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 -0.189 21.862 5.933 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 -0.749 20.832 4.973 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 3.531 14.297 -8.616 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 2.851 13.977 -8.026 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 3.061 14.767 -9.306 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 5.063 0.199 24.596 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 4.363 0.389 25.226 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 4.983 -0.741 24.436 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 18.135 -8.585 -5.499 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 18.195 -7.965 -6.219 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 17.435 -9.185 -5.759 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -7.403 -20.161 23.060 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -7.993 -19.601 23.560 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -7.513 -21.031 23.450 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -18.237 3.982 -4.338 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -18.637 4.162 -3.488 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -17.567 3.332 -4.158 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 22.508 -13.631 0.712 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 23.068 -14.011 0.052 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 22.308 -14.351 1.312 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -7.005 15.570 21.845 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -6.905 15.130 22.685 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -7.935 15.470 21.635 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 -1.949 -1.044 -10.311 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 -1.420 -0.254 -10.321 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 -2.309 -1.104 -11.191 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -23.968 -21.437 5.368 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -23.548 -21.017 4.628 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 -23.458 -22.237 5.528 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 -12.111 -7.008 -10.157 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 -12.941 -7.248 -10.577 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 -11.661 -6.468 -10.807 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 25.318 19.433 -19.715 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 25.748 20.283 -19.835 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 24.668 19.393 -20.425 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 13.501 -0.040 -0.518 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 12.821 0.130 -1.168 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 14.141 0.660 -0.648 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 7.668 -8.670 -3.237 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 7.018 -9.330 -3.477 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 7.998 -8.350 -4.077 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 -19.668 -21.582 24.439 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 -19.518 -22.502 24.649 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 -19.898 -21.582 23.509 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 11.436 18.732 -11.518 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 11.716 18.782 -10.608 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 11.806 19.522 -11.918 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 -3.275 -5.168 7.926 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 -2.855 -5.818 7.366 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 -2.625 -4.468 8.016 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 -11.018 -21.360 -8.663 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 -10.718 -21.740 -7.833 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 -11.518 -20.590 -8.403 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 1.221 -5.546 -18.980 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 0.861 -6.416 -18.820 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 0.460 -5.026 -19.270 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 5.321 3.803 -0.671 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 5.731 4.443 -1.251 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 4.381 3.873 -0.861 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 -12.655 10.092 12.049 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 -13.205 9.332 11.889 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 -12.255 9.932 12.909 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -1.591 23.867 4.515 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -2.101 23.297 3.935 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -2.241 24.197 5.145 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -23.623 11.528 12.288 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -23.683 12.288 11.708 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 -24.513 11.418 12.618 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 3.868 4.323 15.301 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 3.228 4.993 15.071 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 3.448 3.813 15.991 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 13.004 12.981 3.130 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 13.824 12.671 3.500 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 13.214 13.831 2.750 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -15.463 -12.528 13.362 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -14.673 -12.008 13.252 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -16.173 -11.878 13.352 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 13.932 8.367 12.793 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 14.822 8.137 12.533 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 13.442 8.367 11.963 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -8.802 -16.618 -4.491 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -8.642 -15.698 -4.711 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -9.602 -16.618 -3.961 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 20.012 -12.770 10.648 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 20.812 -13.220 10.908 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 19.882 -13.020 9.728 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 14.182 -4.123 3.991 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 13.592 -4.383 4.701 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 14.692 -3.403 4.351 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 -0.713 11.062 -16.874 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 -0.993 10.422 -16.214 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 -0.643 11.882 -16.394 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 9.956 19.391 -23.331 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 9.636 19.601 -24.211 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 9.236 19.621 -22.751 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 10.167 15.722 -11.788 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 10.867 15.402 -12.358 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 10.587 16.402 -11.258 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 -22.249 5.951 17.153 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 -22.209 6.701 16.563 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 -21.699 6.211 17.893 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -14.276 12.260 -9.515 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -14.666 11.820 -8.755 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -14.836 12.010 -10.245 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 -12.118 18.292 -15.648 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 -11.248 17.922 -15.528 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 -12.598 17.632 -16.148 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 18.985 7.681 11.074 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 19.375 7.031 10.484 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 19.325 8.521 10.754 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 -14.635 -20.578 8.159 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 -14.565 -19.908 7.489 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 -14.255 -21.358 7.769 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 -7.926 -11.028 -10.408 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 -7.416 -10.298 -10.058 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 -7.276 -11.658 -10.708 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 2.715 0.312 22.928 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 2.595 -0.438 22.338 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 2.935 -0.068 23.768 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 16.467 -9.298 -18.545 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 17.137 -8.808 -18.065 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 16.967 -9.938 -19.055 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 20.009 18.458 2.396 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 20.739 18.378 3.006 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 20.349 19.018 1.696 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 -17.468 -2.584 14.135 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 -17.488 -2.204 15.005 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 -17.638 -3.514 14.275 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 13.323 7.906 18.378 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 12.763 8.516 18.858 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 13.623 8.406 17.618 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 10.449 3.103 -15.481 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 10.349 3.493 -16.351 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 11.369 2.843 -15.431 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 -20.896 -3.788 -24.154 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 -21.646 -4.068 -23.634 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 -21.116 -4.058 -25.044 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 -19.669 -0.966 -5.260 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 -20.019 -0.256 -5.810 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 -20.409 -1.576 -5.170 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 -12.223 14.127 9.722 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 -12.303 13.767 10.612 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 -11.293 14.357 9.642 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 -14.927 -5.070 -7.067 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 -15.147 -5.090 -6.137 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 -14.597 -5.950 -7.257 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -24.475 20.680 22.054 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -24.335 21.030 21.174 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -23.675 20.200 22.254 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 24.569 -7.143 3.427 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 24.479 -7.973 3.887 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 23.759 -7.053 2.927 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 -8.755 6.582 -24.531 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 -8.785 5.932 -25.231 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 -9.035 7.392 -24.951 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 -1.314 -11.808 17.736 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 -0.834 -11.578 16.946 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 -2.194 -11.448 17.596 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 -14.608 7.724 12.414 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 -15.068 7.004 11.974 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 -15.118 8.504 12.204 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 17.265 11.094 15.897 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 16.905 11.404 15.067 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 18.185 10.904 15.717 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 -7.638 22.542 -15.629 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 -6.768 22.802 -15.919 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 -8.208 23.262 -15.889 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -5.813 -2.031 13.940 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -6.363 -1.341 14.320 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -5.503 -2.531 14.700 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 -3.043 4.773 -18.053 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 -3.923 5.133 -18.123 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 -3.003 4.093 -18.723 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -22.088 4.841 -11.038 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -21.818 4.461 -11.868 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -22.698 4.211 -10.668 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 -16.873 18.262 24.745 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 -17.793 18.112 24.545 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 -16.443 17.422 24.585 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -18.818 -13.498 -10.387 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -19.278 -13.348 -9.557 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -19.368 -13.078 -11.047 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 -17.655 17.301 9.005 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 -17.535 18.051 9.585 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 -17.735 17.681 8.135 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 -11.368 -21.399 4.355 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 -11.478 -21.319 5.305 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 -12.078 -21.979 4.085 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 23.356 5.941 5.405 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 23.726 5.671 4.555 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 24.096 5.861 6.015 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 -18.974 -5.558 15.763 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 -19.774 -5.368 15.283 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 -19.274 -5.918 16.603 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 -22.905 9.651 -4.925 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 -22.695 10.351 -4.305 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 -22.235 8.981 -4.765 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 21.197 -7.121 14.537 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 20.357 -6.761 14.827 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 21.777 -6.991 15.287 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 -7.759 5.315 13.207 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 -7.570 6.205 13.507 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 -7.570 4.775 13.977 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 -18.865 16.861 0.249 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 -18.805 16.731 1.189 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 -18.895 15.971 -0.121 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 18.887 23.721 -22.898 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 19.707 23.391 -22.538 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 18.887 24.651 -22.688 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 23.423 15.162 -11.074 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 23.843 16.022 -11.164 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 23.833 14.772 -10.304 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 4.533 -18.870 15.442 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 3.743 -18.330 15.392 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 4.213 -19.730 15.732 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 23.845 10.311 -4.434 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 24.245 11.051 -3.994 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 24.505 9.621 -4.404 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 -3.239 21.990 5.745 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 -3.149 21.700 4.845 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 -2.819 21.300 6.265 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 -21.007 13.147 7.889 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 -20.497 12.577 8.469 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 -20.577 13.067 7.039 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 10.571 -18.611 -3.424 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 11.501 -18.621 -3.224 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 10.141 -18.671 -2.574 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 10.705 5.732 6.996 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 9.785 5.602 7.206 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 10.915 6.592 7.356 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 4.385 -24.302 7.036 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 3.845 -25.092 6.996 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 4.685 -24.272 7.946 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 7.876 -7.824 -8.116 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 7.286 -7.474 -7.446 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 7.626 -7.364 -8.916 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 18.763 5.512 -2.988 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 18.583 5.962 -3.808 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 17.903 5.212 -2.678 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -5.824 -14.474 25.092 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -5.814 -14.624 24.152 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -6.614 -14.924 25.402 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 -3.863 -10.543 18.043 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 -4.393 -10.193 18.763 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 -3.303 -9.813 17.783 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -13.115 23.971 -22.829 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -12.495 24.311 -22.179 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -12.805 23.091 -23.019 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 -23.288 19.017 -6.211 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 -23.908 18.487 -5.711 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 -23.088 19.757 -5.641 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -16.562 6.054 -7.731 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -17.082 5.994 -8.541 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -15.652 6.014 -8.031 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -4.723 0.311 -21.951 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -5.393 0.261 -21.271 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -3.933 0.611 -21.491 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 13.024 2.046 -14.827 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 13.214 1.196 -15.227 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 13.574 2.666 -15.297 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 24.131 2.139 -17.480 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 24.141 2.229 -16.530 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 23.391 1.559 -17.660 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 -3.141 13.503 -12.202 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 -3.181 13.393 -11.252 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 -2.401 12.973 -12.472 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 -9.122 3.336 0.157 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 -8.642 3.556 -0.643 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 -9.972 3.036 -0.153 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 -0.932 -9.265 -18.395 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 -1.192 -8.335 -18.355 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 -1.692 -9.705 -18.765 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -0.955 9.010 14.994 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -1.525 8.310 15.314 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -1.525 9.540 14.424 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 19.177 20.883 21.652 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 19.317 20.663 22.572 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 18.317 21.303 21.632 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -2.922 2.484 -1.512 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -2.242 2.044 -1.012 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -3.622 2.654 -0.892 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -3.232 24.722 -21.671 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -4.172 24.572 -21.561 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -3.052 25.522 -21.181 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 -10.809 7.487 -22.906 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 -11.439 6.917 -23.356 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 -9.969 7.267 -23.306 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -21.639 2.269 -13.200 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 -21.949 3.099 -13.550 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 -22.309 1.629 -13.480 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -5.678 8.150 -0.448 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -5.858 7.230 -0.618 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -4.748 8.260 -0.628 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 -18.155 6.326 -18.415 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 -17.855 5.686 -17.765 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 -19.105 6.336 -18.315 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 13.972 -13.606 3.480 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 13.492 -12.846 3.810 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 13.942 -13.506 2.530 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 -5.834 0.852 -6.288 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 -5.904 -0.058 -6.588 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 -6.504 0.932 -5.618 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -21.574 23.330 8.084 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -22.274 22.950 7.554 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -21.154 23.980 7.524 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 -24.074 -3.518 -8.674 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 -24.374 -4.248 -8.124 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -23.124 -3.538 -8.574 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 12.826 -8.597 -6.540 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 13.266 -8.547 -7.390 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 12.756 -7.687 -6.250 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 25.225 16.628 -2.096 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 24.405 17.128 -2.126 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 25.245 16.258 -1.216 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 -19.779 -13.277 -7.626 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 -20.549 -13.187 -7.066 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 -19.039 -13.287 -7.026 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 -8.002 12.744 12.039 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 -7.742 12.144 11.349 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 -8.082 12.194 12.819 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 0.047 -21.408 20.541 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 0.317 -20.778 21.201 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 0.817 -21.518 19.981 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 -20.396 7.914 -4.258 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 -19.866 7.154 -4.468 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 -19.766 8.614 -4.088 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 6.312 -5.642 1.903 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 7.182 -5.592 1.493 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 5.732 -5.192 1.293 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 17.181 8.066 -5.559 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 17.741 7.416 -5.969 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 17.521 8.136 -4.669 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 15.704 0.825 -6.470 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 16.334 0.135 -6.670 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 15.274 1.015 -7.300 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 10.316 13.239 4.772 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 9.746 13.929 4.422 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 11.066 13.719 5.122 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 13.506 -15.268 6.783 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 13.886 -14.398 6.943 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 13.056 -15.488 7.603 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 -19.845 19.736 3.070 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 -20.605 20.306 3.190 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 -19.095 20.316 3.200 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 20.125 -9.843 -24.965 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 19.945 -9.723 -24.035 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 19.685 -10.673 -25.185 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 2.867 -4.502 10.760 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 3.717 -4.152 10.480 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 2.827 -5.382 10.380 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 0.013 -10.755 -6.265 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 0.563 -10.775 -7.045 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 -0.837 -11.105 -6.555 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 19.554 -0.918 -1.519 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 19.904 -1.708 -1.929 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 20.224 -0.648 -0.889 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 13.588 -12.365 6.826 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 13.158 -11.755 7.436 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 13.148 -12.215 5.996 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 8.641 -1.196 7.877 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 8.381 -0.296 7.677 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 8.481 -1.286 8.817 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 2.871 -15.181 -21.686 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 3.541 -15.801 -21.406 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 3.281 -14.691 -22.396 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 17.612 9.874 9.923 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 17.642 8.924 9.953 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 17.482 10.144 10.833 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 7.743 8.267 12.821 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 6.983 8.647 13.261 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 8.483 8.787 13.141 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 -15.116 -5.040 -12.350 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 -15.176 -4.630 -13.220 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 -15.646 -4.480 -11.790 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 8.324 24.255 -21.297 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 8.424 25.005 -20.707 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 8.104 23.525 -20.727 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 17.986 -0.626 -6.614 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 18.116 0.324 -6.564 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 18.696 -0.986 -6.084 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 -21.314 1.357 12.833 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 -21.184 1.897 12.063 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 -22.234 1.487 13.063 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -12.894 11.510 16.559 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -12.894 10.640 16.959 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -13.744 11.580 16.139 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -11.065 -3.321 17.422 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -11.555 -3.481 18.222 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -10.175 -3.601 17.622 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 -7.309 8.272 2.320 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 -6.739 8.422 1.570 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 -7.509 7.332 2.290 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 20.969 14.547 -11.431 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 20.889 13.957 -10.691 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 21.909 14.707 -11.511 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 -12.189 -12.118 12.770 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 -12.279 -11.318 13.280 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 -12.430 -11.858 11.880 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 -14.449 9.003 3.557 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 -14.799 8.253 3.077 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 -13.889 8.623 4.237 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 21.341 -17.500 -6.025 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 21.931 -18.190 -5.735 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 21.281 -16.910 -5.275 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 24.988 -0.819 -9.282 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 25.528 -1.469 -8.832 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 24.368 -1.329 -9.802 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 -15.753 23.921 7.476 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 -16.683 24.061 7.666 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 -15.743 23.451 6.646 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 19.802 24.688 22.546 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 19.702 25.388 21.896 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 19.122 24.868 23.196 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -21.249 -3.744 15.449 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -20.979 -3.604 16.349 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -21.479 -2.884 15.119 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 -18.185 -4.144 -23.563 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 -18.015 -4.774 -22.873 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 -19.145 -4.144 -23.663 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 5.101 -1.638 -12.110 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 5.231 -1.268 -12.990 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 5.321 -2.568 -12.210 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 -22.557 -18.396 5.718 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 -22.867 -18.026 6.538 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 -22.367 -19.306 5.918 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 -15.035 23.119 15.005 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 -14.775 22.729 15.845 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 -15.665 23.809 15.255 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 2.811 -20.375 -24.192 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 3.091 -19.605 -24.682 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 1.891 -20.205 -23.992 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -8.369 -9.701 -16.349 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -8.649 -10.081 -17.189 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -8.379 -8.761 -16.499 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 6.756 -15.458 -5.324 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 5.856 -15.758 -5.464 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 7.236 -15.768 -6.094 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 10.371 2.504 -24.032 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 10.531 2.234 -23.122 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 11.201 2.344 -24.472 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 15.162 20.002 -22.290 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 15.112 20.922 -22.040 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 15.792 19.972 -23.010 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -16.545 -0.284 -11.304 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -17.255 -0.354 -10.664 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -16.325 -1.194 -11.524 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -15.269 -10.838 18.868 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -14.930 -11.028 17.998 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -14.589 -11.138 19.468 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 1.767 16.161 17.387 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 1.917 16.991 17.827 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 0.997 15.791 17.827 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 -23.216 -8.806 -10.216 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 -22.276 -8.756 -10.056 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 -23.576 -9.156 -9.396 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 7.831 21.203 -7.040 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 7.061 21.063 -7.600 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 7.481 21.213 -6.150 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 3.376 -15.803 -18.215 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 4.176 -15.993 -18.705 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 3.676 -15.443 -17.385 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 -13.205 -22.359 22.123 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 -13.915 -21.729 22.083 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 -12.485 -21.879 22.533 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -14.698 11.254 -14.952 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -14.138 10.694 -14.422 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -15.578 10.874 -14.862 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -24.415 1.877 -8.022 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -24.925 1.057 -8.052 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -23.825 1.817 -8.772 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -14.186 8.018 -3.953 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -13.496 7.678 -4.523 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -14.916 7.408 -4.063 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 25.179 -2.862 -19.094 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 25.569 -2.012 -19.334 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 24.929 -2.752 -18.174 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 -2.167 6.882 -21.183 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 -2.117 6.962 -20.233 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 -2.437 7.742 -21.493 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 -8.727 -15.078 -16.234 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 -7.827 -15.398 -16.274 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 -8.647 -14.178 -15.894 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 6.581 -1.668 -9.584 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 7.521 -1.528 -9.734 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 6.161 -1.388 -10.404 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 14.707 2.523 -0.365 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 14.577 2.623 0.585 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 15.647 2.613 -0.485 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 0.439 11.665 23.604 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 0.329 11.295 22.724 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 0.989 11.035 24.074 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 13.334 -12.368 -8.601 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 13.794 -11.557 -8.391 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 12.574 -12.358 -8.021 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 -12.308 -15.890 4.066 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 -12.698 -15.750 4.936 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 -12.228 -16.840 3.986 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 17.718 -4.208 -10.167 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 18.618 -4.317 -9.867 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 17.798 -3.837 -11.047 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 -18.444 22.736 12.557 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 -19.134 22.786 11.897 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 -18.524 21.856 12.937 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 19.517 22.307 10.080 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 19.297 22.747 9.260 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 20.057 22.937 10.560 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 -9.117 -8.528 13.205 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 -9.487 -7.648 13.245 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 -8.537 -8.588 13.975 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 -5.735 13.517 -18.497 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 -5.825 14.227 -19.127 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 -5.155 12.887 -18.927 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 -25.137 8.490 16.127 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 -24.447 9.150 16.087 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 -25.957 8.980 16.007 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 -14.561 -5.679 5.044 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 -14.351 -6.609 5.164 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 -15.161 -5.479 5.764 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 -5.454 -4.828 10.022 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 -5.234 -5.508 10.662 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 -4.614 -4.558 9.662 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -24.969 13.069 -12.104 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -24.229 13.109 -11.504 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -24.950 13.889 -12.584 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 18.386 -17.736 3.433 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 18.346 -17.766 2.483 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 17.506 -17.976 3.723 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 -11.065 -18.966 3.269 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 -10.315 -18.536 3.669 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 -11.225 -19.736 3.819 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 -5.241 -12.236 -18.502 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 -6.111 -12.526 -18.762 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 -5.341 -11.306 -18.302 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 21.136 -22.756 6.876 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 21.826 -23.266 7.296 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 21.186 -21.886 7.276 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 14.909 17.612 14.210 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 14.299 18.112 13.650 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 15.749 17.702 13.770 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -13.166 14.925 -1.825 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -13.336 15.365 -2.655 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -12.616 14.175 -2.065 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 -1.622 16.951 -17.559 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 -2.442 17.311 -17.209 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 -1.072 16.821 -16.779 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 -20.966 1.619 21.193 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 -21.406 1.819 20.363 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 -21.676 1.449 21.803 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 11.984 8.589 22.671 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 12.114 9.469 22.321 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 11.064 8.579 22.961 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 10.915 2.739 16.356 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 11.765 3.129 16.606 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 10.585 2.369 17.176 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 7.937 -0.661 -12.153 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 7.377 -0.121 -12.703 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 8.157 -0.101 -11.403 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -15.512 -13.409 20.504 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -16.412 -13.129 20.374 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -15.302 -13.159 21.404 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 20.637 -6.702 -12.029 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 20.197 -7.262 -11.389 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 21.497 -6.532 -11.639 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 -7.055 8.354 -19.350 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 -6.995 8.784 -20.210 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 -7.875 7.854 -19.390 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 16.997 1.415 3.885 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 17.707 1.095 4.445 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 16.707 0.635 3.405 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 -18.635 -19.831 -13.229 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 -18.535 -19.071 -12.649 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 -17.855 -20.371 -13.049 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 -19.725 -11.838 -19.961 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 -19.145 -11.818 -19.201 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 -19.255 -11.358 -20.641 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 -17.996 -3.018 -13.890 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 -18.836 -2.868 -13.450 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 -17.906 -2.298 -14.500 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 -24.267 -14.001 -7.660 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 -24.327 -14.701 -7.020 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 -24.757 -14.311 -8.420 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 -11.832 25.445 10.765 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 -11.592 24.885 10.025 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 -12.032 24.835 11.475 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 -11.724 -20.996 6.912 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 -11.764 -21.516 7.712 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 -11.224 -20.216 7.162 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 -6.627 -18.957 -11.556 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 -6.327 -19.527 -12.266 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 -7.577 -19.077 -11.546 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 -16.881 -23.968 22.102 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 -16.721 -24.778 21.622 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 -16.701 -23.268 21.472 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 -5.385 20.632 -23.273 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 -4.735 21.202 -22.853 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 -4.965 19.772 -23.313 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 -17.865 -12.762 7.693 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 -17.925 -11.832 7.913 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 -17.225 -13.112 8.313 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 -17.512 -19.103 5.771 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 -17.832 -18.483 5.121 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 -17.172 -19.833 5.261 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 24.268 -14.503 -9.561 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 24.648 -14.453 -10.431 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 23.628 -13.793 -9.531 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 -3.233 12.932 -9.553 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 -4.133 13.082 -9.243 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 -2.733 13.682 -9.223 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 5.298 0.266 8.930 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 4.468 0.656 8.660 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 5.958 0.746 8.440 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 -23.446 -7.567 -3.267 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 -24.356 -7.607 -2.997 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 -23.476 -7.707 -4.217 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -20.842 -17.319 -8.118 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -21.002 -17.669 -8.988 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -21.492 -17.759 -7.558 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 11.621 -21.520 -8.620 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 12.151 -22.310 -8.740 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 11.921 -20.930 -9.310 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 -14.682 25.294 19.925 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 -14.262 25.364 19.075 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 -13.972 25.104 20.535 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 -18.216 23.339 16.670 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 -18.466 22.559 16.180 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 -18.966 23.929 16.570 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 9.915 13.624 23.502 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 10.125 14.014 24.352 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 10.435 12.814 23.482 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 -21.349 -21.307 1.992 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 -20.539 -21.317 1.492 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 -21.089 -21.017 2.862 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 -16.752 15.295 18.407 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 -17.642 14.965 18.537 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 -16.652 15.975 19.067 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -4.242 18.516 12.962 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -3.792 18.666 13.792 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -4.232 19.366 12.522 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 -6.452 24.880 10.113 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 -6.542 24.790 11.063 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 -6.932 25.680 9.903 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 -19.474 22.911 19.437 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 -19.524 23.681 18.867 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 -18.784 23.121 20.067 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 -18.874 -19.869 -7.730 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 -18.224 -19.189 -7.540 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 -18.404 -20.699 -7.590 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 4.991 -7.589 16.542 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 4.891 -7.409 17.472 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 5.881 -7.919 16.442 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 13.411 20.481 14.381 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 13.541 21.361 14.721 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 12.631 20.151 14.821 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 -11.796 20.285 9.696 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 -11.636 21.175 10.006 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 -12.096 19.815 10.476 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -4.932 4.877 -9.828 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -5.702 4.357 -9.598 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -5.282 5.747 -10.048 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 21.983 -2.760 -13.467 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 21.123 -3.160 -13.347 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 22.343 -3.190 -14.247 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 -17.034 21.673 19.001 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 -17.794 21.633 19.581 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 -17.384 21.953 18.161 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 5.227 23.354 16.272 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 5.107 24.154 15.762 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 4.697 23.484 17.062 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 -13.576 -13.041 5.269 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 -14.356 -13.341 5.739 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 -12.836 -13.381 5.769 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 1.715 -16.355 6.047 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 1.305 -16.055 6.857 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 1.045 -16.225 5.377 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 4.832 -7.699 -22.607 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 4.572 -8.609 -22.457 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 5.022 -7.359 -21.727 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 19.886 10.987 15.208 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 19.856 11.347 16.098 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 20.546 10.287 15.258 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 16.633 24.292 14.580 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 17.373 23.702 14.740 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 17.003 25.172 14.680 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -12.953 9.526 -13.029 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -12.113 9.266 -13.429 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -12.903 9.186 -12.129 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 -8.229 -3.298 1.277 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 -7.939 -4.068 1.777 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 -9.179 -3.268 1.407 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 17.801 5.650 20.535 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 17.531 6.310 19.895 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 18.131 4.930 20.015 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 -19.714 25.366 0.303 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 -20.254 25.766 -0.387 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 -20.344 24.896 0.853 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -12.084 -9.243 13.511 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -11.274 -9.173 13.011 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -12.284 -8.343 13.771 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 22.983 20.957 -11.127 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 22.433 21.527 -10.587 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 23.463 21.557 -11.697 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 14.001 3.950 -20.541 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 14.011 3.430 -19.741 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 14.870 4.340 -20.581 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 -18.473 -8.894 -2.880 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 -18.483 -9.194 -3.790 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 -18.733 -9.674 -2.370 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 19.240 17.254 -22.850 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 18.840 16.944 -23.660 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 19.460 16.454 -22.370 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 -22.453 -22.086 -24.319 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 -22.903 -22.886 -24.049 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 -22.223 -22.236 -25.239 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 -13.706 3.179 -21.253 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 -14.486 2.819 -21.673 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 -13.136 2.429 -21.113 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 -3.353 12.261 -6.171 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 -3.803 11.441 -5.951 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 -2.433 12.081 -5.991 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 -14.128 -12.720 -18.039 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 -13.898 -13.360 -18.709 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 -15.078 -12.790 -17.959 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 17.143 -8.873 20.831 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 17.623 -9.503 20.291 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 16.913 -8.173 20.221 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -2.584 2.095 -7.397 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -2.284 1.565 -6.657 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -3.464 2.395 -7.147 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 -23.511 11.000 -13.790 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 -23.641 11.920 -13.990 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 -22.771 10.730 -14.330 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 -13.908 -9.352 -20.471 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 -13.108 -9.712 -20.841 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 -13.728 -9.272 -19.531 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -6.845 -4.391 22.953 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -5.905 -4.251 22.993 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -7.215 -3.661 23.453 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 1.542 23.846 11.032 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 1.332 23.146 11.652 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 2.032 23.406 10.332 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 17.811 17.325 24.768 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 16.931 17.575 24.498 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 18.321 18.125 24.718 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 25.061 4.371 0.430 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 25.681 4.461 -0.290 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 24.341 4.961 0.210 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 -16.388 24.064 -3.910 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 -17.178 23.524 -4.000 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 -15.848 23.604 -3.270 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 -18.731 22.008 -15.534 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 -19.331 22.498 -16.094 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 -18.861 22.388 -14.664 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 16.926 -1.081 24.414 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 16.516 -0.521 23.754 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 16.316 -1.091 25.144 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 15.955 -10.094 15.161 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 16.845 -10.284 14.851 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 15.845 -10.664 15.921 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 9.869 -23.822 -0.684 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 10.409 -24.602 -0.834 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 9.009 -24.162 -0.454 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -22.505 -6.898 3.390 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -23.435 -7.118 3.410 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -22.075 -7.598 3.870 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 20.449 -4.719 21.526 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 20.119 -4.199 22.256 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 19.679 -4.929 21.006 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 14.991 -13.448 -6.688 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 14.561 -13.248 -7.518 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 15.891 -13.668 -6.928 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 -21.421 6.586 -19.106 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 -22.291 6.436 -18.746 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 -21.271 7.526 -18.976 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 12.154 10.871 18.024 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 12.994 10.921 18.474 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 11.574 11.421 18.554 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 -12.032 -13.249 1.329 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 -11.662 -12.529 1.829 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 -12.172 -12.889 0.449 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 -22.658 7.976 5.736 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 -22.468 8.626 6.406 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 -22.188 8.286 4.966 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 14.192 -4.030 13.036 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 13.382 -4.200 12.556 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 14.702 -4.840 12.926 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 22.561 9.402 -24.321 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 23.081 9.692 -23.571 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 23.171 9.422 -25.051 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 2.324 -1.339 2.863 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 1.984 -0.869 3.623 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 3.234 -1.039 2.783 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 -7.235 -1.311 -18.213 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 -6.825 -0.631 -17.683 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 -6.535 -1.631 -18.783 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 21.722 24.201 -0.658 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 20.982 23.831 -0.178 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 22.432 24.231 -0.028 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -20.398 -13.718 19.727 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -20.228 -13.578 20.667 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -19.658 -14.248 19.437 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 14.598 -17.189 -21.071 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 13.908 -17.299 -20.421 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 14.448 -16.329 -21.451 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 18.736 -1.848 13.456 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 19.406 -2.528 13.326 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 19.246 -1.058 13.646 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 11.135 -2.706 12.637 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 10.505 -2.286 12.057 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 10.965 -2.326 13.497 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -2.494 -20.702 -12.297 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -3.404 -20.932 -12.107 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -2.414 -20.802 -13.247 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 12.518 -4.917 18.933 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 11.718 -4.877 18.403 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 13.028 -5.627 18.553 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 13.838 -0.657 -17.194 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 13.368 -0.677 -18.024 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 13.158 -0.687 -16.524 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -23.834 -20.039 -5.564 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -24.414 -20.329 -4.864 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -23.054 -20.589 -5.474 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -3.763 -3.599 19.910 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -4.153 -2.719 19.840 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -4.163 -3.979 20.690 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 -11.823 7.275 7.483 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 -12.683 7.095 7.093 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 -11.743 6.645 8.193 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 2.633 3.592 2.531 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 1.733 3.682 2.821 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 2.563 3.302 1.621 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 0.411 -13.328 -14.259 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 0.051 -12.688 -14.879 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 0.681 -14.068 -14.799 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 4.154 17.896 10.223 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 3.844 17.466 9.433 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 4.694 18.616 9.903 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 2.122 17.031 -9.111 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 2.262 17.361 -8.221 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 2.742 17.511 -9.651 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 -19.842 -3.578 21.809 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 -20.422 -3.207 22.479 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 -20.182 -3.238 20.979 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 -21.822 7.159 24.526 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 -21.102 6.879 25.096 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 -21.982 8.069 24.766 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 21.874 17.723 -18.299 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 21.294 18.343 -17.839 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 22.104 17.073 -17.629 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 14.457 16.290 21.238 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 14.807 17.180 21.348 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 14.527 15.900 22.118 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 -16.506 -23.889 -5.236 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 -16.476 -24.769 -4.856 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 -15.596 -23.669 -5.406 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 21.078 4.651 14.394 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 20.588 4.931 13.624 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 20.508 4.861 15.134 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 1.219 -16.989 -8.780 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 1.799 -17.569 -8.280 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 0.479 -17.549 -9.030 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 -8.247 23.743 18.475 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 -7.417 23.313 18.665 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 -8.167 24.053 17.575 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 -5.761 13.495 -9.595 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 -5.921 12.715 -9.065 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 -6.641 13.835 -9.795 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 2.461 -8.974 -11.114 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 2.961 -9.784 -11.104 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 3.041 -8.344 -11.544 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 7.341 5.701 -22.788 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 6.631 5.431 -22.208 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 6.921 6.241 -23.458 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 3.694 13.220 -21.340 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 3.704 13.740 -20.540 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 3.414 13.840 -22.020 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 -21.418 -23.642 -6.244 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 -21.058 -24.122 -6.984 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 -20.688 -23.582 -5.624 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 -21.702 14.996 -11.894 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 -21.302 15.786 -11.504 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 -22.282 14.666 -11.204 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 -20.568 20.494 -5.576 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 -21.018 21.084 -4.976 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 -21.018 19.654 -5.476 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 18.522 -19.719 11.334 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 18.912 -19.909 10.484 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 18.712 -18.799 11.494 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 21.445 -20.109 -15.081 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 21.975 -19.569 -15.661 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 22.085 -20.619 -14.581 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 -10.349 0.023 17.126 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 -10.519 0.353 18.016 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 -10.799 -0.817 17.096 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 7.178 1.875 7.747 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 7.628 2.685 7.977 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 7.318 1.775 6.807 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 5.478 -13.717 18.979 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 4.828 -14.227 18.489 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 5.608 -12.927 18.459 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 -17.934 5.664 1.786 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 -18.184 5.484 2.696 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 -17.804 4.794 1.396 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 2.975 6.054 -19.414 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 3.505 6.364 -20.144 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 2.105 5.954 -19.784 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -12.662 -12.561 -12.504 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -12.102 -12.971 -13.164 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -13.352 -13.201 -12.354 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 13.707 2.374 -18.381 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 13.667 2.754 -17.501 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 14.507 1.854 -18.381 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 8.736 -17.114 -1.567 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 9.226 -17.714 -1.007 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 7.826 -17.254 -1.337 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 15.477 8.348 -20.041 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 16.237 8.868 -20.301 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 14.757 8.718 -20.561 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 22.635 15.662 -15.384 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 21.885 15.122 -15.174 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 22.535 16.442 -14.834 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -5.721 -8.323 -1.479 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -6.311 -8.823 -0.909 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -5.631 -8.863 -2.259 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 13.855 -6.131 -20.322 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 13.995 -5.341 -20.842 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 14.035 -6.851 -20.932 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 -20.183 19.028 19.370 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 -20.333 18.588 18.530 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 -20.733 19.808 19.330 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 9.591 -9.296 -22.053 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 8.741 -9.716 -22.093 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 10.171 -9.946 -21.653 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 -24.397 11.497 8.648 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 -25.107 10.977 9.028 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 -24.017 10.917 7.988 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 -23.035 10.553 15.406 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 -23.205 11.483 15.536 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 -23.655 10.283 14.726 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 -1.533 3.842 -14.705 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 -1.593 4.792 -14.625 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 -0.823 3.592 -14.115 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 19.755 -20.660 -11.091 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 20.555 -21.130 -10.871 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 19.095 -21.020 -10.491 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 -2.817 18.185 15.346 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 -2.157 18.605 15.896 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 -3.207 17.515 15.906 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -0.209 -23.837 -17.963 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -0.689 -23.627 -18.763 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -0.249 -23.027 -17.443 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 -1.565 -15.801 -2.279 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 -0.655 -15.701 -2.589 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 -2.005 -16.271 -2.979 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 -21.649 -23.403 17.777 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 -21.859 -22.823 17.047 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 -22.389 -23.313 18.377 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 1.182 13.647 -24.834 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 1.892 13.077 -24.534 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 0.722 13.127 -25.494 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 -15.448 15.606 12.552 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 -14.608 15.486 12.112 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 -15.358 15.116 13.372 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -0.916 -13.406 -23.144 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -1.556 -12.696 -23.184 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -0.186 -13.106 -23.674 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 -9.647 18.081 9.954 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 -9.717 19.031 9.994 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 -10.517 17.781 9.684 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 -7.241 4.127 15.756 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 -6.801 4.567 16.486 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 -6.681 3.377 15.566 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 2.788 -11.443 11.242 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 3.058 -10.733 11.832 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 1.998 -11.803 11.652 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 23.545 6.955 21.355 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 24.435 6.845 21.045 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 23.615 6.935 22.315 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 -5.457 -14.899 14.464 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 -5.687 -14.969 15.384 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 -4.687 -14.319 14.454 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 3.752 -8.598 11.606 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 3.252 -8.768 12.396 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 4.462 -8.008 11.896 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -10.647 24.242 5.973 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -10.967 23.382 5.713 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -9.827 24.362 5.493 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 9.129 -10.891 6.889 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 9.779 -10.291 6.519 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 8.629 -11.191 6.129 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 -19.548 20.929 17.488 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 -19.018 20.549 18.178 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 -20.228 21.419 17.948 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 25.326 17.912 -8.224 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 24.386 17.772 -8.074 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 25.576 18.562 -7.564 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -11.923 12.572 -19.289 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -11.353 12.212 -18.599 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -12.703 12.852 -18.819 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 -1.173 2.298 0.379 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 -1.033 2.388 1.319 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 -0.293 2.268 0.009 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 -18.612 -4.481 -20.401 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 -18.102 -3.761 -20.761 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 -19.172 -4.081 -19.731 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 -7.192 19.107 -12.547 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 -6.532 19.107 -13.237 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 -6.862 18.487 -11.887 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 6.516 -2.030 14.186 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 5.626 -2.200 14.486 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 6.486 -2.180 13.246 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 13.957 -18.085 18.753 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 14.467 -18.045 19.563 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 13.107 -17.705 18.983 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 24.535 -8.313 -7.294 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 23.675 -8.143 -7.674 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 24.915 -8.993 -7.844 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 -17.527 16.948 -12.591 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 -18.077 17.728 -12.491 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 -16.727 17.168 -12.101 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 7.715 -14.490 -8.074 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 8.625 -14.730 -7.964 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 7.725 -13.530 -8.144 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 -14.013 11.282 10.114 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 -13.343 10.962 10.714 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 -14.233 10.532 9.574 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 9.517 -18.281 20.186 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 10.047 -17.481 20.206 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 8.897 -18.181 20.906 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 -25.235 -2.425 24.656 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 -24.465 -2.985 24.556 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 -25.425 -2.435 25.596 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 1.313 -1.994 14.630 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 1.903 -1.254 14.790 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 0.443 -1.614 14.730 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -15.843 15.318 9.457 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -16.583 15.838 9.757 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -15.233 15.958 9.077 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 -20.108 4.548 21.634 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 -20.258 4.938 20.774 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 -20.968 4.538 22.054 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 -22.652 18.707 22.690 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 -23.272 18.387 22.040 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 -22.282 17.927 23.080 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -2.307 8.007 -0.827 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -2.387 7.167 -1.287 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -1.527 7.917 -0.287 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 -12.301 0.374 -15.635 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 -12.011 -0.486 -15.955 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 -13.161 0.494 -16.035 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 -18.803 0.015 22.728 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 -19.563 -0.525 22.928 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 -19.133 0.665 22.108 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 -19.447 2.232 -11.624 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 -18.977 3.052 -11.454 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -20.077 2.452 -12.304 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -20.479 -14.093 -2.436 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -20.469 -14.213 -3.386 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -19.909 -14.793 -2.116 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -1.082 17.999 -0.977 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -0.132 18.119 -0.967 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -1.232 17.169 -0.527 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -0.584 -13.898 2.220 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -1.254 -13.218 2.260 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 0.246 -13.428 2.210 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 24.176 21.846 -6.536 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 23.466 21.306 -6.196 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 24.156 21.686 -7.486 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 17.946 20.052 -23.774 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 17.426 19.242 -23.724 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 18.536 20.002 -23.034 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 17.976 -16.089 19.935 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 18.676 -15.689 19.415 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 17.956 -16.999 19.635 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 5.485 23.645 -10.456 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 5.885 22.775 -10.496 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 5.525 23.885 -9.536 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 6.031 2.547 -16.523 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 6.851 3.037 -16.473 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 6.251 1.737 -16.983 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 -24.639 -18.544 1.703 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 -24.259 -17.694 1.923 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 -25.249 -18.724 2.433 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 -24.672 -22.130 2.194 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 -24.852 -21.270 2.574 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 -25.532 -22.490 2.014 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 -18.598 22.651 -4.540 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 -19.168 22.471 -3.800 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 -19.038 22.261 -5.290 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 7.016 -17.148 3.000 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 6.536 -17.548 3.720 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 7.106 -17.848 2.340 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 5.136 2.057 16.992 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 5.646 2.607 16.402 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 5.656 1.257 17.102 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 15.872 -21.349 2.360 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 15.572 -21.569 3.240 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 15.762 -20.399 2.300 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 14.166 -25.206 4.277 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 13.956 -24.336 3.927 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 15.026 -25.096 4.677 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -21.286 -19.884 22.339 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -21.866 -19.564 21.649 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -21.726 -19.654 23.149 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 16.126 10.654 -1.008 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 15.206 10.374 -1.018 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 16.246 11.034 -0.138 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 8.083 21.062 -4.368 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 8.113 21.092 -3.408 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 8.993 21.192 -4.638 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 5.354 -19.025 4.607 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 5.384 -19.985 4.607 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 4.574 -18.815 5.127 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 -11.603 -1.593 -4.717 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 -11.573 -2.393 -5.237 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 -12.533 -1.443 -4.557 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 -20.771 24.541 17.289 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 -20.801 25.401 16.849 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 -21.681 24.341 17.489 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 -5.108 -22.889 -23.007 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 -4.598 -23.059 -23.807 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 -5.268 -21.949 -23.027 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 14.262 -19.243 -22.551 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 14.372 -18.383 -22.141 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 14.852 -19.813 -22.061 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 -1.811 6.904 -9.307 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 -2.151 7.584 -9.877 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 -0.881 6.864 -9.517 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 15.906 20.103 -8.619 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 15.666 19.643 -7.819 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 15.526 20.973 -8.519 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 5.859 7.293 -24.895 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 6.049 7.983 -25.535 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 4.969 7.003 -25.105 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 20.897 1.567 21.493 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 21.217 1.637 22.393 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 20.007 1.927 21.533 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -7.421 19.528 -8.702 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -7.661 20.348 -9.132 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -8.241 19.198 -8.332 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 -4.342 11.340 -19.912 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 -3.532 11.060 -19.472 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 -4.632 10.560 -20.382 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 16.523 -16.953 9.623 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 16.973 -16.363 10.223 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 15.883 -17.423 10.173 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 6.977 -8.020 7.292 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 7.707 -7.530 7.662 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 6.797 -8.710 7.922 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 12.228 5.353 -7.561 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 11.438 4.873 -7.311 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 12.608 5.633 -6.721 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 17.580 -22.772 -21.115 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 18.191 -22.542 -20.405 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 16.840 -22.182 -21.005 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 17.277 -14.124 -10.152 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 18.007 -13.674 -9.712 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 17.597 -14.284 -11.042 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 -6.792 3.233 1.725 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 -7.732 3.353 1.635 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 -6.412 3.683 0.975 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 3.007 -21.304 -0.319 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 2.737 -21.204 0.601 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 3.867 -20.904 -0.369 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 7.362 0.379 16.999 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 7.762 0.779 17.779 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 7.072 -0.481 17.299 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -13.605 -24.887 -18.515 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -12.925 -24.257 -18.275 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -13.535 -25.567 -17.845 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 -6.784 -16.432 -9.722 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 -7.094 -16.762 -10.572 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 -7.404 -16.792 -9.092 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 3.966 -23.102 -6.667 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 4.256 -22.242 -6.947 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 4.156 -23.132 -5.727 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 -1.279 19.687 3.521 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 -0.739 19.937 2.781 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 -0.779 19.007 3.961 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 17.232 -22.994 -23.889 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 17.832 -22.384 -24.329 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 17.122 -22.634 -23.009 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 19.872 8.514 17.310 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 19.092 8.864 16.860 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 20.612 8.914 16.850 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 -14.087 0.091 16.575 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 -14.057 0.211 15.625 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 -13.357 0.601 16.905 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 -18.263 0.906 -8.072 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 -18.163 0.426 -7.252 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 -18.053 1.816 -7.852 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 21.348 -2.398 5.388 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 20.708 -2.958 4.948 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 20.998 -2.278 6.268 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 19.515 15.105 -20.390 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 19.085 14.285 -20.180 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 20.065 15.295 -19.620 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 12.659 -24.362 22.740 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 12.409 -25.212 22.370 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 13.529 -24.512 23.110 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 21.904 -16.713 3.298 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 21.444 -17.223 2.638 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 21.374 -15.923 3.398 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 17.913 -12.486 -23.781 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 17.183 -12.006 -24.171 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 18.243 -11.906 -23.091 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 23.335 11.111 11.296 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 23.815 10.751 12.036 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 22.715 11.731 11.686 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 18.273 -21.521 9.463 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 17.533 -20.941 9.283 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 18.113 -21.841 10.353 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 -9.223 -17.198 1.325 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 -8.873 -18.068 1.115 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 -9.863 -17.028 0.635 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 2.896 24.520 -16.758 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 2.676 25.130 -17.458 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 2.716 25.000 -15.948 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 16.902 8.644 -9.597 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 16.212 8.414 -10.217 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 16.832 7.984 -8.907 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 -23.827 -10.268 15.809 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 -23.037 -9.748 15.649 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 -24.327 -10.198 14.989 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 18.168 -1.391 5.493 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 17.438 -1.231 4.893 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 18.938 -1.111 5.013 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 -16.033 -24.645 -19.877 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 -15.283 -24.825 -19.307 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 -16.743 -24.455 -19.267 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 11.811 -22.582 -22.919 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 12.321 -23.072 -23.559 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 11.881 -21.672 -23.189 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 17.497 -0.796 -9.679 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 18.177 -0.856 -8.999 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 17.837 -0.156 -10.299 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 5.275 -17.008 -23.434 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 4.335 -16.978 -23.624 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 5.425 -17.878 -23.054 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 -17.864 -10.569 -16.842 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 -17.934 -11.279 -17.472 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 -16.934 -10.369 -16.792 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 3.542 -6.554 -20.369 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 3.182 -6.044 -21.099 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 2.952 -6.374 -19.639 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 25.143 -6.938 -24.209 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 24.253 -7.298 -24.189 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 25.183 -6.368 -23.449 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 -0.089 4.720 18.270 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 0.541 4.440 18.930 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 -0.339 3.900 17.830 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 2.546 24.080 -23.113 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 1.596 24.000 -23.193 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 2.876 23.220 -23.363 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 8.777 -24.619 14.966 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 8.097 -24.569 14.296 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 9.297 -23.819 14.846 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -5.298 1.689 21.456 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -4.608 2.329 21.646 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -5.608 1.939 20.586 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 22.433 24.075 6.493 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 22.653 23.315 5.953 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 21.883 24.625 5.933 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 22.763 10.233 21.513 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 22.323 9.403 21.643 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 22.693 10.683 22.363 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 -13.121 -8.088 4.947 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -12.801 -8.138 5.847 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -12.351 -7.828 4.437 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 3.742 -11.196 4.948 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 3.032 -10.646 5.268 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 3.842 -11.866 5.628 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 -3.762 7.606 14.388 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 -3.362 7.056 15.058 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 -3.102 7.686 13.698 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 -18.126 10.322 5.092 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 -18.096 9.792 4.302 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 -18.076 11.222 4.772 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 -17.646 13.512 4.156 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 -16.746 13.832 4.106 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 -18.186 14.272 3.926 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 1.063 2.509 -7.911 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 1.243 1.599 -7.681 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 0.113 2.559 -8.001 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 4.067 -3.333 14.414 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 3.217 -2.943 14.644 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 3.887 -4.273 14.364 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 2.126 18.982 18.063 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 2.286 19.622 18.753 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 2.446 19.402 17.263 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -18.208 8.359 24.840 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -17.318 8.069 24.630 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -18.128 9.309 24.940 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 20.308 17.195 15.942 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 21.058 16.695 15.622 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 20.088 17.785 15.212 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -9.673 14.540 -12.310 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -9.073 15.270 -12.460 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -9.113 13.810 -12.070 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 20.725 -5.205 -18.235 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 20.275 -6.045 -18.195 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 21.385 -5.325 -18.925 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 -16.589 19.842 -5.525 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 -15.659 19.872 -5.755 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 -16.689 20.532 -4.875 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 23.677 12.012 -0.622 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 23.967 11.112 -0.792 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 24.067 12.232 0.228 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -6.634 -15.183 -0.392 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -5.814 -15.653 -0.532 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -6.594 -14.893 0.518 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 -5.891 -0.004 -0.712 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 -6.691 0.496 -0.532 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 -6.201 -0.844 -1.052 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 0.023 20.707 1.200 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 0.523 21.457 0.880 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 -0.517 20.457 0.460 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 -20.471 11.932 5.406 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 -20.801 12.792 5.156 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 -20.061 11.592 4.606 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 8.994 15.422 13.884 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 9.644 15.733 14.514 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 8.264 16.042 13.974 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 -19.886 -5.398 -6.044 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 -20.486 -5.508 -5.314 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 -19.086 -5.838 -5.774 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -3.455 5.696 0.705 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -3.555 5.756 -0.245 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -4.245 5.226 0.985 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 -18.896 4.960 -11.099 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 -19.656 5.430 -10.739 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 -18.136 5.470 -10.819 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 22.483 14.314 21.633 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 21.703 14.864 21.643 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 22.213 13.524 21.163 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 3.075 -16.063 8.709 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 3.795 -16.693 8.639 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 2.385 -16.443 8.159 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 2.596 0.467 -13.251 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 2.306 1.377 -13.301 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 2.996 0.297 -14.101 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 -8.028 21.797 13.753 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 -7.928 21.247 14.533 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 -7.348 21.497 13.153 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 12.862 9.020 10.166 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 12.892 8.090 9.946 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 13.462 9.440 9.546 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 12.229 15.956 13.880 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 11.739 16.776 13.770 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 13.019 16.086 13.360 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 -23.847 -22.503 -1.103 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 -23.867 -22.463 -0.153 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 -24.747 -22.353 -1.373 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 -22.749 -23.554 22.176 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 -22.719 -24.354 21.656 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 -21.939 -23.084 21.946 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 5.636 1.499 -10.674 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 6.176 1.759 -9.924 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 4.906 1.009 -10.284 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 24.662 19.512 18.106 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 24.952 19.162 17.266 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 25.062 20.382 18.156 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 20.074 14.759 7.792 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 20.754 15.419 7.732 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 20.124 14.439 8.692 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 22.326 -17.984 -22.945 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 22.276 -17.764 -22.015 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 22.626 -18.894 -22.965 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 19.308 -13.779 -1.354 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 18.388 -13.779 -1.104 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 19.748 -13.319 -0.644 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 -22.848 -17.613 8.324 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 -21.948 -17.623 8.644 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 -23.158 -16.723 8.494 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 -10.769 2.536 -16.800 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 -10.909 1.786 -17.380 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 -10.939 2.186 -15.920 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 15.050 6.511 -2.937 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 15.360 7.411 -3.037 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 15.291 6.271 -2.047 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -20.545 -9.490 -9.701 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -20.975 -10.300 -9.981 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -19.735 -9.790 -9.281 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 -20.607 21.146 -10.138 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 -20.907 20.336 -9.738 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 -19.677 21.206 -9.898 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 -17.353 17.399 16.780 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 -17.163 16.739 17.460 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 -18.253 17.219 16.510 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 13.884 15.783 17.226 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 14.404 16.133 17.956 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 14.134 16.333 16.476 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 -4.889 -6.026 -0.239 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 -5.329 -6.796 -0.599 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 -5.449 -5.286 -0.469 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 -8.081 -12.703 23.069 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 -8.251 -13.263 23.819 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 -8.951 -12.463 22.749 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -12.746 18.562 -20.925 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -11.796 18.612 -21.025 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -13.006 19.422 -20.585 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 3.477 23.526 18.352 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 3.547 23.486 19.302 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 2.557 23.326 18.172 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -1.999 -11.546 -25.046 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -2.809 -11.286 -24.616 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -1.969 -11.026 -25.846 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 -6.527 8.171 -16.587 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 -5.617 8.411 -16.387 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 -6.627 8.331 -17.517 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 -23.927 21.490 18.919 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 -23.427 21.780 18.149 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 -23.267 21.060 19.469 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 18.195 -8.538 6.341 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 18.095 -9.478 6.161 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 18.005 -8.448 7.271 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 4.164 5.150 6.037 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 3.314 5.360 5.657 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 4.794 5.370 5.347 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 12.414 -24.111 16.973 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 13.044 -24.811 16.843 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 12.694 -23.411 16.393 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 15.125 -21.838 18.516 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 15.645 -22.488 18.036 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 14.265 -21.888 18.106 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 18.808 -24.368 14.926 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 19.608 -24.847 14.726 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 19.088 -23.637 15.466 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 -11.906 4.913 -23.638 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 -12.486 4.443 -23.038 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 -11.116 5.083 -23.128 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 12.726 -15.236 -16.431 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 13.666 -15.376 -16.431 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 12.566 -14.626 -17.151 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 18.203 -24.176 -17.221 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 17.513 -23.726 -17.711 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 17.743 -24.876 -16.751 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 -14.831 -5.448 2.289 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 -14.441 -6.218 1.899 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 -14.761 -5.598 3.239 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 -12.963 7.204 24.888 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 -12.273 7.224 24.228 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 -12.843 6.374 25.348 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 11.469 -11.137 -6.598 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 12.039 -10.387 -6.428 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 10.599 -10.757 -6.708 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 -23.014 19.151 -13.440 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 -23.964 19.171 -13.330 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 -22.744 20.061 -13.390 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 20.286 -20.300 7.497 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 19.556 -20.600 8.027 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 19.896 -19.690 6.877 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 19.498 21.837 -18.995 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 20.408 22.057 -19.175 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 18.998 22.517 -19.435 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 -19.656 15.531 17.797 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 -20.136 16.271 17.417 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 -20.226 14.771 17.647 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 -9.183 -13.469 8.164 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 -8.703 -13.129 7.404 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 -10.083 -13.149 8.044 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 -20.464 -0.810 14.555 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 -19.694 -1.330 14.355 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 -20.624 -0.300 13.765 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 1.429 -18.173 15.245 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 1.189 -17.673 16.015 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 0.669 -18.113 14.665 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 0.589 -18.453 -3.918 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 0.859 -18.503 -2.998 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 0.589 -17.513 -4.118 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 -9.685 23.413 8.996 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 -8.815 23.192 8.656 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 -10.115 23.852 8.266 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 19.577 -15.378 2.497 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 18.877 -15.808 2.997 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 19.787 -15.998 1.797 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 -16.895 15.127 21.429 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 -16.445 14.377 21.819 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 -16.355 15.357 20.669 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -10.662 7.781 -17.499 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -10.792 6.871 -17.219 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -10.092 7.711 -18.269 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 20.815 9.773 -9.669 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 20.635 8.853 -9.859 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 20.565 9.893 -8.759 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 19.208 1.282 -22.411 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 18.858 2.142 -22.161 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 19.718 1.452 -23.201 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -4.543 -19.885 -14.020 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -5.413 -20.185 -14.300 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -3.933 -20.335 -14.600 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 16.487 20.717 8.466 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 15.667 20.797 7.986 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 17.157 20.607 7.786 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 -17.616 -9.389 -9.734 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 -17.086 -9.869 -10.364 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 -17.916 -8.609 -10.204 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 14.111 -11.914 14.070 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 14.601 -11.124 14.300 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 13.261 -11.804 14.500 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 -17.097 -14.174 -15.978 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 -16.977 -13.644 -15.188 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 -17.867 -14.724 -15.788 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 13.028 -24.486 -10.212 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 13.638 -24.606 -9.482 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 12.268 -25.006 -9.972 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -6.127 5.840 -23.225 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -7.017 6.210 -23.225 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -5.587 6.510 -23.645 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 -8.883 -17.656 -15.210 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 -8.013 -17.326 -14.980 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 -9.393 -16.866 -15.400 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 22.202 -6.154 -20.812 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 22.652 -6.984 -20.672 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 21.712 -6.274 -21.622 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 -17.136 21.806 -12.221 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 -17.226 21.306 -13.031 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 -17.216 21.166 -11.521 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 -14.406 0.563 -13.114 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 -13.606 0.053 -13.214 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 -14.816 0.213 -12.324 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 4.549 -4.718 -0.454 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 4.129 -4.648 -1.314 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 4.969 -3.868 -0.324 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 -3.678 -19.360 -8.477 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 -4.178 -20.170 -8.417 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 -3.968 -18.950 -9.287 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 22.201 0.882 15.319 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 21.771 0.532 16.089 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 22.561 0.112 14.869 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 23.285 -13.365 -18.721 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 22.745 -13.275 -19.501 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 23.015 -12.635 -18.161 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -1.682 19.958 13.089 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -2.272 20.128 13.829 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -1.872 19.048 12.849 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 -12.647 -3.838 19.479 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 -13.377 -3.788 20.089 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 -12.477 -4.768 19.379 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 1.632 -15.058 20.928 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 0.942 -14.438 21.178 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 2.342 -14.508 20.608 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 13.736 -11.098 25.548 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 14.096 -10.288 25.188 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 13.756 -11.708 24.818 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 -24.582 14.083 13.969 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 -23.992 13.723 13.309 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 -25.432 13.673 13.779 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 22.330 18.055 -13.940 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 22.821 17.915 -13.130 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 22.801 18.765 -14.380 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 1.839 0.472 16.441 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 2.229 1.282 16.771 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 1.559 0.012 17.231 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -6.598 10.529 -11.327 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -6.438 11.449 -11.537 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -6.668 10.509 -10.377 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 -6.884 -15.208 -12.677 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 -7.634 -15.518 -13.177 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 -6.374 -15.988 -12.477 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 -23.825 -10.596 -7.785 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 -23.025 -10.346 -7.335 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 -24.455 -10.776 -7.085 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 -14.087 -4.688 15.410 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 -13.707 -4.748 16.280 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 -13.387 -4.328 14.860 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 -5.158 7.644 -10.949 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 -5.558 8.494 -11.119 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 -4.288 7.854 -10.589 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 15.905 23.102 19.020 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 15.485 23.612 18.320 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 16.495 23.722 19.440 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 6.594 -15.799 5.889 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 5.904 -16.249 5.389 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 7.184 -15.449 5.219 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 -17.783 -14.816 24.293 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 -17.263 -15.576 24.053 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 -18.503 -14.816 23.663 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -9.749 18.160 -13.418 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -9.209 18.870 -13.078 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 -9.219 17.750 -14.088 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 22.208 2.996 -21.370 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 22.968 2.456 -21.600 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 21.458 2.506 -21.700 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 -9.666 -3.469 -5.111 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 -8.766 -3.789 -5.221 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 -9.636 -2.569 -5.441 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 -10.291 4.402 16.153 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 -9.491 4.922 16.203 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 -9.991 3.502 16.193 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 16.345 0.465 -20.067 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 16.255 0.945 -20.887 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 15.455 0.205 -19.827 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 -23.047 11.771 -21.173 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 -23.597 11.861 -21.953 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 -23.617 11.381 -20.523 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 21.193 20.580 6.027 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 21.163 19.830 5.437 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 21.163 20.200 6.907 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -4.627 2.652 -18.968 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -4.447 2.802 -19.888 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -5.527 2.962 -18.838 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 19.816 -7.656 -0.027 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 19.206 -8.366 0.193 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 19.286 -7.036 -0.537 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 -15.844 -1.023 11.159 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 -16.444 -0.403 11.589 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 -14.974 -0.753 11.439 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 8.811 -0.441 1.023 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 9.041 -0.391 1.953 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 8.191 0.279 0.883 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 -3.913 20.211 20.346 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 -4.063 20.021 19.416 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 -3.203 19.621 20.606 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 19.816 -17.698 0.664 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 19.976 -18.078 -0.206 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 20.246 -18.308 1.264 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 16.909 -23.733 -3.211 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 17.529 -23.683 -3.931 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 16.159 -23.233 -3.501 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 -13.613 -4.039 8.371 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 -13.153 -4.849 8.591 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 -12.913 -3.379 8.321 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 -6.736 -16.060 10.417 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 -7.646 -15.830 10.597 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 -6.466 -16.580 11.177 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -10.779 9.023 -1.912 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -10.869 9.543 -1.112 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -10.489 8.163 -1.612 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 4.381 2.609 4.312 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 4.371 3.409 4.842 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 3.681 2.729 3.672 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 -17.987 24.902 2.598 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 -18.527 25.182 1.858 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 -18.617 24.742 3.298 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 -0.836 23.158 21.837 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 -1.056 23.038 20.917 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 -1.006 24.088 21.997 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 -7.528 20.122 16.061 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 -7.098 19.272 16.031 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 -8.218 20.042 16.711 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 -12.519 -6.905 1.060 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 -12.079 -6.295 0.470 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 -12.499 -7.745 0.600 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -10.682 25.292 23.656 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -10.172 24.952 22.916 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -11.592 25.102 23.416 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 -23.826 3.646 -17.456 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 -23.626 3.816 -18.376 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 -24.766 3.446 -17.446 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 25.226 9.597 -6.641 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 25.806 9.857 -5.931 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 24.766 10.397 -6.891 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 19.953 22.957 -3.477 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 20.023 22.057 -3.177 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 20.643 23.427 -2.997 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 20.816 -22.743 0.871 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 20.206 -22.313 1.471 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 21.146 -22.033 0.321 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 -4.165 8.380 -14.839 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 -4.475 7.480 -14.729 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 -3.265 8.370 -14.529 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 -19.361 14.285 -0.204 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 -18.981 13.655 0.406 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 -19.661 13.755 -0.944 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 19.419 -24.218 9.266 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 20.349 -24.218 9.036 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 19.089 -23.388 8.936 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 9.759 -14.735 -10.834 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 8.979 -15.275 -10.924 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 10.419 -15.325 -10.484 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 9.229 12.534 -14.325 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 8.649 12.734 -15.065 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 9.969 12.064 -14.725 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 13.817 18.349 6.639 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 14.397 19.109 6.629 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 14.347 17.649 7.019 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -20.168 14.286 22.159 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -20.338 15.176 21.859 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -19.228 14.286 22.379 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 8.019 4.909 14.732 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 8.159 5.579 15.402 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 8.079 4.079 15.212 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -4.601 -1.059 21.990 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -3.761 -0.669 21.710 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -5.201 -0.319 22.010 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 -24.776 3.822 -2.719 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 -24.076 4.462 -2.629 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 -24.406 3.142 -3.289 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 -0.213 18.272 24.123 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 -0.053 18.992 23.513 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 0.007 18.632 24.983 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 -25.012 -12.702 18.019 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 -25.352 -12.582 18.909 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 -24.662 -11.842 17.779 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 -10.425 -21.606 11.156 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 -9.645 -21.136 10.846 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 -10.525 -21.336 12.066 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 -17.837 -2.884 -3.882 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 -18.067 -3.804 -4.012 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 -17.607 -2.574 -4.752 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 24.461 12.931 -23.222 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 24.111 12.611 -22.392 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 24.391 13.891 -23.162 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 16.289 -20.380 8.103 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 16.189 -20.220 7.163 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 15.409 -20.320 8.453 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 -22.225 22.035 -12.047 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 -21.695 21.375 -11.607 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 -22.715 22.455 -11.347 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 12.181 -16.784 -11.321 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 12.680 -17.054 -10.551 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 12.650 -16.014 -11.651 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 -11.227 -11.457 16.584 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 -11.797 -11.577 15.824 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 -10.727 -10.657 16.384 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 -11.194 18.900 -3.027 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 -11.454 18.280 -3.707 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 -11.144 18.370 -2.227 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 10.196 -14.669 8.796 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 9.446 -14.779 8.226 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 10.036 -13.839 9.246 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 -1.317 -17.480 -16.257 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 -1.197 -17.230 -15.347 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 -0.867 -16.790 -16.757 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 -7.603 -11.929 3.243 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 -7.143 -12.629 2.773 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 -8.473 -11.909 2.833 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 -13.981 5.159 -8.594 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 -14.341 4.279 -8.674 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 -13.381 5.239 -9.344 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 -11.758 -2.658 -16.529 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 -12.678 -2.398 -16.429 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 -11.558 -2.468 -17.439 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 18.927 -18.191 -6.994 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 19.687 -17.641 -6.824 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 18.357 -17.641 -7.534 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 7.798 2.169 0.849 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 8.508 2.459 0.279 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 7.068 2.759 0.649 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 4.282 0.377 5.933 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 3.692 0.227 6.673 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 4.132 1.287 5.683 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 5.990 -11.528 -13.221 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 6.480 -11.908 -12.491 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 6.230 -12.058 -13.981 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 -25.088 10.712 3.711 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 -24.838 10.442 4.591 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 -24.268 10.852 3.251 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 0.726 -3.810 -2.130 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 0.326 -3.010 -2.460 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 0.136 -4.510 -2.410 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 -9.774 -5.152 -14.378 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 -9.224 -5.932 -14.328 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 -9.784 -4.922 -15.298 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 11.749 -16.050 11.044 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 11.039 -15.720 10.494 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 12.469 -15.430 10.894 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 9.338 -22.782 21.120 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 10.008 -22.962 20.450 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 9.228 -21.832 21.100 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 -0.909 17.957 -14.579 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 -1.049 18.097 -13.639 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 -0.869 17.007 -14.679 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 22.193 16.820 19.487 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 22.203 16.210 20.227 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 22.883 17.450 19.687 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 -19.102 -7.928 24.689 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 -18.742 -7.697 25.549 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 -18.332 -8.127 24.159 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 -17.362 -7.618 22.103 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 -17.212 -6.668 22.203 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 -17.302 -7.778 21.163 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 16.176 19.132 22.154 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 16.376 19.712 22.874 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 15.436 19.552 21.694 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 -4.792 24.407 -18.635 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 -4.552 25.127 -19.215 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 -4.652 24.747 -17.755 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -10.561 -0.510 -23.641 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -11.391 -0.760 -24.061 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -10.811 0.150 -23.001 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 23.197 13.095 7.935 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 23.987 13.025 8.475 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 22.557 13.495 8.515 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 13.108 -8.137 -17.924 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 12.828 -7.907 -18.814 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 14.038 -7.927 -17.904 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 -5.436 10.248 23.311 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 -5.606 11.188 23.361 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 -5.776 9.978 22.461 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 -2.004 0.238 7.213 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 -2.674 -0.372 6.923 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 -2.064 0.978 6.603 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 13.179 13.994 9.258 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 13.289 13.494 10.068 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 12.999 13.334 8.588 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 21.682 2.571 17.636 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 21.932 2.051 18.396 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 22.192 2.191 16.916 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 -14.989 -17.192 16.228 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 -14.539 -16.992 15.408 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 -15.289 -18.102 16.118 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 0.465 -15.342 -12.213 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -0.005 -16.032 -12.703 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 0.635 -14.672 -12.873 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 -13.843 -2.449 -0.381 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 -13.563 -1.549 -0.231 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 -14.643 -2.369 -0.901 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 10.581 -22.114 14.642 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 10.411 -21.404 14.032 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 10.751 -21.684 15.482 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 -17.327 -19.718 9.955 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 -16.597 -20.298 9.725 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 -17.907 -20.258 10.485 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -20.125 -19.285 -5.316 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -19.525 -19.595 -5.996 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -19.975 -19.865 -4.576 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 13.856 -15.308 -12.878 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 13.786 -14.378 -12.688 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 13.386 -15.418 -13.708 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 23.128 8.963 0.175 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 23.408 8.533 -0.635 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 23.758 8.663 0.835 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 -14.567 -3.983 -4.377 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 -13.797 -3.783 -4.917 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 -14.217 -4.373 -3.587 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 -5.991 2.607 -8.575 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -5.421 1.847 -8.455 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 -6.871 2.237 -8.665 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 14.249 22.722 15.657 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 14.699 23.412 15.167 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 14.949 22.232 16.077 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 -13.554 13.441 12.903 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 -13.404 12.851 12.173 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 -12.684 13.651 13.223 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 21.757 -13.350 19.876 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 22.627 -13.450 20.256 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 21.297 -12.760 20.466 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 -12.640 12.005 21.022 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 -12.889 11.175 20.622 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 -12.100 11.755 21.762 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 -2.035 15.169 -0.839 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 -2.155 14.229 -0.709 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 -2.915 15.509 -0.959 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 20.898 17.702 -6.433 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 20.388 16.972 -6.783 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 21.808 17.392 -6.463 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -7.162 3.439 -20.492 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -6.922 3.689 -21.382 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -7.812 2.749 -20.602 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 -20.252 -11.651 2.820 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 -20.802 -11.381 3.560 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 -20.642 -11.211 2.070 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 15.374 5.796 3.646 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 14.814 6.496 3.296 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 16.004 6.256 4.206 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 11.649 11.458 23.484 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 11.649 10.598 23.894 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 12.579 11.648 23.334 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 18.932 23.978 6.647 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 19.242 23.228 6.127 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 19.642 24.618 6.577 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 16.728 -13.596 -0.464 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 15.998 -14.196 -0.404 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 16.428 -12.906 -1.054 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 -6.977 -5.642 -12.433 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 -7.447 -4.872 -12.763 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 -6.577 -6.032 -13.213 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 6.083 0.183 -18.024 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 6.553 -0.037 -18.834 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 5.983 -0.657 -17.574 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 21.919 -19.873 -19.995 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 21.089 -19.423 -20.115 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 21.679 -20.723 -19.615 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -10.394 21.812 11.936 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -9.434 21.862 11.976 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -10.654 21.522 12.806 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 8.311 2.744 23.296 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 8.031 3.244 22.526 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 7.681 2.974 23.976 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 -13.244 4.276 23.552 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 -13.934 4.936 23.482 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 -13.614 3.606 24.132 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 -23.596 -11.388 -18.457 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 -22.856 -11.918 -18.747 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 -24.286 -11.578 -19.087 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 17.214 -17.079 0.955 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 17.874 -17.709 0.685 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 17.044 -16.549 0.175 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 -10.862 -9.484 23.758 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 -10.382 -10.244 23.428 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 -10.602 -9.434 24.678 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 -7.458 -13.598 -19.233 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 -7.818 -13.938 -18.413 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 -8.218 -13.288 -19.723 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 8.398 -10.540 -6.752 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 8.068 -9.690 -7.012 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 7.728 -10.900 -6.172 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 1.338 1.832 -16.136 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 1.058 2.142 -16.996 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 0.618 1.272 -15.836 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 6.793 15.069 22.489 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 7.643 14.659 22.639 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 6.413 15.159 23.359 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 -14.862 -16.474 11.379 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 -14.392 -17.184 11.809 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 -14.212 -16.094 10.779 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 -24.772 -8.900 -15.966 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 -24.122 -9.510 -16.306 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 -24.842 -9.120 -15.036 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 23.577 -20.618 -12.661 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 23.187 -20.558 -13.531 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 24.457 -20.968 -12.821 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 -13.938 19.944 -17.817 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 -13.188 19.974 -18.397 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 -13.568 19.824 -16.947 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 -9.207 -6.746 -3.094 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 -8.407 -6.376 -3.474 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 -9.157 -6.506 -2.164 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 -18.658 21.654 -1.121 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 -19.028 20.774 -1.061 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 -17.718 21.504 -1.231 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 24.988 10.755 -16.892 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 25.818 10.915 -17.332 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 24.928 11.435 -16.222 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 -3.282 -3.124 -3.891 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 -3.142 -3.774 -3.201 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 -3.562 -3.644 -4.651 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 -16.872 -11.783 23.755 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 -17.502 -12.233 23.195 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 -16.162 -12.413 23.885 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 6.786 -4.985 -15.356 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 6.556 -4.305 -15.996 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 7.746 -5.005 -15.376 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 5.153 -18.261 20.297 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 6.023 -18.661 20.417 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 5.253 -17.371 20.617 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 -21.036 -16.846 -20.150 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 -20.236 -17.326 -19.970 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 -21.736 -17.396 -19.800 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 -12.653 -19.513 21.009 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 -12.053 -19.983 21.589 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 -12.723 -18.643 21.389 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 22.671 -1.355 23.584 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 21.951 -1.405 24.214 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 23.450 -1.615 24.074 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 13.620 -0.541 17.670 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 14.240 -1.231 17.910 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 12.761 -0.961 17.730 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 -13.119 15.294 -4.768 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 -13.409 16.164 -5.058 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 -13.739 14.684 -5.168 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 -8.971 1.856 -24.936 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 -9.041 0.966 -24.576 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 -8.031 2.036 -24.926 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 8.189 21.414 9.889 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 8.729 20.964 10.539 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 8.379 22.344 10.029 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -16.183 -19.810 -9.614 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -17.123 -19.870 -9.764 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -16.003 -20.480 -8.954 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 7.193 4.299 -9.304 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 6.873 3.629 -8.694 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 8.073 3.999 -9.554 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 -13.612 -12.529 -4.614 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 -13.282 -11.729 -4.204 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 -14.452 -12.289 -4.984 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 14.324 -20.733 21.240 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 14.614 -21.533 20.790 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 13.374 -20.713 21.090 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 3.793 14.541 -18.573 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 2.913 14.881 -18.733 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 4.353 15.311 -18.533 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -14.029 8.608 9.221 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -13.279 8.098 8.911 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -14.749 7.978 9.271 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 -14.723 20.273 -14.625 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 -14.493 19.913 -13.765 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 -14.913 19.503 -15.165 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 18.776 12.044 -14.600 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 19.296 11.484 -14.020 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 18.236 11.434 -15.100 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 13.273 -0.524 -11.208 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 13.823 -0.934 -11.878 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 13.153 0.376 -11.518 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 1.474 9.934 17.289 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 1.174 10.764 17.669 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 0.794 9.704 16.649 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 12.368 -24.465 -2.874 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 13.278 -24.735 -2.754 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 11.858 -25.075 -2.334 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -15.755 -13.679 -23.778 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -16.385 -13.039 -23.448 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -15.905 -13.699 -24.728 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 2.927 18.066 22.803 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 3.067 17.556 22.013 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 2.107 18.536 22.643 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 4.314 -15.058 1.666 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 4.184 -15.868 1.176 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 4.884 -14.528 1.106 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 12.395 16.155 3.150 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 11.815 16.175 2.390 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 13.085 16.785 2.950 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -19.991 -0.234 -9.991 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -19.721 -0.104 -9.081 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -19.671 0.536 -10.451 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 10.065 0.873 -1.020 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 9.855 0.073 -0.540 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 10.445 0.573 -1.840 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 16.179 16.091 11.320 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 16.369 17.011 11.120 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 15.249 15.991 11.110 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 21.135 -10.102 6.074 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 20.645 -10.922 5.994 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 20.525 -9.492 6.484 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 8.314 18.289 -18.006 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 8.154 19.219 -18.146 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 9.184 18.239 -17.616 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 -23.133 24.666 20.516 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 -23.563 23.866 20.786 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 -23.403 24.796 19.606 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 21.459 1.007 -17.973 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 21.329 0.247 -17.403 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 20.629 1.477 -17.933 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 23.794 -3.098 -5.342 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 24.374 -3.028 -4.592 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 23.764 -4.038 -5.542 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 13.456 5.806 -5.029 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 14.106 6.196 -4.439 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 12.756 5.526 -4.449 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 6.944 18.333 18.746 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 7.234 17.573 19.256 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 6.834 18.003 17.856 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 23.381 7.744 -9.960 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 22.590 7.724 -10.500 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 23.861 6.954 -10.200 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 -15.465 -22.949 13.516 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 -15.165 -23.819 13.266 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 -14.985 -22.349 12.946 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 21.565 -23.090 24.535 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 21.995 -23.130 23.675 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 20.645 -23.290 24.345 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 -10.948 -12.963 -24.587 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 -10.768 -12.083 -24.907 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 -11.268 -12.823 -23.687 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 -9.574 22.260 -25.191 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 -8.664 22.020 -25.041 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 -9.634 23.160 -24.861 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 18.916 6.151 -14.674 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 19.286 5.271 -14.784 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 19.116 6.381 -13.764 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 11.136 19.195 5.807 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 11.676 18.445 6.047 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 10.256 18.975 6.107 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 -14.186 16.502 -9.798 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 -13.556 16.462 -10.508 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 -14.796 15.782 -9.968 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -23.268 8.037 0.019 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -23.388 7.717 -0.871 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -23.808 7.467 0.559 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 -10.809 -19.536 -22.904 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 -11.599 -19.896 -23.294 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 -11.109 -19.146 -22.074 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -9.249 10.751 -13.086 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -8.499 10.211 -13.336 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -9.349 11.371 -13.806 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -8.169 6.319 0.932 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -7.739 6.139 0.092 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -8.439 5.459 1.252 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 11.005 -7.476 -20.384 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 10.445 -7.846 -21.064 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 11.355 -6.676 -20.764 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 23.804 15.374 9.763 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 24.354 15.944 9.233 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 23.054 15.924 10.013 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 -15.581 -13.418 16.766 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 -16.241 -13.978 17.176 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 -15.851 -13.358 15.846 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 -23.738 -13.065 22.290 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 -23.388 -12.855 23.160 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 -23.468 -12.335 21.740 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 6.588 -13.102 -22.134 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 6.788 -13.592 -22.934 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 7.128 -13.512 -21.464 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 1.793 -13.639 7.686 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 2.603 -14.099 7.456 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 2.083 -12.799 8.036 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 6.266 14.848 12.340 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 7.036 14.548 12.830 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 6.016 15.668 12.750 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 14.646 1.327 19.121 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 14.436 0.857 18.321 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 15.596 1.267 19.191 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 -14.088 -15.419 -4.315 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 -13.908 -14.519 -4.035 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 -15.008 -15.419 -4.555 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 20.542 -15.419 22.159 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 21.182 -14.709 22.109 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 20.402 -15.679 21.249 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 4.514 -23.168 20.135 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 4.704 -23.128 19.195 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 5.374 -23.278 20.535 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 4.226 -14.533 -7.706 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 5.126 -14.343 -7.966 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 3.786 -14.793 -8.516 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 6.358 -22.478 -19.834 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 6.338 -23.068 -20.584 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 7.188 -22.658 -19.404 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 -2.095 4.217 -10.315 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 -1.655 5.057 -10.215 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 -3.035 4.437 -10.295 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 -7.813 -20.571 7.943 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 -8.633 -20.761 7.483 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 -8.073 -19.981 8.653 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 21.926 8.238 -5.294 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 22.666 8.228 -5.904 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 21.966 9.108 -4.894 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 -15.838 12.688 8.879 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 -15.018 12.238 9.099 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 -15.748 13.548 9.289 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 -4.916 -23.823 14.774 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 -5.256 -22.933 14.764 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 -4.656 -24.003 13.874 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 -14.362 9.377 15.511 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 -13.872 9.507 14.701 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 -14.802 8.537 15.391 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 -7.478 22.327 -6.462 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 -7.588 22.727 -7.332 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 -6.618 22.617 -6.172 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 24.411 -1.386 15.030 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 23.771 -2.096 15.060 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 24.921 -1.496 15.840 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 5.171 -20.614 -17.503 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 4.961 -20.964 -18.363 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 4.451 -20.924 -16.943 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 -25.226 -5.519 -10.543 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 -24.706 -4.889 -10.043 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 -24.596 -6.149 -10.873 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -22.119 -5.285 -3.917 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -22.279 -4.535 -3.347 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -22.439 -6.045 -3.427 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -18.176 24.682 -14.051 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -17.316 25.072 -14.221 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -18.086 24.272 -13.191 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 -22.771 -18.738 -11.412 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 -23.121 -18.738 -12.302 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 -22.431 -19.628 -11.292 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 -4.501 -17.853 -19.914 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 -3.901 -18.083 -20.614 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 -4.111 -17.083 -19.504 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 9.372 20.037 21.976 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 9.682 19.817 21.096 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 8.562 20.517 21.826 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 -5.358 9.135 -2.908 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 -5.528 8.825 -2.018 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 -6.048 8.735 -3.438 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 -20.506 -16.937 18.687 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 -20.106 -16.957 17.817 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 -21.186 -17.597 18.657 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 13.434 -9.953 9.935 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 13.344 -9.073 9.575 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 12.654 -10.073 10.485 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -7.236 23.420 7.666 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -6.896 23.930 8.406 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -6.596 22.720 7.546 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 -19.942 -23.482 22.092 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 -19.032 -23.392 22.362 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 -19.922 -24.092 21.352 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 6.248 -23.470 0.836 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 5.708 -24.010 0.266 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 5.698 -23.290 1.596 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 21.133 18.679 -0.692 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 20.513 18.349 -1.342 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 21.683 17.929 -0.482 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 21.307 -0.542 0.460 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 20.647 -0.432 1.150 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 22.127 -0.272 0.880 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 -8.661 -17.080 22.167 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 -8.881 -16.870 21.257 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 -9.431 -16.800 22.667 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 -18.534 -17.170 1.668 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 -18.344 -16.450 2.268 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 -17.764 -17.210 1.098 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 14.158 18.439 -18.471 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 14.018 17.879 -19.241 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 13.348 18.939 -18.391 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 0.952 -14.556 -1.959 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 1.692 -14.596 -2.559 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 0.862 -13.636 -1.739 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 17.844 19.065 -10.592 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 17.134 19.205 -9.962 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 17.924 19.905 -11.052 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 14.278 17.701 -9.996 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 15.038 18.291 -9.996 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 14.138 17.501 -10.916 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 21.243 4.446 -16.941 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 20.383 4.236 -17.311 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 21.233 4.076 -16.061 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 -7.845 13.180 -24.264 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 -8.655 13.210 -23.754 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 -7.155 13.010 -23.624 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 -4.661 24.386 -24.622 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 -4.351 25.136 -25.142 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 -3.941 23.766 -24.642 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 9.121 -1.835 5.127 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 9.811 -1.995 5.777 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 8.901 -0.915 5.237 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 6.748 -20.748 -11.357 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 6.228 -21.438 -10.937 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 7.408 -20.508 -10.697 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 19.911 21.423 -5.844 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 20.041 20.663 -5.274 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 19.311 21.983 -5.354 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -0.249 -11.839 -2.118 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -0.609 -10.969 -1.978 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -0.999 -12.379 -2.368 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 24.565 -15.839 2.106 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 24.725 -16.429 1.366 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 23.885 -16.269 2.626 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 12.426 11.757 -22.805 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 11.856 11.327 -23.435 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 12.576 12.627 -23.175 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 0.715 -15.033 16.073 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 -0.185 -14.983 16.413 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 1.165 -14.293 16.493 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 4.873 6.739 21.023 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 4.713 7.229 20.223 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 4.693 5.829 20.793 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 -12.216 10.081 -23.840 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 -11.586 9.361 -23.880 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 -12.796 9.851 -23.110 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -4.609 8.955 -6.187 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -3.819 9.005 -6.717 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -4.389 9.435 -5.387 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 -4.704 20.570 23.611 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 -5.044 19.920 23.001 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 -4.094 20.080 24.161 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 0.877 6.342 -3.890 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 1.017 5.412 -3.720 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 1.017 6.432 -4.840 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 5.118 -21.658 -22.474 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 5.278 -21.858 -21.554 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 4.388 -22.218 -22.714 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 -21.585 -6.068 7.242 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 -22.085 -5.428 7.752 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 -21.395 -6.778 7.852 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 1.198 13.230 12.253 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 0.848 13.680 11.493 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 2.038 12.880 11.953 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 18.475 -14.290 -20.057 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 19.015 -14.880 -20.597 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 18.195 -13.600 -20.667 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -22.826 -4.461 -18.274 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -22.626 -4.911 -19.094 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -22.926 -5.171 -17.634 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 22.491 -16.601 -20.567 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 23.421 -16.581 -20.347 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 22.061 -16.811 -19.737 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 6.518 20.562 5.190 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 6.768 20.242 4.320 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 7.348 20.712 5.640 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 1.785 -0.828 -3.684 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 1.135 -1.438 -4.034 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 1.345 0.022 -3.694 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 -2.572 9.189 -11.175 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 -2.602 9.799 -10.435 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 -2.462 9.749 -11.945 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 -15.193 14.773 6.743 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 -14.463 14.153 6.763 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 -15.673 14.593 7.553 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 -12.084 -7.442 10.307 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 -12.244 -7.522 11.247 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 -11.734 -6.562 10.197 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -21.242 5.571 14.128 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -21.532 6.461 14.328 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -20.822 5.271 14.928 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 -21.509 23.239 14.535 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 -20.939 23.369 15.285 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 -21.039 22.609 13.985 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 -24.703 23.502 4.060 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 -24.363 23.582 4.950 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 -25.553 23.082 4.160 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 24.731 22.863 20.204 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 25.331 22.133 20.014 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 24.180 22.933 19.424 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 -5.181 5.682 -15.768 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 -4.561 5.612 -16.498 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 -5.971 5.242 -16.078 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 11.212 24.722 0.909 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 10.312 24.532 0.639 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 11.542 23.882 1.229 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -22.189 11.710 -2.084 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -21.689 11.690 -2.904 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -22.369 12.640 -1.934 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 6.415 -2.148 17.749 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 5.745 -1.618 18.199 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 6.235 -3.048 18.019 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 -0.494 -18.606 10.632 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 -1.024 -19.396 10.662 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 0.406 -18.906 10.792 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 6.789 5.866 -2.932 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 7.419 6.566 -3.102 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 7.219 5.076 -3.242 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 -13.620 -9.666 -17.641 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 -14.540 -9.406 -17.681 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 -13.639 -10.626 -17.691 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -1.797 5.992 13.929 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -2.387 5.372 14.349 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -1.427 5.512 13.189 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 21.757 -22.080 -6.537 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 22.287 -21.320 -6.767 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 21.107 -21.750 -5.917 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 -11.224 21.903 -2.828 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 -11.094 20.953 -2.928 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 -10.454 22.193 -2.348 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 18.894 -22.901 -5.521 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 19.564 -23.481 -5.901 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 19.054 -22.051 -5.931 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 -10.107 15.697 -4.884 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 -9.837 15.257 -4.074 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 -11.017 15.427 -5.004 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -18.649 8.445 19.464 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -19.099 7.725 19.894 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -17.919 8.655 20.054 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -13.846 -24.853 16.632 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -13.346 -24.153 17.072 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -13.266 -25.173 15.952 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 -24.693 1.913 15.757 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 -24.073 2.623 15.587 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 -24.463 1.233 15.127 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 10.339 11.467 6.909 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 11.279 11.647 6.939 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 10.089 11.637 5.999 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -17.236 -18.401 -15.191 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -17.316 -17.941 -14.361 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -17.956 -19.041 -15.181 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -13.742 -14.476 -8.542 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -14.192 -15.116 -9.092 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -14.352 -13.746 -8.462 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 -11.175 6.022 9.709 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 -10.715 5.202 9.909 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 -10.495 6.692 9.759 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 2.614 -23.242 -14.600 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 3.504 -23.502 -14.850 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 2.604 -23.322 -13.650 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 15.202 -18.807 2.616 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 15.472 -17.897 2.536 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 14.252 -18.787 2.506 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 -18.128 19.962 -10.058 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 -18.048 20.032 -9.108 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 -18.608 19.152 -10.198 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 -8.852 25.282 20.877 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 -8.582 24.502 21.367 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 -8.542 25.122 19.987 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 -17.335 -24.686 24.823 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -17.695 -25.566 24.773 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 -17.085 -24.476 23.923 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 -15.822 10.909 -18.960 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 -16.072 10.219 -18.350 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 -16.222 11.699 -18.600 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 24.187 19.958 -14.615 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 24.927 20.128 -15.195 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 23.767 20.808 -14.515 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 2.398 -19.254 19.841 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 1.968 -18.734 19.151 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 3.178 -18.744 20.061 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -12.168 0.831 -21.810 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -12.208 0.041 -21.280 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -12.798 0.671 -22.520 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 20.698 12.613 23.397 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 20.388 12.173 24.197 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 19.968 12.523 22.787 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 20.153 8.574 4.711 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 20.463 8.044 5.441 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 19.933 7.934 4.031 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 12.532 21.669 -19.222 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 12.822 22.329 -19.852 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 13.052 21.839 -18.432 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 21.929 -16.467 19.750 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 22.669 -16.987 19.430 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 22.189 -15.557 19.600 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 20.118 6.052 18.708 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 19.928 6.772 18.108 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 20.808 5.552 18.268 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 -6.505 -15.003 22.485 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 -6.965 -15.783 22.795 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 -7.175 -14.323 22.445 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 22.338 -11.166 -22.021 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 22.198 -12.106 -22.031 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 21.458 -10.796 -21.871 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -11.235 11.262 13.957 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -11.005 10.812 14.767 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -12.065 11.712 14.157 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -2.668 1.950 9.094 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -2.148 1.250 8.714 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -3.368 1.500 9.574 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 6.923 -1.909 -0.704 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 7.153 -1.959 -1.634 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 7.623 -1.399 -0.304 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 -9.701 -10.064 -24.161 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 -8.851 -10.464 -23.951 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 -10.091 -9.864 -23.311 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -17.072 -22.204 10.661 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -17.292 -23.104 10.901 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -16.802 -22.254 9.741 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 -1.815 21.752 -23.100 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 -1.665 22.302 -23.870 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 -1.595 22.312 -22.360 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 -1.886 -10.177 21.450 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 -1.306 -10.217 20.690 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 -2.756 -10.397 21.100 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 -4.535 -18.621 -6.054 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 -4.285 -19.011 -6.884 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 -5.495 -18.621 -6.074 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 5.092 23.285 22.297 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 5.122 23.875 23.047 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 4.572 23.755 21.647 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 -6.587 7.032 22.248 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 -5.697 6.682 22.258 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 -7.057 6.472 21.638 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 15.360 1.412 23.829 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 15.511 2.342 23.659 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 14.441 1.272 23.599 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 10.704 -5.406 5.859 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 10.514 -5.286 4.929 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 11.564 -5.016 5.989 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 14.509 19.484 18.703 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 15.129 18.754 18.703 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 14.979 20.194 18.263 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 14.862 -24.198 15.461 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 14.832 -23.258 15.301 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 14.832 -24.598 14.591 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 -9.743 4.407 -13.433 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 -10.673 4.247 -13.323 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 -9.513 4.997 -12.713 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 -16.534 -6.206 18.759 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 -16.344 -5.296 18.539 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 -16.494 -6.666 17.929 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 -1.966 -3.173 -13.660 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 -1.166 -3.073 -13.130 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 -2.646 -3.383 -13.030 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 22.609 -6.802 -0.008 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 22.709 -7.192 -0.878 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 21.739 -7.092 0.282 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 25.155 -5.097 -13.511 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 25.275 -6.037 -13.361 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 24.685 -4.787 -12.741 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 19.277 23.808 -11.443 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 19.037 23.328 -10.643 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 19.977 23.278 -11.833 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -8.888 25.182 -13.444 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -7.948 25.322 -13.334 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -8.968 24.792 -14.314 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 10.843 -24.379 5.694 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 9.883 -24.419 5.644 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 11.023 -24.119 6.594 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 -22.585 17.785 3.550 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 -23.355 17.225 3.550 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 -22.935 18.675 3.470 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 13.735 25.617 1.473 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 12.845 25.327 1.283 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 13.935 25.237 2.333 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 15.432 3.572 -15.924 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 15.772 3.903 -15.104 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 16.132 3.023 -16.274 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 -16.019 5.799 -5.060 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 -16.549 5.179 -4.560 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 -16.449 5.849 -5.910 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 3.689 12.182 16.693 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 3.029 12.512 17.303 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 3.889 12.922 16.123 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -17.198 -14.590 14.630 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -17.848 -13.890 14.690 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -17.688 -15.390 14.840 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 9.658 8.772 24.403 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 10.078 9.042 25.223 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 8.818 8.402 24.673 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 -15.672 -7.009 -18.108 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 -15.092 -7.259 -17.388 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 -16.372 -6.499 -17.688 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 8.724 -5.600 -18.911 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 8.984 -5.020 -19.631 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 9.534 -5.780 -18.441 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 18.047 0.696 -11.933 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 18.317 0.866 -12.833 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 17.447 1.416 -11.733 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 23.902 21.791 -18.037 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 23.772 20.921 -18.417 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 24.682 22.131 -18.477 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 21.431 -21.743 9.588 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 22.081 -21.913 8.908 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 20.781 -21.183 9.168 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 -9.993 15.909 21.311 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 -10.673 16.269 20.751 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 -9.573 16.669 21.711 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 9.438 -19.963 24.021 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 9.568 -20.293 24.911 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 9.808 -20.633 23.451 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 -5.201 -22.789 23.078 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 -4.391 -23.299 23.108 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 -5.881 -23.439 22.888 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 17.124 15.601 -3.317 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 17.944 16.011 -3.587 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 17.334 15.161 -2.497 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 14.676 21.628 -13.530 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 14.916 20.938 -14.150 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 15.506 21.938 -13.180 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 19.198 -21.052 -25.372 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 18.808 -20.182 -25.432 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 19.758 -21.002 -24.592 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 -2.864 -20.127 18.323 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 -3.454 -19.407 18.143 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 -1.994 -19.807 18.063 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 10.092 21.740 16.559 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 10.172 21.770 17.519 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 10.362 22.610 16.279 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 23.193 -11.852 -25.379 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 23.253 -11.342 -24.569 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 23.073 -12.752 -25.079 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -10.374 -14.256 -20.664 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -10.384 -15.186 -20.884 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -10.784 -14.196 -19.804 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 9.887 7.946 -22.563 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 9.377 8.446 -21.923 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 9.267 7.336 -22.943 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 18.672 -8.338 -2.851 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 18.822 -9.278 -2.911 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 18.152 -8.128 -3.631 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 -18.313 -6.048 10.636 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 -18.213 -5.548 11.446 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 -17.433 -6.378 10.446 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -24.413 -6.341 -21.397 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -24.163 -7.231 -21.127 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -23.883 -5.771 -20.847 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 21.050 11.815 -24.360 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 21.701 11.115 -24.260 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 20.261 11.465 -23.950 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 9.679 -14.189 -4.071 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 8.829 -14.539 -3.811 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 9.749 -14.409 -5.001 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 -19.905 -17.938 15.849 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 -18.975 -17.878 16.089 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 -20.105 -18.868 15.939 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 24.309 9.413 19.412 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 24.089 8.973 20.232 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 23.539 9.303 18.862 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 -9.801 -1.940 11.364 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 -9.631 -2.650 11.984 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 -9.001 -1.420 11.364 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 15.165 11.059 -12.591 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 15.005 11.859 -12.091 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 14.775 10.369 -12.051 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 16.483 -14.392 21.659 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 15.733 -14.962 21.799 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 17.153 -14.972 21.289 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 10.848 6.727 2.248 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 10.798 6.187 3.038 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 11.728 6.547 1.898 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 -17.823 9.092 -3.527 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 -16.943 9.162 -3.907 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 -17.673 9.122 -2.587 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 -1.412 18.549 20.317 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 16.179 3.764 10.599 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 23.542 18.781 2.894 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 -5.894 4.549 -1.102 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 -10.817 -9.486 -21.368 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 17.373 1.279 -16.924 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 -19.547 0.930 -21.947 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -12.731 -14.567 9.711 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 22.435 9.452 15.346 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 18.843 -9.898 -22.238 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 25.066 -14.492 16.460 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 24.703 11.243 -12.986 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 -11.689 -14.992 -7.564 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 -15.593 -14.729 13.099 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -24.055 10.347 19.326 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 18.553 0.256 -19.644 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 12.197 8.592 14.469 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/generators/ntl9_1ns_2/structure.psf b/adaptivemd/generators/ntl9_1ns_2/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/generators/ntl9_1ns_2/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 0 + 750 WT0 129 TIP3 H1 HT 0.417000 1.0080 0 + 751 WT0 129 TIP3 H2 HT 0.417000 1.0080 0 + 752 WT0 130 TIP3 OH2 OT -0.834000 15.9994 0 + 753 WT0 130 TIP3 H1 HT 0.417000 1.0080 0 + 754 WT0 130 TIP3 H2 HT 0.417000 1.0080 0 + 755 WT0 133 TIP3 OH2 OT -0.834000 15.9994 0 + 756 WT0 133 TIP3 H1 HT 0.417000 1.0080 0 + 757 WT0 133 TIP3 H2 HT 0.417000 1.0080 0 + 758 WT0 134 TIP3 OH2 OT -0.834000 15.9994 0 + 759 WT0 134 TIP3 H1 HT 0.417000 1.0080 0 + 760 WT0 134 TIP3 H2 HT 0.417000 1.0080 0 + 761 WT0 135 TIP3 OH2 OT -0.834000 15.9994 0 + 762 WT0 135 TIP3 H1 HT 0.417000 1.0080 0 + 763 WT0 135 TIP3 H2 HT 0.417000 1.0080 0 + 764 WT0 137 TIP3 OH2 OT -0.834000 15.9994 0 + 765 WT0 137 TIP3 H1 HT 0.417000 1.0080 0 + 766 WT0 137 TIP3 H2 HT 0.417000 1.0080 0 + 767 WT0 145 TIP3 OH2 OT -0.834000 15.9994 0 + 768 WT0 145 TIP3 H1 HT 0.417000 1.0080 0 + 769 WT0 145 TIP3 H2 HT 0.417000 1.0080 0 + 770 WT0 146 TIP3 OH2 OT -0.834000 15.9994 0 + 771 WT0 146 TIP3 H1 HT 0.417000 1.0080 0 + 772 WT0 146 TIP3 H2 HT 0.417000 1.0080 0 + 773 WT0 149 TIP3 OH2 OT -0.834000 15.9994 0 + 774 WT0 149 TIP3 H1 HT 0.417000 1.0080 0 + 775 WT0 149 TIP3 H2 HT 0.417000 1.0080 0 + 776 WT0 150 TIP3 OH2 OT -0.834000 15.9994 0 + 777 WT0 150 TIP3 H1 HT 0.417000 1.0080 0 + 778 WT0 150 TIP3 H2 HT 0.417000 1.0080 0 + 779 WT0 152 TIP3 OH2 OT -0.834000 15.9994 0 + 780 WT0 152 TIP3 H1 HT 0.417000 1.0080 0 + 781 WT0 152 TIP3 H2 HT 0.417000 1.0080 0 + 782 WT0 153 TIP3 OH2 OT -0.834000 15.9994 0 + 783 WT0 153 TIP3 H1 HT 0.417000 1.0080 0 + 784 WT0 153 TIP3 H2 HT 0.417000 1.0080 0 + 785 WT0 155 TIP3 OH2 OT -0.834000 15.9994 0 + 786 WT0 155 TIP3 H1 HT 0.417000 1.0080 0 + 787 WT0 155 TIP3 H2 HT 0.417000 1.0080 0 + 788 WT0 156 TIP3 OH2 OT -0.834000 15.9994 0 + 789 WT0 156 TIP3 H1 HT 0.417000 1.0080 0 + 790 WT0 156 TIP3 H2 HT 0.417000 1.0080 0 + 791 WT0 160 TIP3 OH2 OT -0.834000 15.9994 0 + 792 WT0 160 TIP3 H1 HT 0.417000 1.0080 0 + 793 WT0 160 TIP3 H2 HT 0.417000 1.0080 0 + 794 WT0 162 TIP3 OH2 OT -0.834000 15.9994 0 + 795 WT0 162 TIP3 H1 HT 0.417000 1.0080 0 + 796 WT0 162 TIP3 H2 HT 0.417000 1.0080 0 + 797 WT0 163 TIP3 OH2 OT -0.834000 15.9994 0 + 798 WT0 163 TIP3 H1 HT 0.417000 1.0080 0 + 799 WT0 163 TIP3 H2 HT 0.417000 1.0080 0 + 800 WT0 167 TIP3 OH2 OT -0.834000 15.9994 0 + 801 WT0 167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 + 818 WT0 190 TIP3 OH2 OT -0.834000 15.9994 0 + 819 WT0 190 TIP3 H1 HT 0.417000 1.0080 0 + 820 WT0 190 TIP3 H2 HT 0.417000 1.0080 0 + 821 WT0 191 TIP3 OH2 OT -0.834000 15.9994 0 + 822 WT0 191 TIP3 H1 HT 0.417000 1.0080 0 + 823 WT0 191 TIP3 H2 HT 0.417000 1.0080 0 + 824 WT0 195 TIP3 OH2 OT -0.834000 15.9994 0 + 825 WT0 195 TIP3 H1 HT 0.417000 1.0080 0 + 826 WT0 195 TIP3 H2 HT 0.417000 1.0080 0 + 827 WT0 196 TIP3 OH2 OT -0.834000 15.9994 0 + 828 WT0 196 TIP3 H1 HT 0.417000 1.0080 0 + 829 WT0 196 TIP3 H2 HT 0.417000 1.0080 0 + 830 WT0 198 TIP3 OH2 OT -0.834000 15.9994 0 + 831 WT0 198 TIP3 H1 HT 0.417000 1.0080 0 + 832 WT0 198 TIP3 H2 HT 0.417000 1.0080 0 + 833 WT0 201 TIP3 OH2 OT -0.834000 15.9994 0 + 834 WT0 201 TIP3 H1 HT 0.417000 1.0080 0 + 835 WT0 201 TIP3 H2 HT 0.417000 1.0080 0 + 836 WT0 202 TIP3 OH2 OT -0.834000 15.9994 0 + 837 WT0 202 TIP3 H1 HT 0.417000 1.0080 0 + 838 WT0 202 TIP3 H2 HT 0.417000 1.0080 0 + 839 WT0 205 TIP3 OH2 OT -0.834000 15.9994 0 + 840 WT0 205 TIP3 H1 HT 0.417000 1.0080 0 + 841 WT0 205 TIP3 H2 HT 0.417000 1.0080 0 + 842 WT0 206 TIP3 OH2 OT -0.834000 15.9994 0 + 843 WT0 206 TIP3 H1 HT 0.417000 1.0080 0 + 844 WT0 206 TIP3 H2 HT 0.417000 1.0080 0 + 845 WT0 212 TIP3 OH2 OT -0.834000 15.9994 0 + 846 WT0 212 TIP3 H1 HT 0.417000 1.0080 0 + 847 WT0 212 TIP3 H2 HT 0.417000 1.0080 0 + 848 WT0 222 TIP3 OH2 OT -0.834000 15.9994 0 + 849 WT0 222 TIP3 H1 HT 0.417000 1.0080 0 + 850 WT0 222 TIP3 H2 HT 0.417000 1.0080 0 + 851 WT0 225 TIP3 OH2 OT -0.834000 15.9994 0 + 852 WT0 225 TIP3 H1 HT 0.417000 1.0080 0 + 853 WT0 225 TIP3 H2 HT 0.417000 1.0080 0 + 854 WT0 231 TIP3 OH2 OT -0.834000 15.9994 0 + 855 WT0 231 TIP3 H1 HT 0.417000 1.0080 0 + 856 WT0 231 TIP3 H2 HT 0.417000 1.0080 0 + 857 WT0 235 TIP3 OH2 OT -0.834000 15.9994 0 + 858 WT0 235 TIP3 H1 HT 0.417000 1.0080 0 + 859 WT0 235 TIP3 H2 HT 0.417000 1.0080 0 + 860 WT0 237 TIP3 OH2 OT -0.834000 15.9994 0 + 861 WT0 237 TIP3 H1 HT 0.417000 1.0080 0 + 862 WT0 237 TIP3 H2 HT 0.417000 1.0080 0 + 863 WT0 238 TIP3 OH2 OT -0.834000 15.9994 0 + 864 WT0 238 TIP3 H1 HT 0.417000 1.0080 0 + 865 WT0 238 TIP3 H2 HT 0.417000 1.0080 0 + 866 WT0 239 TIP3 OH2 OT -0.834000 15.9994 0 + 867 WT0 239 TIP3 H1 HT 0.417000 1.0080 0 + 868 WT0 239 TIP3 H2 HT 0.417000 1.0080 0 + 869 WT0 252 TIP3 OH2 OT -0.834000 15.9994 0 + 870 WT0 252 TIP3 H1 HT 0.417000 1.0080 0 + 871 WT0 252 TIP3 H2 HT 0.417000 1.0080 0 + 872 WT0 253 TIP3 OH2 OT -0.834000 15.9994 0 + 873 WT0 253 TIP3 H1 HT 0.417000 1.0080 0 + 874 WT0 253 TIP3 H2 HT 0.417000 1.0080 0 + 875 WT0 255 TIP3 OH2 OT -0.834000 15.9994 0 + 876 WT0 255 TIP3 H1 HT 0.417000 1.0080 0 + 877 WT0 255 TIP3 H2 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 901 WT0 282 TIP3 H2 HT 0.417000 1.0080 0 + 902 WT0 284 TIP3 OH2 OT -0.834000 15.9994 0 + 903 WT0 284 TIP3 H1 HT 0.417000 1.0080 0 + 904 WT0 284 TIP3 H2 HT 0.417000 1.0080 0 + 905 WT0 285 TIP3 OH2 OT -0.834000 15.9994 0 + 906 WT0 285 TIP3 H1 HT 0.417000 1.0080 0 + 907 WT0 285 TIP3 H2 HT 0.417000 1.0080 0 + 908 WT0 295 TIP3 OH2 OT -0.834000 15.9994 0 + 909 WT0 295 TIP3 H1 HT 0.417000 1.0080 0 + 910 WT0 295 TIP3 H2 HT 0.417000 1.0080 0 + 911 WT0 302 TIP3 OH2 OT -0.834000 15.9994 0 + 912 WT0 302 TIP3 H1 HT 0.417000 1.0080 0 + 913 WT0 302 TIP3 H2 HT 0.417000 1.0080 0 + 914 WT0 306 TIP3 OH2 OT -0.834000 15.9994 0 + 915 WT0 306 TIP3 H1 HT 0.417000 1.0080 0 + 916 WT0 306 TIP3 H2 HT 0.417000 1.0080 0 + 917 WT0 316 TIP3 OH2 OT -0.834000 15.9994 0 + 918 WT0 316 TIP3 H1 HT 0.417000 1.0080 0 + 919 WT0 316 TIP3 H2 HT 0.417000 1.0080 0 + 920 WT0 322 TIP3 OH2 OT -0.834000 15.9994 0 + 921 WT0 322 TIP3 H1 HT 0.417000 1.0080 0 + 922 WT0 322 TIP3 H2 HT 0.417000 1.0080 0 + 923 WT0 325 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946 WT0 365 TIP3 H2 HT 0.417000 1.0080 0 + 947 WT0 367 TIP3 OH2 OT -0.834000 15.9994 0 + 948 WT0 367 TIP3 H1 HT 0.417000 1.0080 0 + 949 WT0 367 TIP3 H2 HT 0.417000 1.0080 0 + 950 WT0 368 TIP3 OH2 OT -0.834000 15.9994 0 + 951 WT0 368 TIP3 H1 HT 0.417000 1.0080 0 + 952 WT0 368 TIP3 H2 HT 0.417000 1.0080 0 + 953 WT0 369 TIP3 OH2 OT -0.834000 15.9994 0 + 954 WT0 369 TIP3 H1 HT 0.417000 1.0080 0 + 955 WT0 369 TIP3 H2 HT 0.417000 1.0080 0 + 956 WT0 391 TIP3 OH2 OT -0.834000 15.9994 0 + 957 WT0 391 TIP3 H1 HT 0.417000 1.0080 0 + 958 WT0 391 TIP3 H2 HT 0.417000 1.0080 0 + 959 WT0 403 TIP3 OH2 OT -0.834000 15.9994 0 + 960 WT0 403 TIP3 H1 HT 0.417000 1.0080 0 + 961 WT0 403 TIP3 H2 HT 0.417000 1.0080 0 + 962 WT0 409 TIP3 OH2 OT -0.834000 15.9994 0 + 963 WT0 409 TIP3 H1 HT 0.417000 1.0080 0 + 964 WT0 409 TIP3 H2 HT 0.417000 1.0080 0 + 965 WT0 411 TIP3 OH2 OT -0.834000 15.9994 0 + 966 WT0 411 TIP3 H1 HT 0.417000 1.0080 0 + 967 WT0 411 TIP3 H2 HT 0.417000 1.0080 0 + 968 WT0 424 TIP3 OH2 OT -0.834000 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HT 0.417000 1.0080 0 + 992 WT0 457 TIP3 OH2 OT -0.834000 15.9994 0 + 993 WT0 457 TIP3 H1 HT 0.417000 1.0080 0 + 994 WT0 457 TIP3 H2 HT 0.417000 1.0080 0 + 995 WT0 465 TIP3 OH2 OT -0.834000 15.9994 0 + 996 WT0 465 TIP3 H1 HT 0.417000 1.0080 0 + 997 WT0 465 TIP3 H2 HT 0.417000 1.0080 0 + 998 WT0 466 TIP3 OH2 OT -0.834000 15.9994 0 + 999 WT0 466 TIP3 H1 HT 0.417000 1.0080 0 + 1000 WT0 466 TIP3 H2 HT 0.417000 1.0080 0 + 1001 WT0 469 TIP3 OH2 OT -0.834000 15.9994 0 + 1002 WT0 469 TIP3 H1 HT 0.417000 1.0080 0 + 1003 WT0 469 TIP3 H2 HT 0.417000 1.0080 0 + 1004 WT0 479 TIP3 OH2 OT -0.834000 15.9994 0 + 1005 WT0 479 TIP3 H1 HT 0.417000 1.0080 0 + 1006 WT0 479 TIP3 H2 HT 0.417000 1.0080 0 + 1007 WT0 484 TIP3 OH2 OT -0.834000 15.9994 0 + 1008 WT0 484 TIP3 H1 HT 0.417000 1.0080 0 + 1009 WT0 484 TIP3 H2 HT 0.417000 1.0080 0 + 1010 WT0 485 TIP3 OH2 OT -0.834000 15.9994 0 + 1011 WT0 485 TIP3 H1 HT 0.417000 1.0080 0 + 1012 WT0 485 TIP3 H2 HT 0.417000 1.0080 0 + 1013 WT0 486 TIP3 OH2 OT -0.834000 15.9994 0 + 1014 WT0 486 TIP3 H1 HT 0.417000 1.0080 0 + 1015 WT0 486 TIP3 H2 HT 0.417000 1.0080 0 + 1016 WT0 489 TIP3 OH2 OT -0.834000 15.9994 0 + 1017 WT0 489 TIP3 H1 HT 0.417000 1.0080 0 + 1018 WT0 489 TIP3 H2 HT 0.417000 1.0080 0 + 1019 WT0 490 TIP3 OH2 OT -0.834000 15.9994 0 + 1020 WT0 490 TIP3 H1 HT 0.417000 1.0080 0 + 1021 WT0 490 TIP3 H2 HT 0.417000 1.0080 0 + 1022 WT0 491 TIP3 OH2 OT -0.834000 15.9994 0 + 1023 WT0 491 TIP3 H1 HT 0.417000 1.0080 0 + 1024 WT0 491 TIP3 H2 HT 0.417000 1.0080 0 + 1025 WT0 493 TIP3 OH2 OT -0.834000 15.9994 0 + 1026 WT0 493 TIP3 H1 HT 0.417000 1.0080 0 + 1027 WT0 493 TIP3 H2 HT 0.417000 1.0080 0 + 1028 WT0 494 TIP3 OH2 OT -0.834000 15.9994 0 + 1029 WT0 494 TIP3 H1 HT 0.417000 1.0080 0 + 1030 WT0 494 TIP3 H2 HT 0.417000 1.0080 0 + 1031 WT0 495 TIP3 OH2 OT -0.834000 15.9994 0 + 1032 WT0 495 TIP3 H1 HT 0.417000 1.0080 0 + 1033 WT0 495 TIP3 H2 HT 0.417000 1.0080 0 + 1034 WT0 498 TIP3 OH2 OT -0.834000 15.9994 0 + 1035 WT0 498 TIP3 H1 HT 0.417000 1.0080 0 + 1036 WT0 498 TIP3 H2 HT 0.417000 1.0080 0 + 1037 WT0 500 TIP3 OH2 OT -0.834000 15.9994 0 + 1038 WT0 500 TIP3 H1 HT 0.417000 1.0080 0 + 1039 WT0 500 TIP3 H2 HT 0.417000 1.0080 0 + 1040 WT0 503 TIP3 OH2 OT -0.834000 15.9994 0 + 1041 WT0 503 TIP3 H1 HT 0.417000 1.0080 0 + 1042 WT0 503 TIP3 H2 HT 0.417000 1.0080 0 + 1043 WT0 506 TIP3 OH2 OT -0.834000 15.9994 0 + 1044 WT0 506 TIP3 H1 HT 0.417000 1.0080 0 + 1045 WT0 506 TIP3 H2 HT 0.417000 1.0080 0 + 1046 WT0 507 TIP3 OH2 OT -0.834000 15.9994 0 + 1047 WT0 507 TIP3 H1 HT 0.417000 1.0080 0 + 1048 WT0 507 TIP3 H2 HT 0.417000 1.0080 0 + 1049 WT0 508 TIP3 OH2 OT -0.834000 15.9994 0 + 1050 WT0 508 TIP3 H1 HT 0.417000 1.0080 0 + 1051 WT0 508 TIP3 H2 HT 0.417000 1.0080 0 + 1052 WT0 509 TIP3 OH2 OT -0.834000 15.9994 0 + 1053 WT0 509 TIP3 H1 HT 0.417000 1.0080 0 + 1054 WT0 509 TIP3 H2 HT 0.417000 1.0080 0 + 1055 WT0 511 TIP3 OH2 OT -0.834000 15.9994 0 + 1056 WT0 511 TIP3 H1 HT 0.417000 1.0080 0 + 1057 WT0 511 TIP3 H2 HT 0.417000 1.0080 0 + 1058 WT0 512 TIP3 OH2 OT -0.834000 15.9994 0 + 1059 WT0 512 TIP3 H1 HT 0.417000 1.0080 0 + 1060 WT0 512 TIP3 H2 HT 0.417000 1.0080 0 + 1061 WT0 514 TIP3 OH2 OT -0.834000 15.9994 0 + 1062 WT0 514 TIP3 H1 HT 0.417000 1.0080 0 + 1063 WT0 514 TIP3 H2 HT 0.417000 1.0080 0 + 1064 WT0 515 TIP3 OH2 OT -0.834000 15.9994 0 + 1065 WT0 515 TIP3 H1 HT 0.417000 1.0080 0 + 1066 WT0 515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 + 1155 WT0 587 TIP3 H1 HT 0.417000 1.0080 0 + 1156 WT0 587 TIP3 H2 HT 0.417000 1.0080 0 + 1157 WT0 588 TIP3 OH2 OT -0.834000 15.9994 0 + 1158 WT0 588 TIP3 H1 HT 0.417000 1.0080 0 + 1159 WT0 588 TIP3 H2 HT 0.417000 1.0080 0 + 1160 WT0 591 TIP3 OH2 OT -0.834000 15.9994 0 + 1161 WT0 591 TIP3 H1 HT 0.417000 1.0080 0 + 1162 WT0 591 TIP3 H2 HT 0.417000 1.0080 0 + 1163 WT0 593 TIP3 OH2 OT -0.834000 15.9994 0 + 1164 WT0 593 TIP3 H1 HT 0.417000 1.0080 0 + 1165 WT0 593 TIP3 H2 HT 0.417000 1.0080 0 + 1166 WT0 594 TIP3 OH2 OT -0.834000 15.9994 0 + 1167 WT0 594 TIP3 H1 HT 0.417000 1.0080 0 + 1168 WT0 594 TIP3 H2 HT 0.417000 1.0080 0 + 1169 WT0 595 TIP3 OH2 OT -0.834000 15.9994 0 + 1170 WT0 595 TIP3 H1 HT 0.417000 1.0080 0 + 1171 WT0 595 TIP3 H2 HT 0.417000 1.0080 0 + 1172 WT0 598 TIP3 OH2 OT -0.834000 15.9994 0 + 1173 WT0 598 TIP3 H1 HT 0.417000 1.0080 0 + 1174 WT0 598 TIP3 H2 HT 0.417000 1.0080 0 + 1175 WT0 599 TIP3 OH2 OT -0.834000 15.9994 0 + 1176 WT0 599 TIP3 H1 HT 0.417000 1.0080 0 + 1177 WT0 599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 + 1266 WT0 676 TIP3 H1 HT 0.417000 1.0080 0 + 1267 WT0 676 TIP3 H2 HT 0.417000 1.0080 0 + 1268 WT0 677 TIP3 OH2 OT -0.834000 15.9994 0 + 1269 WT0 677 TIP3 H1 HT 0.417000 1.0080 0 + 1270 WT0 677 TIP3 H2 HT 0.417000 1.0080 0 + 1271 WT0 679 TIP3 OH2 OT -0.834000 15.9994 0 + 1272 WT0 679 TIP3 H1 HT 0.417000 1.0080 0 + 1273 WT0 679 TIP3 H2 HT 0.417000 1.0080 0 + 1274 WT0 680 TIP3 OH2 OT -0.834000 15.9994 0 + 1275 WT0 680 TIP3 H1 HT 0.417000 1.0080 0 + 1276 WT0 680 TIP3 H2 HT 0.417000 1.0080 0 + 1277 WT0 682 TIP3 OH2 OT -0.834000 15.9994 0 + 1278 WT0 682 TIP3 H1 HT 0.417000 1.0080 0 + 1279 WT0 682 TIP3 H2 HT 0.417000 1.0080 0 + 1280 WT0 684 TIP3 OH2 OT -0.834000 15.9994 0 + 1281 WT0 684 TIP3 H1 HT 0.417000 1.0080 0 + 1282 WT0 684 TIP3 H2 HT 0.417000 1.0080 0 + 1283 WT0 686 TIP3 OH2 OT -0.834000 15.9994 0 + 1284 WT0 686 TIP3 H1 HT 0.417000 1.0080 0 + 1285 WT0 686 TIP3 H2 HT 0.417000 1.0080 0 + 1286 WT0 687 TIP3 OH2 OT -0.834000 15.9994 0 + 1287 WT0 687 TIP3 H1 HT 0.417000 1.0080 0 + 1288 WT0 687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 0.417000 1.0080 0 + 1366 WT0 749 TIP3 H2 HT 0.417000 1.0080 0 + 1367 WT0 759 TIP3 OH2 OT -0.834000 15.9994 0 + 1368 WT0 759 TIP3 H1 HT 0.417000 1.0080 0 + 1369 WT0 759 TIP3 H2 HT 0.417000 1.0080 0 + 1370 WT0 761 TIP3 OH2 OT -0.834000 15.9994 0 + 1371 WT0 761 TIP3 H1 HT 0.417000 1.0080 0 + 1372 WT0 761 TIP3 H2 HT 0.417000 1.0080 0 + 1373 WT0 765 TIP3 OH2 OT -0.834000 15.9994 0 + 1374 WT0 765 TIP3 H1 HT 0.417000 1.0080 0 + 1375 WT0 765 TIP3 H2 HT 0.417000 1.0080 0 + 1376 WT0 778 TIP3 OH2 OT -0.834000 15.9994 0 + 1377 WT0 778 TIP3 H1 HT 0.417000 1.0080 0 + 1378 WT0 778 TIP3 H2 HT 0.417000 1.0080 0 + 1379 WT0 785 TIP3 OH2 OT -0.834000 15.9994 0 + 1380 WT0 785 TIP3 H1 HT 0.417000 1.0080 0 + 1381 WT0 785 TIP3 H2 HT 0.417000 1.0080 0 + 1382 WT0 787 TIP3 OH2 OT -0.834000 15.9994 0 + 1383 WT0 787 TIP3 H1 HT 0.417000 1.0080 0 + 1384 WT0 787 TIP3 H2 HT 0.417000 1.0080 0 + 1385 WT0 788 TIP3 OH2 OT -0.834000 15.9994 0 + 1386 WT0 788 TIP3 H1 HT 0.417000 1.0080 0 + 1387 WT0 788 TIP3 H2 HT 0.417000 1.0080 0 + 1388 WT0 793 TIP3 OH2 OT -0.834000 15.9994 0 + 1389 WT0 793 TIP3 H1 HT 0.417000 1.0080 0 + 1390 WT0 793 TIP3 H2 HT 0.417000 1.0080 0 + 1391 WT0 796 TIP3 OH2 OT -0.834000 15.9994 0 + 1392 WT0 796 TIP3 H1 HT 0.417000 1.0080 0 + 1393 WT0 796 TIP3 H2 HT 0.417000 1.0080 0 + 1394 WT0 806 TIP3 OH2 OT -0.834000 15.9994 0 + 1395 WT0 806 TIP3 H1 HT 0.417000 1.0080 0 + 1396 WT0 806 TIP3 H2 HT 0.417000 1.0080 0 + 1397 WT0 809 TIP3 OH2 OT -0.834000 15.9994 0 + 1398 WT0 809 TIP3 H1 HT 0.417000 1.0080 0 + 1399 WT0 809 TIP3 H2 HT 0.417000 1.0080 0 + 1400 WT0 811 TIP3 OH2 OT -0.834000 15.9994 0 + 1401 WT0 811 TIP3 H1 HT 0.417000 1.0080 0 + 1402 WT0 811 TIP3 H2 HT 0.417000 1.0080 0 + 1403 WT0 813 TIP3 OH2 OT -0.834000 15.9994 0 + 1404 WT0 813 TIP3 H1 HT 0.417000 1.0080 0 + 1405 WT0 813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT -0.834000 15.9994 0 + 1413 WT0 822 TIP3 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0.417000 1.0080 0 + 1436 WT0 887 TIP3 OH2 OT -0.834000 15.9994 0 + 1437 WT0 887 TIP3 H1 HT 0.417000 1.0080 0 + 1438 WT0 887 TIP3 H2 HT 0.417000 1.0080 0 + 1439 WT0 889 TIP3 OH2 OT -0.834000 15.9994 0 + 1440 WT0 889 TIP3 H1 HT 0.417000 1.0080 0 + 1441 WT0 889 TIP3 H2 HT 0.417000 1.0080 0 + 1442 WT0 891 TIP3 OH2 OT -0.834000 15.9994 0 + 1443 WT0 891 TIP3 H1 HT 0.417000 1.0080 0 + 1444 WT0 891 TIP3 H2 HT 0.417000 1.0080 0 + 1445 WT0 894 TIP3 OH2 OT -0.834000 15.9994 0 + 1446 WT0 894 TIP3 H1 HT 0.417000 1.0080 0 + 1447 WT0 894 TIP3 H2 HT 0.417000 1.0080 0 + 1448 WT0 895 TIP3 OH2 OT -0.834000 15.9994 0 + 1449 WT0 895 TIP3 H1 HT 0.417000 1.0080 0 + 1450 WT0 895 TIP3 H2 HT 0.417000 1.0080 0 + 1451 WT0 897 TIP3 OH2 OT -0.834000 15.9994 0 + 1452 WT0 897 TIP3 H1 HT 0.417000 1.0080 0 + 1453 WT0 897 TIP3 H2 HT 0.417000 1.0080 0 + 1454 WT0 899 TIP3 OH2 OT -0.834000 15.9994 0 + 1455 WT0 899 TIP3 H1 HT 0.417000 1.0080 0 + 1456 WT0 899 TIP3 H2 HT 0.417000 1.0080 0 + 1457 WT0 906 TIP3 OH2 OT -0.834000 15.9994 0 + 1458 WT0 906 TIP3 H1 HT 0.417000 1.0080 0 + 1459 WT0 906 TIP3 H2 HT 0.417000 1.0080 0 + 1460 WT0 907 TIP3 OH2 OT -0.834000 15.9994 0 + 1461 WT0 907 TIP3 H1 HT 0.417000 1.0080 0 + 1462 WT0 907 TIP3 H2 HT 0.417000 1.0080 0 + 1463 WT0 908 TIP3 OH2 OT -0.834000 15.9994 0 + 1464 WT0 908 TIP3 H1 HT 0.417000 1.0080 0 + 1465 WT0 908 TIP3 H2 HT 0.417000 1.0080 0 + 1466 WT0 911 TIP3 OH2 OT -0.834000 15.9994 0 + 1467 WT0 911 TIP3 H1 HT 0.417000 1.0080 0 + 1468 WT0 911 TIP3 H2 HT 0.417000 1.0080 0 + 1469 WT0 912 TIP3 OH2 OT -0.834000 15.9994 0 + 1470 WT0 912 TIP3 H1 HT 0.417000 1.0080 0 + 1471 WT0 912 TIP3 H2 HT 0.417000 1.0080 0 + 1472 WT0 916 TIP3 OH2 OT -0.834000 15.9994 0 + 1473 WT0 916 TIP3 H1 HT 0.417000 1.0080 0 + 1474 WT0 916 TIP3 H2 HT 0.417000 1.0080 0 + 1475 WT0 917 TIP3 OH2 OT -0.834000 15.9994 0 + 1476 WT0 917 TIP3 H1 HT 0.417000 1.0080 0 + 1477 WT0 917 TIP3 H2 HT 0.417000 1.0080 0 + 1478 WT0 924 TIP3 OH2 OT -0.834000 15.9994 0 + 1479 WT0 924 TIP3 H1 HT 0.417000 1.0080 0 + 1480 WT0 924 TIP3 H2 HT 0.417000 1.0080 0 + 1481 WT0 927 TIP3 OH2 OT -0.834000 15.9994 0 + 1482 WT0 927 TIP3 H1 HT 0.417000 1.0080 0 + 1483 WT0 927 TIP3 H2 HT 0.417000 1.0080 0 + 1484 WT0 928 TIP3 OH2 OT -0.834000 15.9994 0 + 1485 WT0 928 TIP3 H1 HT 0.417000 1.0080 0 + 1486 WT0 928 TIP3 H2 HT 0.417000 1.0080 0 + 1487 WT0 929 TIP3 OH2 OT -0.834000 15.9994 0 + 1488 WT0 929 TIP3 H1 HT 0.417000 1.0080 0 + 1489 WT0 929 TIP3 H2 HT 0.417000 1.0080 0 + 1490 WT0 930 TIP3 OH2 OT -0.834000 15.9994 0 + 1491 WT0 930 TIP3 H1 HT 0.417000 1.0080 0 + 1492 WT0 930 TIP3 H2 HT 0.417000 1.0080 0 + 1493 WT0 932 TIP3 OH2 OT -0.834000 15.9994 0 + 1494 WT0 932 TIP3 H1 HT 0.417000 1.0080 0 + 1495 WT0 932 TIP3 H2 HT 0.417000 1.0080 0 + 1496 WT0 933 TIP3 OH2 OT -0.834000 15.9994 0 + 1497 WT0 933 TIP3 H1 HT 0.417000 1.0080 0 + 1498 WT0 933 TIP3 H2 HT 0.417000 1.0080 0 + 1499 WT0 936 TIP3 OH2 OT -0.834000 15.9994 0 + 1500 WT0 936 TIP3 H1 HT 0.417000 1.0080 0 + 1501 WT0 936 TIP3 H2 HT 0.417000 1.0080 0 + 1502 WT0 940 TIP3 OH2 OT -0.834000 15.9994 0 + 1503 WT0 940 TIP3 H1 HT 0.417000 1.0080 0 + 1504 WT0 940 TIP3 H2 HT 0.417000 1.0080 0 + 1505 WT0 941 TIP3 OH2 OT -0.834000 15.9994 0 + 1506 WT0 941 TIP3 H1 HT 0.417000 1.0080 0 + 1507 WT0 941 TIP3 H2 HT 0.417000 1.0080 0 + 1508 WT0 942 TIP3 OH2 OT -0.834000 15.9994 0 + 1509 WT0 942 TIP3 H1 HT 0.417000 1.0080 0 + 1510 WT0 942 TIP3 H2 HT 0.417000 1.0080 0 + 1511 WT0 947 TIP3 OH2 OT -0.834000 15.9994 0 + 1512 WT0 947 TIP3 H1 HT 0.417000 1.0080 0 + 1513 WT0 947 TIP3 H2 HT 0.417000 1.0080 0 + 1514 WT0 948 TIP3 OH2 OT -0.834000 15.9994 0 + 1515 WT0 948 TIP3 H1 HT 0.417000 1.0080 0 + 1516 WT0 948 TIP3 H2 HT 0.417000 1.0080 0 + 1517 WT0 949 TIP3 OH2 OT -0.834000 15.9994 0 + 1518 WT0 949 TIP3 H1 HT 0.417000 1.0080 0 + 1519 WT0 949 TIP3 H2 HT 0.417000 1.0080 0 + 1520 WT0 950 TIP3 OH2 OT -0.834000 15.9994 0 + 1521 WT0 950 TIP3 H1 HT 0.417000 1.0080 0 + 1522 WT0 950 TIP3 H2 HT 0.417000 1.0080 0 + 1523 WT0 951 TIP3 OH2 OT -0.834000 15.9994 0 + 1524 WT0 951 TIP3 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0.417000 1.0080 0 + 1547 WT0 970 TIP3 OH2 OT -0.834000 15.9994 0 + 1548 WT0 970 TIP3 H1 HT 0.417000 1.0080 0 + 1549 WT0 970 TIP3 H2 HT 0.417000 1.0080 0 + 1550 WT0 972 TIP3 OH2 OT -0.834000 15.9994 0 + 1551 WT0 972 TIP3 H1 HT 0.417000 1.0080 0 + 1552 WT0 972 TIP3 H2 HT 0.417000 1.0080 0 + 1553 WT0 974 TIP3 OH2 OT -0.834000 15.9994 0 + 1554 WT0 974 TIP3 H1 HT 0.417000 1.0080 0 + 1555 WT0 974 TIP3 H2 HT 0.417000 1.0080 0 + 1556 WT0 975 TIP3 OH2 OT -0.834000 15.9994 0 + 1557 WT0 975 TIP3 H1 HT 0.417000 1.0080 0 + 1558 WT0 975 TIP3 H2 HT 0.417000 1.0080 0 + 1559 WT0 977 TIP3 OH2 OT -0.834000 15.9994 0 + 1560 WT0 977 TIP3 H1 HT 0.417000 1.0080 0 + 1561 WT0 977 TIP3 H2 HT 0.417000 1.0080 0 + 1562 WT0 978 TIP3 OH2 OT -0.834000 15.9994 0 + 1563 WT0 978 TIP3 H1 HT 0.417000 1.0080 0 + 1564 WT0 978 TIP3 H2 HT 0.417000 1.0080 0 + 1565 WT0 982 TIP3 OH2 OT -0.834000 15.9994 0 + 1566 WT0 982 TIP3 H1 HT 0.417000 1.0080 0 + 1567 WT0 982 TIP3 H2 HT 0.417000 1.0080 0 + 1568 WT0 983 TIP3 OH2 OT -0.834000 15.9994 0 + 1569 WT0 983 TIP3 H1 HT 0.417000 1.0080 0 + 1570 WT0 983 TIP3 H2 HT 0.417000 1.0080 0 + 1571 WT0 985 TIP3 OH2 OT -0.834000 15.9994 0 + 1572 WT0 985 TIP3 H1 HT 0.417000 1.0080 0 + 1573 WT0 985 TIP3 H2 HT 0.417000 1.0080 0 + 1574 WT0 988 TIP3 OH2 OT -0.834000 15.9994 0 + 1575 WT0 988 TIP3 H1 HT 0.417000 1.0080 0 + 1576 WT0 988 TIP3 H2 HT 0.417000 1.0080 0 + 1577 WT0 989 TIP3 OH2 OT -0.834000 15.9994 0 + 1578 WT0 989 TIP3 H1 HT 0.417000 1.0080 0 + 1579 WT0 989 TIP3 H2 HT 0.417000 1.0080 0 + 1580 WT0 990 TIP3 OH2 OT -0.834000 15.9994 0 + 1581 WT0 990 TIP3 H1 HT 0.417000 1.0080 0 + 1582 WT0 990 TIP3 H2 HT 0.417000 1.0080 0 + 1583 WT0 991 TIP3 OH2 OT -0.834000 15.9994 0 + 1584 WT0 991 TIP3 H1 HT 0.417000 1.0080 0 + 1585 WT0 991 TIP3 H2 HT 0.417000 1.0080 0 + 1586 WT0 992 TIP3 OH2 OT -0.834000 15.9994 0 + 1587 WT0 992 TIP3 H1 HT 0.417000 1.0080 0 + 1588 WT0 992 TIP3 H2 HT 0.417000 1.0080 0 + 1589 WT0 994 TIP3 OH2 OT -0.834000 15.9994 0 + 1590 WT0 994 TIP3 H1 HT 0.417000 1.0080 0 + 1591 WT0 994 TIP3 H2 HT 0.417000 1.0080 0 + 1592 WT0 995 TIP3 OH2 OT -0.834000 15.9994 0 + 1593 WT0 995 TIP3 H1 HT 0.417000 1.0080 0 + 1594 WT0 995 TIP3 H2 HT 0.417000 1.0080 0 + 1595 WT0 996 TIP3 OH2 OT -0.834000 15.9994 0 + 1596 WT0 996 TIP3 H1 HT 0.417000 1.0080 0 + 1597 WT0 996 TIP3 H2 HT 0.417000 1.0080 0 + 1598 WT0 1004 TIP3 OH2 OT -0.834000 15.9994 0 + 1599 WT0 1004 TIP3 H1 HT 0.417000 1.0080 0 + 1600 WT0 1004 TIP3 H2 HT 0.417000 1.0080 0 + 1601 WT0 1007 TIP3 OH2 OT -0.834000 15.9994 0 + 1602 WT0 1007 TIP3 H1 HT 0.417000 1.0080 0 + 1603 WT0 1007 TIP3 H2 HT 0.417000 1.0080 0 + 1604 WT0 1011 TIP3 OH2 OT -0.834000 15.9994 0 + 1605 WT0 1011 TIP3 H1 HT 0.417000 1.0080 0 + 1606 WT0 1011 TIP3 H2 HT 0.417000 1.0080 0 + 1607 WT0 1012 TIP3 OH2 OT -0.834000 15.9994 0 + 1608 WT0 1012 TIP3 H1 HT 0.417000 1.0080 0 + 1609 WT0 1012 TIP3 H2 HT 0.417000 1.0080 0 + 1610 WT0 1013 TIP3 OH2 OT -0.834000 15.9994 0 + 1611 WT0 1013 TIP3 H1 HT 0.417000 1.0080 0 + 1612 WT0 1013 TIP3 H2 HT 0.417000 1.0080 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1045 TIP3 H1 HT 0.417000 1.0080 0 + 1657 WT0 1045 TIP3 H2 HT 0.417000 1.0080 0 + 1658 WT0 1053 TIP3 OH2 OT -0.834000 15.9994 0 + 1659 WT0 1053 TIP3 H1 HT 0.417000 1.0080 0 + 1660 WT0 1053 TIP3 H2 HT 0.417000 1.0080 0 + 1661 WT0 1055 TIP3 OH2 OT -0.834000 15.9994 0 + 1662 WT0 1055 TIP3 H1 HT 0.417000 1.0080 0 + 1663 WT0 1055 TIP3 H2 HT 0.417000 1.0080 0 + 1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 + 1670 WT0 1058 TIP3 OH2 OT -0.834000 15.9994 0 + 1671 WT0 1058 TIP3 H1 HT 0.417000 1.0080 0 + 1672 WT0 1058 TIP3 H2 HT 0.417000 1.0080 0 + 1673 WT0 1059 TIP3 OH2 OT -0.834000 15.9994 0 + 1674 WT0 1059 TIP3 H1 HT 0.417000 1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 1700 WT0 1076 TIP3 OH2 OT -0.834000 15.9994 0 + 1701 WT0 1076 TIP3 H1 HT 0.417000 1.0080 0 + 1702 WT0 1076 TIP3 H2 HT 0.417000 1.0080 0 + 1703 WT0 1077 TIP3 OH2 OT -0.834000 15.9994 0 + 1704 WT0 1077 TIP3 H1 HT 0.417000 1.0080 0 + 1705 WT0 1077 TIP3 H2 HT 0.417000 1.0080 0 + 1706 WT0 1078 TIP3 OH2 OT -0.834000 15.9994 0 + 1707 WT0 1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 + 2299 WT0 1518 TIP3 H2 HT 0.417000 1.0080 0 + 2300 WT0 1519 TIP3 OH2 OT -0.834000 15.9994 0 + 2301 WT0 1519 TIP3 H1 HT 0.417000 1.0080 0 + 2302 WT0 1519 TIP3 H2 HT 0.417000 1.0080 0 + 2303 WT0 1520 TIP3 OH2 OT -0.834000 15.9994 0 + 2304 WT0 1520 TIP3 H1 HT 0.417000 1.0080 0 + 2305 WT0 1520 TIP3 H2 HT 0.417000 1.0080 0 + 2306 WT0 1522 TIP3 OH2 OT -0.834000 15.9994 0 + 2307 WT0 1522 TIP3 H1 HT 0.417000 1.0080 0 + 2308 WT0 1522 TIP3 H2 HT 0.417000 1.0080 0 + 2309 WT0 1524 TIP3 OH2 OT -0.834000 15.9994 0 + 2310 WT0 1524 TIP3 H1 HT 0.417000 1.0080 0 + 2311 WT0 1524 TIP3 H2 HT 0.417000 1.0080 0 + 2312 WT0 1526 TIP3 OH2 OT -0.834000 15.9994 0 + 2313 WT0 1526 TIP3 H1 HT 0.417000 1.0080 0 + 2314 WT0 1526 TIP3 H2 HT 0.417000 1.0080 0 + 2315 WT0 1527 TIP3 OH2 OT -0.834000 15.9994 0 + 2316 WT0 1527 TIP3 H1 HT 0.417000 1.0080 0 + 2317 WT0 1527 TIP3 H2 HT 0.417000 1.0080 0 + 2318 WT0 1528 TIP3 OH2 OT -0.834000 15.9994 0 + 2319 WT0 1528 TIP3 H1 HT 0.417000 1.0080 0 + 2320 WT0 1528 TIP3 H2 HT 0.417000 1.0080 0 + 2321 WT0 1529 TIP3 OH2 OT -0.834000 15.9994 0 + 2322 WT0 1529 TIP3 H1 HT 0.417000 1.0080 0 + 2323 WT0 1529 TIP3 H2 HT 0.417000 1.0080 0 + 2324 WT0 1531 TIP3 OH2 OT -0.834000 15.9994 0 + 2325 WT0 1531 TIP3 H1 HT 0.417000 1.0080 0 + 2326 WT0 1531 TIP3 H2 HT 0.417000 1.0080 0 + 2327 WT0 1532 TIP3 OH2 OT -0.834000 15.9994 0 + 2328 WT0 1532 TIP3 H1 HT 0.417000 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2459 WT0 1608 TIP3 OH2 OT -0.834000 15.9994 0 + 2460 WT0 1608 TIP3 H1 HT 0.417000 1.0080 0 + 2461 WT0 1608 TIP3 H2 HT 0.417000 1.0080 0 + 2462 WT0 1609 TIP3 OH2 OT -0.834000 15.9994 0 + 2463 WT0 1609 TIP3 H1 HT 0.417000 1.0080 0 + 2464 WT0 1609 TIP3 H2 HT 0.417000 1.0080 0 + 2465 WT0 1610 TIP3 OH2 OT -0.834000 15.9994 0 + 2466 WT0 1610 TIP3 H1 HT 0.417000 1.0080 0 + 2467 WT0 1610 TIP3 H2 HT 0.417000 1.0080 0 + 2468 WT0 1611 TIP3 OH2 OT -0.834000 15.9994 0 + 2469 WT0 1611 TIP3 H1 HT 0.417000 1.0080 0 + 2470 WT0 1611 TIP3 H2 HT 0.417000 1.0080 0 + 2471 WT0 1612 TIP3 OH2 OT -0.834000 15.9994 0 + 2472 WT0 1612 TIP3 H1 HT 0.417000 1.0080 0 + 2473 WT0 1612 TIP3 H2 HT 0.417000 1.0080 0 + 2474 WT0 1616 TIP3 OH2 OT -0.834000 15.9994 0 + 2475 WT0 1616 TIP3 H1 HT 0.417000 1.0080 0 + 2476 WT0 1616 TIP3 H2 HT 0.417000 1.0080 0 + 2477 WT0 1617 TIP3 OH2 OT -0.834000 15.9994 0 + 2478 WT0 1617 TIP3 H1 HT 0.417000 1.0080 0 + 2479 WT0 1617 TIP3 H2 HT 0.417000 1.0080 0 + 2480 WT0 1618 TIP3 OH2 OT 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1.0080 0 + 2611 WT0 1757 TIP3 H2 HT 0.417000 1.0080 0 + 2612 WT0 1764 TIP3 OH2 OT -0.834000 15.9994 0 + 2613 WT0 1764 TIP3 H1 HT 0.417000 1.0080 0 + 2614 WT0 1764 TIP3 H2 HT 0.417000 1.0080 0 + 2615 WT0 1766 TIP3 OH2 OT -0.834000 15.9994 0 + 2616 WT0 1766 TIP3 H1 HT 0.417000 1.0080 0 + 2617 WT0 1766 TIP3 H2 HT 0.417000 1.0080 0 + 2618 WT0 1771 TIP3 OH2 OT -0.834000 15.9994 0 + 2619 WT0 1771 TIP3 H1 HT 0.417000 1.0080 0 + 2620 WT0 1771 TIP3 H2 HT 0.417000 1.0080 0 + 2621 WT0 1772 TIP3 OH2 OT -0.834000 15.9994 0 + 2622 WT0 1772 TIP3 H1 HT 0.417000 1.0080 0 + 2623 WT0 1772 TIP3 H2 HT 0.417000 1.0080 0 + 2624 WT0 1773 TIP3 OH2 OT -0.834000 15.9994 0 + 2625 WT0 1773 TIP3 H1 HT 0.417000 1.0080 0 + 2626 WT0 1773 TIP3 H2 HT 0.417000 1.0080 0 + 2627 WT0 1775 TIP3 OH2 OT -0.834000 15.9994 0 + 2628 WT0 1775 TIP3 H1 HT 0.417000 1.0080 0 + 2629 WT0 1775 TIP3 H2 HT 0.417000 1.0080 0 + 2630 WT0 1776 TIP3 OH2 OT -0.834000 15.9994 0 + 2631 WT0 1776 TIP3 H1 HT 0.417000 1.0080 0 + 2632 WT0 1776 TIP3 H2 HT 0.417000 1.0080 0 + 2633 WT0 1778 TIP3 OH2 OT -0.834000 15.9994 0 + 2634 WT0 1778 TIP3 H1 HT 0.417000 1.0080 0 + 2635 WT0 1778 TIP3 H2 HT 0.417000 1.0080 0 + 2636 WT0 1789 TIP3 OH2 OT -0.834000 15.9994 0 + 2637 WT0 1789 TIP3 H1 HT 0.417000 1.0080 0 + 2638 WT0 1789 TIP3 H2 HT 0.417000 1.0080 0 + 2639 WT0 1790 TIP3 OH2 OT -0.834000 15.9994 0 + 2640 WT0 1790 TIP3 H1 HT 0.417000 1.0080 0 + 2641 WT0 1790 TIP3 H2 HT 0.417000 1.0080 0 + 2642 WT0 1794 TIP3 OH2 OT -0.834000 15.9994 0 + 2643 WT0 1794 TIP3 H1 HT 0.417000 1.0080 0 + 2644 WT0 1794 TIP3 H2 HT 0.417000 1.0080 0 + 2645 WT0 1795 TIP3 OH2 OT -0.834000 15.9994 0 + 2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 0 + 3291 WT0 2151 TIP3 H1 HT 0.417000 1.0080 0 + 3292 WT0 2151 TIP3 H2 HT 0.417000 1.0080 0 + 3293 WT0 2155 TIP3 OH2 OT -0.834000 15.9994 0 + 3294 WT0 2155 TIP3 H1 HT 0.417000 1.0080 0 + 3295 WT0 2155 TIP3 H2 HT 0.417000 1.0080 0 + 3296 WT0 2159 TIP3 OH2 OT -0.834000 15.9994 0 + 3297 WT0 2159 TIP3 H1 HT 0.417000 1.0080 0 + 3298 WT0 2159 TIP3 H2 HT 0.417000 1.0080 0 + 3299 WT0 2163 TIP3 OH2 OT -0.834000 15.9994 0 + 3300 WT0 2163 TIP3 H1 HT 0.417000 1.0080 0 + 3301 WT0 2163 TIP3 H2 HT 0.417000 1.0080 0 + 3302 WT0 2165 TIP3 OH2 OT -0.834000 15.9994 0 + 3303 WT0 2165 TIP3 H1 HT 0.417000 1.0080 0 + 3304 WT0 2165 TIP3 H2 HT 0.417000 1.0080 0 + 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3587 WT0 2352 TIP3 OH2 OT -0.834000 15.9994 0 + 3588 WT0 2352 TIP3 H1 HT 0.417000 1.0080 0 + 3589 WT0 2352 TIP3 H2 HT 0.417000 1.0080 0 + 3590 WT0 2354 TIP3 OH2 OT -0.834000 15.9994 0 + 3591 WT0 2354 TIP3 H1 HT 0.417000 1.0080 0 + 3592 WT0 2354 TIP3 H2 HT 0.417000 1.0080 0 + 3593 WT0 2355 TIP3 OH2 OT -0.834000 15.9994 0 + 3594 WT0 2355 TIP3 H1 HT 0.417000 1.0080 0 + 3595 WT0 2355 TIP3 H2 HT 0.417000 1.0080 0 + 3596 WT0 2357 TIP3 OH2 OT -0.834000 15.9994 0 + 3597 WT0 2357 TIP3 H1 HT 0.417000 1.0080 0 + 3598 WT0 2357 TIP3 H2 HT 0.417000 1.0080 0 + 3599 WT0 2358 TIP3 OH2 OT -0.834000 15.9994 0 + 3600 WT0 2358 TIP3 H1 HT 0.417000 1.0080 0 + 3601 WT0 2358 TIP3 H2 HT 0.417000 1.0080 0 + 3602 WT0 2359 TIP3 OH2 OT -0.834000 15.9994 0 + 3603 WT0 2359 TIP3 H1 HT 0.417000 1.0080 0 + 3604 WT0 2359 TIP3 H2 HT 0.417000 1.0080 0 + 3605 WT0 2361 TIP3 OH2 OT -0.834000 15.9994 0 + 3606 WT0 2361 TIP3 H1 HT 0.417000 1.0080 0 + 3607 WT0 2361 TIP3 H2 HT 0.417000 1.0080 0 + 3608 WT0 2362 TIP3 OH2 OT 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2377 TIP3 H1 HT 0.417000 1.0080 0 + 3631 WT0 2377 TIP3 H2 HT 0.417000 1.0080 0 + 3632 WT0 2380 TIP3 OH2 OT -0.834000 15.9994 0 + 3633 WT0 2380 TIP3 H1 HT 0.417000 1.0080 0 + 3634 WT0 2380 TIP3 H2 HT 0.417000 1.0080 0 + 3635 WT0 2383 TIP3 OH2 OT -0.834000 15.9994 0 + 3636 WT0 2383 TIP3 H1 HT 0.417000 1.0080 0 + 3637 WT0 2383 TIP3 H2 HT 0.417000 1.0080 0 + 3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3674 WT0 2406 TIP3 OH2 OT -0.834000 15.9994 0 + 3675 WT0 2406 TIP3 H1 HT 0.417000 1.0080 0 + 3676 WT0 2406 TIP3 H2 HT 0.417000 1.0080 0 + 3677 WT0 2407 TIP3 OH2 OT -0.834000 15.9994 0 + 3678 WT0 2407 TIP3 H1 HT 0.417000 1.0080 0 + 3679 WT0 2407 TIP3 H2 HT 0.417000 1.0080 0 + 3680 WT0 2408 TIP3 OH2 OT -0.834000 15.9994 0 + 3681 WT0 2408 TIP3 H1 HT 0.417000 1.0080 0 + 3682 WT0 2408 TIP3 H2 HT 0.417000 1.0080 0 + 3683 WT0 2409 TIP3 OH2 OT -0.834000 15.9994 0 + 3684 WT0 2409 TIP3 H1 HT 0.417000 1.0080 0 + 3685 WT0 2409 TIP3 H2 HT 0.417000 1.0080 0 + 3686 WT0 2411 TIP3 OH2 OT -0.834000 15.9994 0 + 3687 WT0 2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 + 3703 WT0 2421 TIP3 H2 HT 0.417000 1.0080 0 + 3704 WT0 2422 TIP3 OH2 OT -0.834000 15.9994 0 + 3705 WT0 2422 TIP3 H1 HT 0.417000 1.0080 0 + 3706 WT0 2422 TIP3 H2 HT 0.417000 1.0080 0 + 3707 WT0 2423 TIP3 OH2 OT -0.834000 15.9994 0 + 3708 WT0 2423 TIP3 H1 HT 0.417000 1.0080 0 + 3709 WT0 2423 TIP3 H2 HT 0.417000 1.0080 0 + 3710 WT0 2424 TIP3 OH2 OT -0.834000 15.9994 0 + 3711 WT0 2424 TIP3 H1 HT 0.417000 1.0080 0 + 3712 WT0 2424 TIP3 H2 HT 0.417000 1.0080 0 + 3713 WT0 2425 TIP3 OH2 OT -0.834000 15.9994 0 + 3714 WT0 2425 TIP3 H1 HT 0.417000 1.0080 0 + 3715 WT0 2425 TIP3 H2 HT 0.417000 1.0080 0 + 3716 WT0 2427 TIP3 OH2 OT -0.834000 15.9994 0 + 3717 WT0 2427 TIP3 H1 HT 0.417000 1.0080 0 + 3718 WT0 2427 TIP3 H2 HT 0.417000 1.0080 0 + 3719 WT0 2428 TIP3 OH2 OT -0.834000 15.9994 0 + 3720 WT0 2428 TIP3 H1 HT 0.417000 1.0080 0 + 3721 WT0 2428 TIP3 H2 HT 0.417000 1.0080 0 + 3722 WT0 2429 TIP3 OH2 OT -0.834000 15.9994 0 + 3723 WT0 2429 TIP3 H1 HT 0.417000 1.0080 0 + 3724 WT0 2429 TIP3 H2 HT 0.417000 1.0080 0 + 3725 WT0 2430 TIP3 OH2 OT -0.834000 15.9994 0 + 3726 WT0 2430 TIP3 H1 HT 0.417000 1.0080 0 + 3727 WT0 2430 TIP3 H2 HT 0.417000 1.0080 0 + 3728 WT0 2432 TIP3 OH2 OT -0.834000 15.9994 0 + 3729 WT0 2432 TIP3 H1 HT 0.417000 1.0080 0 + 3730 WT0 2432 TIP3 H2 HT 0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT 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2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3956 WT0 2617 TIP3 OH2 OT -0.834000 15.9994 0 + 3957 WT0 2617 TIP3 H1 HT 0.417000 1.0080 0 + 3958 WT0 2617 TIP3 H2 HT 0.417000 1.0080 0 + 3959 WT0 2618 TIP3 OH2 OT -0.834000 15.9994 0 + 3960 WT0 2618 TIP3 H1 HT 0.417000 1.0080 0 + 3961 WT0 2618 TIP3 H2 HT 0.417000 1.0080 0 + 3962 WT0 2628 TIP3 OH2 OT -0.834000 15.9994 0 + 3963 WT0 2628 TIP3 H1 HT 0.417000 1.0080 0 + 3964 WT0 2628 TIP3 H2 HT 0.417000 1.0080 0 + 3965 WT0 2634 TIP3 OH2 OT -0.834000 15.9994 0 + 3966 WT0 2634 TIP3 H1 HT 0.417000 1.0080 0 + 3967 WT0 2634 TIP3 H2 HT 0.417000 1.0080 0 + 3968 WT0 2635 TIP3 OH2 OT -0.834000 15.9994 0 + 3969 WT0 2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 + 3985 WT0 2650 TIP3 H2 HT 0.417000 1.0080 0 + 3986 WT0 2654 TIP3 OH2 OT -0.834000 15.9994 0 + 3987 WT0 2654 TIP3 H1 HT 0.417000 1.0080 0 + 3988 WT0 2654 TIP3 H2 HT 0.417000 1.0080 0 + 3989 WT0 2656 TIP3 OH2 OT -0.834000 15.9994 0 + 3990 WT0 2656 TIP3 H1 HT 0.417000 1.0080 0 + 3991 WT0 2656 TIP3 H2 HT 0.417000 1.0080 0 + 3992 WT0 2657 TIP3 OH2 OT -0.834000 15.9994 0 + 3993 WT0 2657 TIP3 H1 HT 0.417000 1.0080 0 + 3994 WT0 2657 TIP3 H2 HT 0.417000 1.0080 0 + 3995 WT0 2659 TIP3 OH2 OT -0.834000 15.9994 0 + 3996 WT0 2659 TIP3 H1 HT 0.417000 1.0080 0 + 3997 WT0 2659 TIP3 H2 HT 0.417000 1.0080 0 + 3998 WT0 2662 TIP3 OH2 OT -0.834000 15.9994 0 + 3999 WT0 2662 TIP3 H1 HT 0.417000 1.0080 0 + 4000 WT0 2662 TIP3 H2 HT 0.417000 1.0080 0 + 4001 WT0 2667 TIP3 OH2 OT -0.834000 15.9994 0 + 4002 WT0 2667 TIP3 H1 HT 0.417000 1.0080 0 + 4003 WT0 2667 TIP3 H2 HT 0.417000 1.0080 0 + 4004 WT0 2669 TIP3 OH2 OT -0.834000 15.9994 0 + 4005 WT0 2669 TIP3 H1 HT 0.417000 1.0080 0 + 4006 WT0 2669 TIP3 H2 HT 0.417000 1.0080 0 + 4007 WT0 2670 TIP3 OH2 OT -0.834000 15.9994 0 + 4008 WT0 2670 TIP3 H1 HT 0.417000 1.0080 0 + 4009 WT0 2670 TIP3 H2 HT 0.417000 1.0080 0 + 4010 WT0 2673 TIP3 OH2 OT -0.834000 15.9994 0 + 4011 WT0 2673 TIP3 H1 HT 0.417000 1.0080 0 + 4012 WT0 2673 TIP3 H2 HT 0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT 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2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4238 WT0 2806 TIP3 OH2 OT -0.834000 15.9994 0 + 4239 WT0 2806 TIP3 H1 HT 0.417000 1.0080 0 + 4240 WT0 2806 TIP3 H2 HT 0.417000 1.0080 0 + 4241 WT0 2807 TIP3 OH2 OT -0.834000 15.9994 0 + 4242 WT0 2807 TIP3 H1 HT 0.417000 1.0080 0 + 4243 WT0 2807 TIP3 H2 HT 0.417000 1.0080 0 + 4244 WT0 2808 TIP3 OH2 OT -0.834000 15.9994 0 + 4245 WT0 2808 TIP3 H1 HT 0.417000 1.0080 0 + 4246 WT0 2808 TIP3 H2 HT 0.417000 1.0080 0 + 4247 WT0 2809 TIP3 OH2 OT -0.834000 15.9994 0 + 4248 WT0 2809 TIP3 H1 HT 0.417000 1.0080 0 + 4249 WT0 2809 TIP3 H2 HT 0.417000 1.0080 0 + 4250 WT0 2815 TIP3 OH2 OT -0.834000 15.9994 0 + 4251 WT0 2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 + 4267 WT0 2824 TIP3 H2 HT 0.417000 1.0080 0 + 4268 WT0 2826 TIP3 OH2 OT -0.834000 15.9994 0 + 4269 WT0 2826 TIP3 H1 HT 0.417000 1.0080 0 + 4270 WT0 2826 TIP3 H2 HT 0.417000 1.0080 0 + 4271 WT0 2829 TIP3 OH2 OT -0.834000 15.9994 0 + 4272 WT0 2829 TIP3 H1 HT 0.417000 1.0080 0 + 4273 WT0 2829 TIP3 H2 HT 0.417000 1.0080 0 + 4274 WT0 2830 TIP3 OH2 OT -0.834000 15.9994 0 + 4275 WT0 2830 TIP3 H1 HT 0.417000 1.0080 0 + 4276 WT0 2830 TIP3 H2 HT 0.417000 1.0080 0 + 4277 WT0 2831 TIP3 OH2 OT -0.834000 15.9994 0 + 4278 WT0 2831 TIP3 H1 HT 0.417000 1.0080 0 + 4279 WT0 2831 TIP3 H2 HT 0.417000 1.0080 0 + 4280 WT0 2832 TIP3 OH2 OT -0.834000 15.9994 0 + 4281 WT0 2832 TIP3 H1 HT 0.417000 1.0080 0 + 4282 WT0 2832 TIP3 H2 HT 0.417000 1.0080 0 + 4283 WT0 2834 TIP3 OH2 OT -0.834000 15.9994 0 + 4284 WT0 2834 TIP3 H1 HT 0.417000 1.0080 0 + 4285 WT0 2834 TIP3 H2 HT 0.417000 1.0080 0 + 4286 WT0 2838 TIP3 OH2 OT -0.834000 15.9994 0 + 4287 WT0 2838 TIP3 H1 HT 0.417000 1.0080 0 + 4288 WT0 2838 TIP3 H2 HT 0.417000 1.0080 0 + 4289 WT0 2840 TIP3 OH2 OT -0.834000 15.9994 0 + 4290 WT0 2840 TIP3 H1 HT 0.417000 1.0080 0 + 4291 WT0 2840 TIP3 H2 HT 0.417000 1.0080 0 + 4292 WT0 2842 TIP3 OH2 OT -0.834000 15.9994 0 + 4293 WT0 2842 TIP3 H1 HT 0.417000 1.0080 0 + 4294 WT0 2842 TIP3 H2 HT 0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 4325 WT0 2860 TIP3 OH2 OT -0.834000 15.9994 0 + 4326 WT0 2860 TIP3 H1 HT 0.417000 1.0080 0 + 4327 WT0 2860 TIP3 H2 HT 0.417000 1.0080 0 + 4328 WT0 2861 TIP3 OH2 OT -0.834000 15.9994 0 + 4329 WT0 2861 TIP3 H1 HT 0.417000 1.0080 0 + 4330 WT0 2861 TIP3 H2 HT 0.417000 1.0080 0 + 4331 WT0 2863 TIP3 OH2 OT -0.834000 15.9994 0 + 4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 1.0080 0 + 4354 WT0 2878 TIP3 H2 HT 0.417000 1.0080 0 + 4355 WT0 2880 TIP3 OH2 OT -0.834000 15.9994 0 + 4356 WT0 2880 TIP3 H1 HT 0.417000 1.0080 0 + 4357 WT0 2880 TIP3 H2 HT 0.417000 1.0080 0 + 4358 WT0 2882 TIP3 OH2 OT -0.834000 15.9994 0 + 4359 WT0 2882 TIP3 H1 HT 0.417000 1.0080 0 + 4360 WT0 2882 TIP3 H2 HT 0.417000 1.0080 0 + 4361 WT0 2883 TIP3 OH2 OT -0.834000 15.9994 0 + 4362 WT0 2883 TIP3 H1 HT 0.417000 1.0080 0 + 4363 WT0 2883 TIP3 H2 HT 0.417000 1.0080 0 + 4364 WT0 2884 TIP3 OH2 OT -0.834000 15.9994 0 + 4365 WT0 2884 TIP3 H1 HT 0.417000 1.0080 0 + 4366 WT0 2884 TIP3 H2 HT 0.417000 1.0080 0 + 4367 WT0 2886 TIP3 OH2 OT -0.834000 15.9994 0 + 4368 WT0 2886 TIP3 H1 HT 0.417000 1.0080 0 + 4369 WT0 2886 TIP3 H2 HT 0.417000 1.0080 0 + 4370 WT0 2888 TIP3 OH2 OT -0.834000 15.9994 0 + 4371 WT0 2888 TIP3 H1 HT 0.417000 1.0080 0 + 4372 WT0 2888 TIP3 H2 HT 0.417000 1.0080 0 + 4373 WT0 2889 TIP3 OH2 OT -0.834000 15.9994 0 + 4374 WT0 2889 TIP3 H1 HT 0.417000 1.0080 0 + 4375 WT0 2889 TIP3 H2 HT 0.417000 1.0080 0 + 4376 WT0 2890 TIP3 OH2 OT -0.834000 15.9994 0 + 4377 WT0 2890 TIP3 H1 HT 0.417000 1.0080 0 + 4378 WT0 2890 TIP3 H2 HT 0.417000 1.0080 0 + 4379 WT0 2891 TIP3 OH2 OT -0.834000 15.9994 0 + 4380 WT0 2891 TIP3 H1 HT 0.417000 1.0080 0 + 4381 WT0 2891 TIP3 H2 HT 0.417000 1.0080 0 + 4382 WT0 2893 TIP3 OH2 OT -0.834000 15.9994 0 + 4383 WT0 2893 TIP3 H1 HT 0.417000 1.0080 0 + 4384 WT0 2893 TIP3 H2 HT 0.417000 1.0080 0 + 4385 WT0 2894 TIP3 OH2 OT -0.834000 15.9994 0 + 4386 WT0 2894 TIP3 H1 HT 0.417000 1.0080 0 + 4387 WT0 2894 TIP3 H2 HT 0.417000 1.0080 0 + 4388 WT0 2897 TIP3 OH2 OT -0.834000 15.9994 0 + 4389 WT0 2897 TIP3 H1 HT 0.417000 1.0080 0 + 4390 WT0 2897 TIP3 H2 HT 0.417000 1.0080 0 + 4391 WT0 2899 TIP3 OH2 OT -0.834000 15.9994 0 + 4392 WT0 2899 TIP3 H1 HT 0.417000 1.0080 0 + 4393 WT0 2899 TIP3 H2 HT 0.417000 1.0080 0 + 4394 WT0 2900 TIP3 OH2 OT -0.834000 15.9994 0 + 4395 WT0 2900 TIP3 H1 HT 0.417000 1.0080 0 + 4396 WT0 2900 TIP3 H2 HT 0.417000 1.0080 0 + 4397 WT0 2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 0 + 4419 WT0 2911 TIP3 H1 HT 0.417000 1.0080 0 + 4420 WT0 2911 TIP3 H2 HT 0.417000 1.0080 0 + 4421 WT0 2913 TIP3 OH2 OT -0.834000 15.9994 0 + 4422 WT0 2913 TIP3 H1 HT 0.417000 1.0080 0 + 4423 WT0 2913 TIP3 H2 HT 0.417000 1.0080 0 + 4424 WT0 2918 TIP3 OH2 OT -0.834000 15.9994 0 + 4425 WT0 2918 TIP3 H1 HT 0.417000 1.0080 0 + 4426 WT0 2918 TIP3 H2 HT 0.417000 1.0080 0 + 4427 WT0 2919 TIP3 OH2 OT -0.834000 15.9994 0 + 4428 WT0 2919 TIP3 H1 HT 0.417000 1.0080 0 + 4429 WT0 2919 TIP3 H2 HT 0.417000 1.0080 0 + 4430 WT0 2922 TIP3 OH2 OT -0.834000 15.9994 0 + 4431 WT0 2922 TIP3 H1 HT 0.417000 1.0080 0 + 4432 WT0 2922 TIP3 H2 HT 0.417000 1.0080 0 + 4433 WT0 2923 TIP3 OH2 OT -0.834000 15.9994 0 + 4434 WT0 2923 TIP3 H1 HT 0.417000 1.0080 0 + 4435 WT0 2923 TIP3 H2 HT 0.417000 1.0080 0 + 4436 WT0 2925 TIP3 OH2 OT -0.834000 15.9994 0 + 4437 WT0 2925 TIP3 H1 HT 0.417000 1.0080 0 + 4438 WT0 2925 TIP3 H2 HT 0.417000 1.0080 0 + 4439 WT0 2927 TIP3 OH2 OT -0.834000 15.9994 0 + 4440 WT0 2927 TIP3 H1 HT 0.417000 1.0080 0 + 4441 WT0 2927 TIP3 H2 HT 0.417000 1.0080 0 + 4442 WT0 2928 TIP3 OH2 OT -0.834000 15.9994 0 + 4443 WT0 2928 TIP3 H1 HT 0.417000 1.0080 0 + 4444 WT0 2928 TIP3 H2 HT 0.417000 1.0080 0 + 4445 WT0 2929 TIP3 OH2 OT -0.834000 15.9994 0 + 4446 WT0 2929 TIP3 H1 HT 0.417000 1.0080 0 + 4447 WT0 2929 TIP3 H2 HT 0.417000 1.0080 0 + 4448 WT0 2930 TIP3 OH2 OT -0.834000 15.9994 0 + 4449 WT0 2930 TIP3 H1 HT 0.417000 1.0080 0 + 4450 WT0 2930 TIP3 H2 HT 0.417000 1.0080 0 + 4451 WT0 2932 TIP3 OH2 OT -0.834000 15.9994 0 + 4452 WT0 2932 TIP3 H1 HT 0.417000 1.0080 0 + 4453 WT0 2932 TIP3 H2 HT 0.417000 1.0080 0 + 4454 WT0 2933 TIP3 OH2 OT 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2951 TIP3 H1 HT 0.417000 1.0080 0 + 4477 WT0 2951 TIP3 H2 HT 0.417000 1.0080 0 + 4478 WT0 2952 TIP3 OH2 OT -0.834000 15.9994 0 + 4479 WT0 2952 TIP3 H1 HT 0.417000 1.0080 0 + 4480 WT0 2952 TIP3 H2 HT 0.417000 1.0080 0 + 4481 WT0 2953 TIP3 OH2 OT -0.834000 15.9994 0 + 4482 WT0 2953 TIP3 H1 HT 0.417000 1.0080 0 + 4483 WT0 2953 TIP3 H2 HT 0.417000 1.0080 0 + 4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4520 WT0 2983 TIP3 OH2 OT -0.834000 15.9994 0 + 4521 WT0 2983 TIP3 H1 HT 0.417000 1.0080 0 + 4522 WT0 2983 TIP3 H2 HT 0.417000 1.0080 0 + 4523 WT0 2986 TIP3 OH2 OT -0.834000 15.9994 0 + 4524 WT0 2986 TIP3 H1 HT 0.417000 1.0080 0 + 4525 WT0 2986 TIP3 H2 HT 0.417000 1.0080 0 + 4526 WT0 2988 TIP3 OH2 OT -0.834000 15.9994 0 + 4527 WT0 2988 TIP3 H1 HT 0.417000 1.0080 0 + 4528 WT0 2988 TIP3 H2 HT 0.417000 1.0080 0 + 4529 WT0 2989 TIP3 OH2 OT -0.834000 15.9994 0 + 4530 WT0 2989 TIP3 H1 HT 0.417000 1.0080 0 + 4531 WT0 2989 TIP3 H2 HT 0.417000 1.0080 0 + 4532 WT0 2991 TIP3 OH2 OT -0.834000 15.9994 0 + 4533 WT0 2991 TIP3 H1 HT 0.417000 1.0080 0 + 4534 WT0 2991 TIP3 H2 HT 0.417000 1.0080 0 + 4535 WT0 2992 TIP3 OH2 OT -0.834000 15.9994 0 + 4536 WT0 2992 TIP3 H1 HT 0.417000 1.0080 0 + 4537 WT0 2992 TIP3 H2 HT 0.417000 1.0080 0 + 4538 WT0 2993 TIP3 OH2 OT -0.834000 15.9994 0 + 4539 WT0 2993 TIP3 H1 HT 0.417000 1.0080 0 + 4540 WT0 2993 TIP3 H2 HT 0.417000 1.0080 0 + 4541 WT0 2994 TIP3 OH2 OT -0.834000 15.9994 0 + 4542 WT0 2994 TIP3 H1 HT 0.417000 1.0080 0 + 4543 WT0 2994 TIP3 H2 HT 0.417000 1.0080 0 + 4544 WT0 2996 TIP3 OH2 OT -0.834000 15.9994 0 + 4545 WT0 2996 TIP3 H1 HT 0.417000 1.0080 0 + 4546 WT0 2996 TIP3 H2 HT 0.417000 1.0080 0 + 4547 WT0 3006 TIP3 OH2 OT -0.834000 15.9994 0 + 4548 WT0 3006 TIP3 H1 HT 0.417000 1.0080 0 + 4549 WT0 3006 TIP3 H2 HT 0.417000 1.0080 0 + 4550 WT0 3010 TIP3 OH2 OT -0.834000 15.9994 0 + 4551 WT0 3010 TIP3 H1 HT 0.417000 1.0080 0 + 4552 WT0 3010 TIP3 H2 HT 0.417000 1.0080 0 + 4553 WT0 3011 TIP3 OH2 OT -0.834000 15.9994 0 + 4554 WT0 3011 TIP3 H1 HT 0.417000 1.0080 0 + 4555 WT0 3011 TIP3 H2 HT 0.417000 1.0080 0 + 4556 WT0 3012 TIP3 OH2 OT -0.834000 15.9994 0 + 4557 WT0 3012 TIP3 H1 HT 0.417000 1.0080 0 + 4558 WT0 3012 TIP3 H2 HT 0.417000 1.0080 0 + 4559 WT0 3013 TIP3 OH2 OT -0.834000 15.9994 0 + 4560 WT0 3013 TIP3 H1 HT 0.417000 1.0080 0 + 4561 WT0 3013 TIP3 H2 HT 0.417000 1.0080 0 + 4562 WT0 3016 TIP3 OH2 OT -0.834000 15.9994 0 + 4563 WT0 3016 TIP3 H1 HT 0.417000 1.0080 0 + 4564 WT0 3016 TIP3 H2 HT 0.417000 1.0080 0 + 4565 WT0 3017 TIP3 OH2 OT -0.834000 15.9994 0 + 4566 WT0 3017 TIP3 H1 HT 0.417000 1.0080 0 + 4567 WT0 3017 TIP3 H2 HT 0.417000 1.0080 0 + 4568 WT0 3022 TIP3 OH2 OT -0.834000 15.9994 0 + 4569 WT0 3022 TIP3 H1 HT 0.417000 1.0080 0 + 4570 WT0 3022 TIP3 H2 HT 0.417000 1.0080 0 + 4571 WT0 3027 TIP3 OH2 OT -0.834000 15.9994 0 + 4572 WT0 3027 TIP3 H1 HT 0.417000 1.0080 0 + 4573 WT0 3027 TIP3 H2 HT 0.417000 1.0080 0 + 4574 WT0 3029 TIP3 OH2 OT -0.834000 15.9994 0 + 4575 WT0 3029 TIP3 H1 HT 0.417000 1.0080 0 + 4576 WT0 3029 TIP3 H2 HT 0.417000 1.0080 0 + 4577 WT0 3030 TIP3 OH2 OT -0.834000 15.9994 0 + 4578 WT0 3030 TIP3 H1 HT 0.417000 1.0080 0 + 4579 WT0 3030 TIP3 H2 HT 0.417000 1.0080 0 + 4580 WT0 3031 TIP3 OH2 OT -0.834000 15.9994 0 + 4581 WT0 3031 TIP3 H1 HT 0.417000 1.0080 0 + 4582 WT0 3031 TIP3 H2 HT 0.417000 1.0080 0 + 4583 WT0 3033 TIP3 OH2 OT -0.834000 15.9994 0 + 4584 WT0 3033 TIP3 H1 HT 0.417000 1.0080 0 + 4585 WT0 3033 TIP3 H2 HT 0.417000 1.0080 0 + 4586 WT0 3037 TIP3 OH2 OT -0.834000 15.9994 0 + 4587 WT0 3037 TIP3 H1 HT 0.417000 1.0080 0 + 4588 WT0 3037 TIP3 H2 HT 0.417000 1.0080 0 + 4589 WT0 3046 TIP3 OH2 OT -0.834000 15.9994 0 + 4590 WT0 3046 TIP3 H1 HT 0.417000 1.0080 0 + 4591 WT0 3046 TIP3 H2 HT 0.417000 1.0080 0 + 4592 WT0 3048 TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT 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3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4802 WT0 3197 TIP3 OH2 OT -0.834000 15.9994 0 + 4803 WT0 3197 TIP3 H1 HT 0.417000 1.0080 0 + 4804 WT0 3197 TIP3 H2 HT 0.417000 1.0080 0 + 4805 WT0 3198 TIP3 OH2 OT -0.834000 15.9994 0 + 4806 WT0 3198 TIP3 H1 HT 0.417000 1.0080 0 + 4807 WT0 3198 TIP3 H2 HT 0.417000 1.0080 0 + 4808 WT0 3203 TIP3 OH2 OT -0.834000 15.9994 0 + 4809 WT0 3203 TIP3 H1 HT 0.417000 1.0080 0 + 4810 WT0 3203 TIP3 H2 HT 0.417000 1.0080 0 + 4811 WT0 3205 TIP3 OH2 OT -0.834000 15.9994 0 + 4812 WT0 3205 TIP3 H1 HT 0.417000 1.0080 0 + 4813 WT0 3205 TIP3 H2 HT 0.417000 1.0080 0 + 4814 WT0 3207 TIP3 OH2 OT -0.834000 15.9994 0 + 4815 WT0 3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 + 4831 WT0 3221 TIP3 H2 HT 0.417000 1.0080 0 + 4832 WT0 3223 TIP3 OH2 OT -0.834000 15.9994 0 + 4833 WT0 3223 TIP3 H1 HT 0.417000 1.0080 0 + 4834 WT0 3223 TIP3 H2 HT 0.417000 1.0080 0 + 4835 WT0 3224 TIP3 OH2 OT -0.834000 15.9994 0 + 4836 WT0 3224 TIP3 H1 HT 0.417000 1.0080 0 + 4837 WT0 3224 TIP3 H2 HT 0.417000 1.0080 0 + 4838 WT0 3225 TIP3 OH2 OT -0.834000 15.9994 0 + 4839 WT0 3225 TIP3 H1 HT 0.417000 1.0080 0 + 4840 WT0 3225 TIP3 H2 HT 0.417000 1.0080 0 + 4841 WT0 3226 TIP3 OH2 OT -0.834000 15.9994 0 + 4842 WT0 3226 TIP3 H1 HT 0.417000 1.0080 0 + 4843 WT0 3226 TIP3 H2 HT 0.417000 1.0080 0 + 4844 WT0 3227 TIP3 OH2 OT -0.834000 15.9994 0 + 4845 WT0 3227 TIP3 H1 HT 0.417000 1.0080 0 + 4846 WT0 3227 TIP3 H2 HT 0.417000 1.0080 0 + 4847 WT0 3228 TIP3 OH2 OT -0.834000 15.9994 0 + 4848 WT0 3228 TIP3 H1 HT 0.417000 1.0080 0 + 4849 WT0 3228 TIP3 H2 HT 0.417000 1.0080 0 + 4850 WT0 3233 TIP3 OH2 OT -0.834000 15.9994 0 + 4851 WT0 3233 TIP3 H1 HT 0.417000 1.0080 0 + 4852 WT0 3233 TIP3 H2 HT 0.417000 1.0080 0 + 4853 WT0 3234 TIP3 OH2 OT -0.834000 15.9994 0 + 4854 WT0 3234 TIP3 H1 HT 0.417000 1.0080 0 + 4855 WT0 3234 TIP3 H2 HT 0.417000 1.0080 0 + 4856 WT0 3236 TIP3 OH2 OT -0.834000 15.9994 0 + 4857 WT0 3236 TIP3 H1 HT 0.417000 1.0080 0 + 4858 WT0 3236 TIP3 H2 HT 0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 + 5113 WT0 3390 TIP3 H2 HT 0.417000 1.0080 0 + 5114 WT0 3392 TIP3 OH2 OT -0.834000 15.9994 0 + 5115 WT0 3392 TIP3 H1 HT 0.417000 1.0080 0 + 5116 WT0 3392 TIP3 H2 HT 0.417000 1.0080 0 + 5117 WT0 3393 TIP3 OH2 OT -0.834000 15.9994 0 + 5118 WT0 3393 TIP3 H1 HT 0.417000 1.0080 0 + 5119 WT0 3393 TIP3 H2 HT 0.417000 1.0080 0 + 5120 WT0 3396 TIP3 OH2 OT -0.834000 15.9994 0 + 5121 WT0 3396 TIP3 H1 HT 0.417000 1.0080 0 + 5122 WT0 3396 TIP3 H2 HT 0.417000 1.0080 0 + 5123 WT0 3397 TIP3 OH2 OT -0.834000 15.9994 0 + 5124 WT0 3397 TIP3 H1 HT 0.417000 1.0080 0 + 5125 WT0 3397 TIP3 H2 HT 0.417000 1.0080 0 + 5126 WT0 3401 TIP3 OH2 OT -0.834000 15.9994 0 + 5127 WT0 3401 TIP3 H1 HT 0.417000 1.0080 0 + 5128 WT0 3401 TIP3 H2 HT 0.417000 1.0080 0 + 5129 WT0 3402 TIP3 OH2 OT -0.834000 15.9994 0 + 5130 WT0 3402 TIP3 H1 HT 0.417000 1.0080 0 + 5131 WT0 3402 TIP3 H2 HT 0.417000 1.0080 0 + 5132 WT0 3404 TIP3 OH2 OT -0.834000 15.9994 0 + 5133 WT0 3404 TIP3 H1 HT 0.417000 1.0080 0 + 5134 WT0 3404 TIP3 H2 HT 0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 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5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT 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3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 + 5416 WT0 3628 TIP3 H2 HT 0.417000 1.0080 0 + 5417 WT0 3629 TIP3 OH2 OT -0.834000 15.9994 0 + 5418 WT0 3629 TIP3 H1 HT 0.417000 1.0080 0 + 5419 WT0 3629 TIP3 H2 HT 0.417000 1.0080 0 + 5420 WT0 3633 TIP3 OH2 OT -0.834000 15.9994 0 + 5421 WT0 3633 TIP3 H1 HT 0.417000 1.0080 0 + 5422 WT0 3633 TIP3 H2 HT 0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 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3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 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TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 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5973 WT0 4018 TIP3 H1 HT 0.417000 1.0080 0 + 5974 WT0 4018 TIP3 H2 HT 0.417000 1.0080 0 + 5975 WT0 4019 TIP3 OH2 OT -0.834000 15.9994 0 + 5976 WT0 4019 TIP3 H1 HT 0.417000 1.0080 0 + 5977 WT0 4019 TIP3 H2 HT 0.417000 1.0080 0 + 5978 WT0 4021 TIP3 OH2 OT -0.834000 15.9994 0 + 5979 WT0 4021 TIP3 H1 HT 0.417000 1.0080 0 + 5980 WT0 4021 TIP3 H2 HT 0.417000 1.0080 0 + 5981 WT0 4022 TIP3 OH2 OT -0.834000 15.9994 0 + 5982 WT0 4022 TIP3 H1 HT 0.417000 1.0080 0 + 5983 WT0 4022 TIP3 H2 HT 0.417000 1.0080 0 + 5984 WT0 4026 TIP3 OH2 OT -0.834000 15.9994 0 + 5985 WT0 4026 TIP3 H1 HT 0.417000 1.0080 0 + 5986 WT0 4026 TIP3 H2 HT 0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 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4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 1.0080 0 + 6046 WT0 4063 TIP3 H2 HT 0.417000 1.0080 0 + 6047 WT0 4064 TIP3 OH2 OT -0.834000 15.9994 0 + 6048 WT0 4064 TIP3 H1 HT 0.417000 1.0080 0 + 6049 WT0 4064 TIP3 H2 HT 0.417000 1.0080 0 + 6050 WT0 4065 TIP3 OH2 OT -0.834000 15.9994 0 + 6051 WT0 4065 TIP3 H1 HT 0.417000 1.0080 0 + 6052 WT0 4065 TIP3 H2 HT 0.417000 1.0080 0 + 6053 WT0 4067 TIP3 OH2 OT -0.834000 15.9994 0 + 6054 WT0 4067 TIP3 H1 HT 0.417000 1.0080 0 + 6055 WT0 4067 TIP3 H2 HT 0.417000 1.0080 0 + 6056 WT0 4068 TIP3 OH2 OT -0.834000 15.9994 0 + 6057 WT0 4068 TIP3 H1 HT 0.417000 1.0080 0 + 6058 WT0 4068 TIP3 H2 HT 0.417000 1.0080 0 + 6059 WT0 4072 TIP3 OH2 OT -0.834000 15.9994 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6125 WT0 4107 TIP3 OH2 OT -0.834000 15.9994 0 + 6126 WT0 4107 TIP3 H1 HT 0.417000 1.0080 0 + 6127 WT0 4107 TIP3 H2 HT 0.417000 1.0080 0 + 6128 WT0 4108 TIP3 OH2 OT -0.834000 15.9994 0 + 6129 WT0 4108 TIP3 H1 HT 0.417000 1.0080 0 + 6130 WT0 4108 TIP3 H2 HT 0.417000 1.0080 0 + 6131 WT0 4109 TIP3 OH2 OT -0.834000 15.9994 0 + 6132 WT0 4109 TIP3 H1 HT 0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT 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6537 WT0 4421 TIP3 H1 HT 0.417000 1.0080 0 + 6538 WT0 4421 TIP3 H2 HT 0.417000 1.0080 0 + 6539 WT0 4422 TIP3 OH2 OT -0.834000 15.9994 0 + 6540 WT0 4422 TIP3 H1 HT 0.417000 1.0080 0 + 6541 WT0 4422 TIP3 H2 HT 0.417000 1.0080 0 + 6542 WT0 4432 TIP3 OH2 OT -0.834000 15.9994 0 + 6543 WT0 4432 TIP3 H1 HT 0.417000 1.0080 0 + 6544 WT0 4432 TIP3 H2 HT 0.417000 1.0080 0 + 6545 WT0 4434 TIP3 OH2 OT -0.834000 15.9994 0 + 6546 WT0 4434 TIP3 H1 HT 0.417000 1.0080 0 + 6547 WT0 4434 TIP3 H2 HT 0.417000 1.0080 0 + 6548 WT0 4437 TIP3 OH2 OT -0.834000 15.9994 0 + 6549 WT0 4437 TIP3 H1 HT 0.417000 1.0080 0 + 6550 WT0 4437 TIP3 H2 HT 0.417000 1.0080 0 + 6551 WT0 4441 TIP3 OH2 OT -0.834000 15.9994 0 + 6552 WT0 4441 TIP3 H1 HT 0.417000 1.0080 0 + 6553 WT0 4441 TIP3 H2 HT 0.417000 1.0080 0 + 6554 WT0 4442 TIP3 OH2 OT -0.834000 15.9994 0 + 6555 WT0 4442 TIP3 H1 HT 0.417000 1.0080 0 + 6556 WT0 4442 TIP3 H2 HT 0.417000 1.0080 0 + 6557 WT0 4443 TIP3 OH2 OT -0.834000 15.9994 0 + 6558 WT0 4443 TIP3 H1 HT 0.417000 1.0080 0 + 6559 WT0 4443 TIP3 H2 HT 0.417000 1.0080 0 + 6560 WT0 4446 TIP3 OH2 OT -0.834000 15.9994 0 + 6561 WT0 4446 TIP3 H1 HT 0.417000 1.0080 0 + 6562 WT0 4446 TIP3 H2 HT 0.417000 1.0080 0 + 6563 WT0 4451 TIP3 OH2 OT -0.834000 15.9994 0 + 6564 WT0 4451 TIP3 H1 HT 0.417000 1.0080 0 + 6565 WT0 4451 TIP3 H2 HT 0.417000 1.0080 0 + 6566 WT0 4453 TIP3 OH2 OT -0.834000 15.9994 0 + 6567 WT0 4453 TIP3 H1 HT 0.417000 1.0080 0 + 6568 WT0 4453 TIP3 H2 HT 0.417000 1.0080 0 + 6569 WT0 4455 TIP3 OH2 OT -0.834000 15.9994 0 + 6570 WT0 4455 TIP3 H1 HT 0.417000 1.0080 0 + 6571 WT0 4455 TIP3 H2 HT 0.417000 1.0080 0 + 6572 WT0 4456 TIP3 OH2 OT -0.834000 15.9994 0 + 6573 WT0 4456 TIP3 H1 HT 0.417000 1.0080 0 + 6574 WT0 4456 TIP3 H2 HT 0.417000 1.0080 0 + 6575 WT0 4457 TIP3 OH2 OT -0.834000 15.9994 0 + 6576 WT0 4457 TIP3 H1 HT 0.417000 1.0080 0 + 6577 WT0 4457 TIP3 H2 HT 0.417000 1.0080 0 + 6578 WT0 4459 TIP3 OH2 OT -0.834000 15.9994 0 + 6579 WT0 4459 TIP3 H1 HT 0.417000 1.0080 0 + 6580 WT0 4459 TIP3 H2 HT 0.417000 1.0080 0 + 6581 WT0 4460 TIP3 OH2 OT -0.834000 15.9994 0 + 6582 WT0 4460 TIP3 H1 HT 0.417000 1.0080 0 + 6583 WT0 4460 TIP3 H2 HT 0.417000 1.0080 0 + 6584 WT0 4461 TIP3 OH2 OT -0.834000 15.9994 0 + 6585 WT0 4461 TIP3 H1 HT 0.417000 1.0080 0 + 6586 WT0 4461 TIP3 H2 HT 0.417000 1.0080 0 + 6587 WT0 4462 TIP3 OH2 OT -0.834000 15.9994 0 + 6588 WT0 4462 TIP3 H1 HT 0.417000 1.0080 0 + 6589 WT0 4462 TIP3 H2 HT 0.417000 1.0080 0 + 6590 WT0 4463 TIP3 OH2 OT -0.834000 15.9994 0 + 6591 WT0 4463 TIP3 H1 HT 0.417000 1.0080 0 + 6592 WT0 4463 TIP3 H2 HT 0.417000 1.0080 0 + 6593 WT0 4465 TIP3 OH2 OT -0.834000 15.9994 0 + 6594 WT0 4465 TIP3 H1 HT 0.417000 1.0080 0 + 6595 WT0 4465 TIP3 H2 HT 0.417000 1.0080 0 + 6596 WT0 4466 TIP3 OH2 OT -0.834000 15.9994 0 + 6597 WT0 4466 TIP3 H1 HT 0.417000 1.0080 0 + 6598 WT0 4466 TIP3 H2 HT 0.417000 1.0080 0 + 6599 WT0 4469 TIP3 OH2 OT -0.834000 15.9994 0 + 6600 WT0 4469 TIP3 H1 HT 0.417000 1.0080 0 + 6601 WT0 4469 TIP3 H2 HT 0.417000 1.0080 0 + 6602 WT0 4470 TIP3 OH2 OT -0.834000 15.9994 0 + 6603 WT0 4470 TIP3 H1 HT 0.417000 1.0080 0 + 6604 WT0 4470 TIP3 H2 HT 0.417000 1.0080 0 + 6605 WT0 4473 TIP3 OH2 OT -0.834000 15.9994 0 + 6606 WT0 4473 TIP3 H1 HT 0.417000 1.0080 0 + 6607 WT0 4473 TIP3 H2 HT 0.417000 1.0080 0 + 6608 WT0 4474 TIP3 OH2 OT -0.834000 15.9994 0 + 6609 WT0 4474 TIP3 H1 HT 0.417000 1.0080 0 + 6610 WT0 4474 TIP3 H2 HT 0.417000 1.0080 0 + 6611 WT0 4477 TIP3 OH2 OT -0.834000 15.9994 0 + 6612 WT0 4477 TIP3 H1 HT 0.417000 1.0080 0 + 6613 WT0 4477 TIP3 H2 HT 0.417000 1.0080 0 + 6614 WT0 4478 TIP3 OH2 OT -0.834000 15.9994 0 + 6615 WT0 4478 TIP3 H1 HT 0.417000 1.0080 0 + 6616 WT0 4478 TIP3 H2 HT 0.417000 1.0080 0 + 6617 WT0 4479 TIP3 OH2 OT -0.834000 15.9994 0 + 6618 WT0 4479 TIP3 H1 HT 0.417000 1.0080 0 + 6619 WT0 4479 TIP3 H2 HT 0.417000 1.0080 0 + 6620 WT0 4482 TIP3 OH2 OT -0.834000 15.9994 0 + 6621 WT0 4482 TIP3 H1 HT 0.417000 1.0080 0 + 6622 WT0 4482 TIP3 H2 HT 0.417000 1.0080 0 + 6623 WT0 4483 TIP3 OH2 OT -0.834000 15.9994 0 + 6624 WT0 4483 TIP3 H1 HT 0.417000 1.0080 0 + 6625 WT0 4483 TIP3 H2 HT 0.417000 1.0080 0 + 6626 WT0 4485 TIP3 OH2 OT -0.834000 15.9994 0 + 6627 WT0 4485 TIP3 H1 HT 0.417000 1.0080 0 + 6628 WT0 4485 TIP3 H2 HT 0.417000 1.0080 0 + 6629 WT0 4494 TIP3 OH2 OT -0.834000 15.9994 0 + 6630 WT0 4494 TIP3 H1 HT 0.417000 1.0080 0 + 6631 WT0 4494 TIP3 H2 HT 0.417000 1.0080 0 + 6632 WT0 4496 TIP3 OH2 OT -0.834000 15.9994 0 + 6633 WT0 4496 TIP3 H1 HT 0.417000 1.0080 0 + 6634 WT0 4496 TIP3 H2 HT 0.417000 1.0080 0 + 6635 WT0 4497 TIP3 OH2 OT -0.834000 15.9994 0 + 6636 WT0 4497 TIP3 H1 HT 0.417000 1.0080 0 + 6637 WT0 4497 TIP3 H2 HT 0.417000 1.0080 0 + 6638 WT0 4498 TIP3 OH2 OT -0.834000 15.9994 0 + 6639 WT0 4498 TIP3 H1 HT 0.417000 1.0080 0 + 6640 WT0 4498 TIP3 H2 HT 0.417000 1.0080 0 + 6641 WT0 4500 TIP3 OH2 OT -0.834000 15.9994 0 + 6642 WT0 4500 TIP3 H1 HT 0.417000 1.0080 0 + 6643 WT0 4500 TIP3 H2 HT 0.417000 1.0080 0 + 6644 WT0 4501 TIP3 OH2 OT -0.834000 15.9994 0 + 6645 WT0 4501 TIP3 H1 HT 0.417000 1.0080 0 + 6646 WT0 4501 TIP3 H2 HT 0.417000 1.0080 0 + 6647 WT0 4502 TIP3 OH2 OT -0.834000 15.9994 0 + 6648 WT0 4502 TIP3 H1 HT 0.417000 1.0080 0 + 6649 WT0 4502 TIP3 H2 HT 0.417000 1.0080 0 + 6650 WT0 4504 TIP3 OH2 OT -0.834000 15.9994 0 + 6651 WT0 4504 TIP3 H1 HT 0.417000 1.0080 0 + 6652 WT0 4504 TIP3 H2 HT 0.417000 1.0080 0 + 6653 WT0 4505 TIP3 OH2 OT -0.834000 15.9994 0 + 6654 WT0 4505 TIP3 H1 HT 0.417000 1.0080 0 + 6655 WT0 4505 TIP3 H2 HT 0.417000 1.0080 0 + 6656 WT0 4506 TIP3 OH2 OT -0.834000 15.9994 0 + 6657 WT0 4506 TIP3 H1 HT 0.417000 1.0080 0 + 6658 WT0 4506 TIP3 H2 HT 0.417000 1.0080 0 + 6659 WT0 4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 + 6664 WT0 4508 TIP3 H2 HT 0.417000 1.0080 0 + 6665 WT0 4509 TIP3 OH2 OT -0.834000 15.9994 0 + 6666 WT0 4509 TIP3 H1 HT 0.417000 1.0080 0 + 6667 WT0 4509 TIP3 H2 HT 0.417000 1.0080 0 + 6668 WT0 4513 TIP3 OH2 OT -0.834000 15.9994 0 + 6669 WT0 4513 TIP3 H1 HT 0.417000 1.0080 0 + 6670 WT0 4513 TIP3 H2 HT 0.417000 1.0080 0 + 6671 WT0 4515 TIP3 OH2 OT -0.834000 15.9994 0 + 6672 WT0 4515 TIP3 H1 HT 0.417000 1.0080 0 + 6673 WT0 4515 TIP3 H2 HT 0.417000 1.0080 0 + 6674 WT0 4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 0 + 6681 WT0 4518 TIP3 H1 HT 0.417000 1.0080 0 + 6682 WT0 4518 TIP3 H2 HT 0.417000 1.0080 0 + 6683 WT0 4519 TIP3 OH2 OT -0.834000 15.9994 0 + 6684 WT0 4519 TIP3 H1 HT 0.417000 1.0080 0 + 6685 WT0 4519 TIP3 H2 HT 0.417000 1.0080 0 + 6686 WT0 4520 TIP3 OH2 OT -0.834000 15.9994 0 + 6687 WT0 4520 TIP3 H1 HT 0.417000 1.0080 0 + 6688 WT0 4520 TIP3 H2 HT 0.417000 1.0080 0 + 6689 WT0 4522 TIP3 OH2 OT -0.834000 15.9994 0 + 6690 WT0 4522 TIP3 H1 HT 0.417000 1.0080 0 + 6691 WT0 4522 TIP3 H2 HT 0.417000 1.0080 0 + 6692 WT0 4523 TIP3 OH2 OT -0.834000 15.9994 0 + 6693 WT0 4523 TIP3 H1 HT 0.417000 1.0080 0 + 6694 WT0 4523 TIP3 H2 HT 0.417000 1.0080 0 + 6695 WT0 4525 TIP3 OH2 OT -0.834000 15.9994 0 + 6696 WT0 4525 TIP3 H1 HT 0.417000 1.0080 0 + 6697 WT0 4525 TIP3 H2 HT 0.417000 1.0080 0 + 6698 WT0 4526 TIP3 OH2 OT -0.834000 15.9994 0 + 6699 WT0 4526 TIP3 H1 HT 0.417000 1.0080 0 + 6700 WT0 4526 TIP3 H2 HT 0.417000 1.0080 0 + 6701 WT0 4527 TIP3 OH2 OT -0.834000 15.9994 0 + 6702 WT0 4527 TIP3 H1 HT 0.417000 1.0080 0 + 6703 WT0 4527 TIP3 H2 HT 0.417000 1.0080 0 + 6704 WT0 4528 TIP3 OH2 OT -0.834000 15.9994 0 + 6705 WT0 4528 TIP3 H1 HT 0.417000 1.0080 0 + 6706 WT0 4528 TIP3 H2 HT 0.417000 1.0080 0 + 6707 WT0 4529 TIP3 OH2 OT -0.834000 15.9994 0 + 6708 WT0 4529 TIP3 H1 HT 0.417000 1.0080 0 + 6709 WT0 4529 TIP3 H2 HT 0.417000 1.0080 0 + 6710 WT0 4531 TIP3 OH2 OT -0.834000 15.9994 0 + 6711 WT0 4531 TIP3 H1 HT 0.417000 1.0080 0 + 6712 WT0 4531 TIP3 H2 HT 0.417000 1.0080 0 + 6713 WT0 4532 TIP3 OH2 OT -0.834000 15.9994 0 + 6714 WT0 4532 TIP3 H1 HT 0.417000 1.0080 0 + 6715 WT0 4532 TIP3 H2 HT 0.417000 1.0080 0 + 6716 WT0 4536 TIP3 OH2 OT -0.834000 15.9994 0 + 6717 WT0 4536 TIP3 H1 HT 0.417000 1.0080 0 + 6718 WT0 4536 TIP3 H2 HT 0.417000 1.0080 0 + 6719 WT0 4537 TIP3 OH2 OT -0.834000 15.9994 0 + 6720 WT0 4537 TIP3 H1 HT 0.417000 1.0080 0 + 6721 WT0 4537 TIP3 H2 HT 0.417000 1.0080 0 + 6722 WT0 4538 TIP3 OH2 OT -0.834000 15.9994 0 + 6723 WT0 4538 TIP3 H1 HT 0.417000 1.0080 0 + 6724 WT0 4538 TIP3 H2 HT 0.417000 1.0080 0 + 6725 WT0 4540 TIP3 OH2 OT -0.834000 15.9994 0 + 6726 WT0 4540 TIP3 H1 HT 0.417000 1.0080 0 + 6727 WT0 4540 TIP3 H2 HT 0.417000 1.0080 0 + 6728 WT0 4541 TIP3 OH2 OT -0.834000 15.9994 0 + 6729 WT0 4541 TIP3 H1 HT 0.417000 1.0080 0 + 6730 WT0 4541 TIP3 H2 HT 0.417000 1.0080 0 + 6731 WT0 4543 TIP3 OH2 OT -0.834000 15.9994 0 + 6732 WT0 4543 TIP3 H1 HT 0.417000 1.0080 0 + 6733 WT0 4543 TIP3 H2 HT 0.417000 1.0080 0 + 6734 WT0 4544 TIP3 OH2 OT -0.834000 15.9994 0 + 6735 WT0 4544 TIP3 H1 HT 0.417000 1.0080 0 + 6736 WT0 4544 TIP3 H2 HT 0.417000 1.0080 0 + 6737 WT0 4545 TIP3 OH2 OT -0.834000 15.9994 0 + 6738 WT0 4545 TIP3 H1 HT 0.417000 1.0080 0 + 6739 WT0 4545 TIP3 H2 HT 0.417000 1.0080 0 + 6740 WT0 4546 TIP3 OH2 OT -0.834000 15.9994 0 + 6741 WT0 4546 TIP3 H1 HT 0.417000 1.0080 0 + 6742 WT0 4546 TIP3 H2 HT 0.417000 1.0080 0 + 6743 WT0 4547 TIP3 OH2 OT -0.834000 15.9994 0 + 6744 WT0 4547 TIP3 H1 HT 0.417000 1.0080 0 + 6745 WT0 4547 TIP3 H2 HT 0.417000 1.0080 0 + 6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 6776 WT0 4564 TIP3 OH2 OT -0.834000 15.9994 0 + 6777 WT0 4564 TIP3 H1 HT 0.417000 1.0080 0 + 6778 WT0 4564 TIP3 H2 HT 0.417000 1.0080 0 + 6779 WT0 4566 TIP3 OH2 OT -0.834000 15.9994 0 + 6780 WT0 4566 TIP3 H1 HT 0.417000 1.0080 0 + 6781 WT0 4566 TIP3 H2 HT 0.417000 1.0080 0 + 6782 WT0 4568 TIP3 OH2 OT -0.834000 15.9994 0 + 6783 WT0 4568 TIP3 H1 HT 0.417000 1.0080 0 + 6784 WT0 4568 TIP3 H2 HT 0.417000 1.0080 0 + 6785 WT0 4569 TIP3 OH2 OT -0.834000 15.9994 0 + 6786 WT0 4569 TIP3 H1 HT 0.417000 1.0080 0 + 6787 WT0 4569 TIP3 H2 HT 0.417000 1.0080 0 + 6788 WT0 4570 TIP3 OH2 OT -0.834000 15.9994 0 + 6789 WT0 4570 TIP3 H1 HT 0.417000 1.0080 0 + 6790 WT0 4570 TIP3 H2 HT 0.417000 1.0080 0 + 6791 WT0 4571 TIP3 OH2 OT -0.834000 15.9994 0 + 6792 WT0 4571 TIP3 H1 HT 0.417000 1.0080 0 + 6793 WT0 4571 TIP3 H2 HT 0.417000 1.0080 0 + 6794 WT0 4572 TIP3 OH2 OT -0.834000 15.9994 0 + 6795 WT0 4572 TIP3 H1 HT 0.417000 1.0080 0 + 6796 WT0 4572 TIP3 H2 HT 0.417000 1.0080 0 + 6797 WT0 4573 TIP3 OH2 OT -0.834000 15.9994 0 + 6798 WT0 4573 TIP3 H1 HT 0.417000 1.0080 0 + 6799 WT0 4573 TIP3 H2 HT 0.417000 1.0080 0 + 6800 WT0 4574 TIP3 OH2 OT -0.834000 15.9994 0 + 6801 WT0 4574 TIP3 H1 HT 0.417000 1.0080 0 + 6802 WT0 4574 TIP3 H2 HT 0.417000 1.0080 0 + 6803 WT0 4578 TIP3 OH2 OT -0.834000 15.9994 0 + 6804 WT0 4578 TIP3 H1 HT 0.417000 1.0080 0 + 6805 WT0 4578 TIP3 H2 HT 0.417000 1.0080 0 + 6806 WT0 4581 TIP3 OH2 OT -0.834000 15.9994 0 + 6807 WT0 4581 TIP3 H1 HT 0.417000 1.0080 0 + 6808 WT0 4581 TIP3 H2 HT 0.417000 1.0080 0 + 6809 WT0 4582 TIP3 OH2 OT -0.834000 15.9994 0 + 6810 WT0 4582 TIP3 H1 HT 0.417000 1.0080 0 + 6811 WT0 4582 TIP3 H2 HT 0.417000 1.0080 0 + 6812 WT0 4584 TIP3 OH2 OT -0.834000 15.9994 0 + 6813 WT0 4584 TIP3 H1 HT 0.417000 1.0080 0 + 6814 WT0 4584 TIP3 H2 HT 0.417000 1.0080 0 + 6815 WT0 4586 TIP3 OH2 OT -0.834000 15.9994 0 + 6816 WT0 4586 TIP3 H1 HT 0.417000 1.0080 0 + 6817 WT0 4586 TIP3 H2 HT 0.417000 1.0080 0 + 6818 WT0 4590 TIP3 OH2 OT -0.834000 15.9994 0 + 6819 WT0 4590 TIP3 H1 HT 0.417000 1.0080 0 + 6820 WT0 4590 TIP3 H2 HT 0.417000 1.0080 0 + 6821 WT0 4591 TIP3 OH2 OT -0.834000 15.9994 0 + 6822 WT0 4591 TIP3 H1 HT 0.417000 1.0080 0 + 6823 WT0 4591 TIP3 H2 HT 0.417000 1.0080 0 + 6824 WT0 4593 TIP3 OH2 OT -0.834000 15.9994 0 + 6825 WT0 4593 TIP3 H1 HT 0.417000 1.0080 0 + 6826 WT0 4593 TIP3 H2 HT 0.417000 1.0080 0 + 6827 WT0 4595 TIP3 OH2 OT -0.834000 15.9994 0 + 6828 WT0 4595 TIP3 H1 HT 0.417000 1.0080 0 + 6829 WT0 4595 TIP3 H2 HT 0.417000 1.0080 0 + 6830 WT0 4596 TIP3 OH2 OT -0.834000 15.9994 0 + 6831 WT0 4596 TIP3 H1 HT 0.417000 1.0080 0 + 6832 WT0 4596 TIP3 H2 HT 0.417000 1.0080 0 + 6833 WT0 4599 TIP3 OH2 OT -0.834000 15.9994 0 + 6834 WT0 4599 TIP3 H1 HT 0.417000 1.0080 0 + 6835 WT0 4599 TIP3 H2 HT 0.417000 1.0080 0 + 6836 WT0 4600 TIP3 OH2 OT -0.834000 15.9994 0 + 6837 WT0 4600 TIP3 H1 HT 0.417000 1.0080 0 + 6838 WT0 4600 TIP3 H2 HT 0.417000 1.0080 0 + 6839 WT0 4602 TIP3 OH2 OT -0.834000 15.9994 0 + 6840 WT0 4602 TIP3 H1 HT 0.417000 1.0080 0 + 6841 WT0 4602 TIP3 H2 HT 0.417000 1.0080 0 + 6842 WT0 4603 TIP3 OH2 OT -0.834000 15.9994 0 + 6843 WT0 4603 TIP3 H1 HT 0.417000 1.0080 0 + 6844 WT0 4603 TIP3 H2 HT 0.417000 1.0080 0 + 6845 WT0 4604 TIP3 OH2 OT -0.834000 15.9994 0 + 6846 WT0 4604 TIP3 H1 HT 0.417000 1.0080 0 + 6847 WT0 4604 TIP3 H2 HT 0.417000 1.0080 0 + 6848 WT0 4607 TIP3 OH2 OT -0.834000 15.9994 0 + 6849 WT0 4607 TIP3 H1 HT 0.417000 1.0080 0 + 6850 WT0 4607 TIP3 H2 HT 0.417000 1.0080 0 + 6851 WT0 4610 TIP3 OH2 OT -0.834000 15.9994 0 + 6852 WT0 4610 TIP3 H1 HT 0.417000 1.0080 0 + 6853 WT0 4610 TIP3 H2 HT 0.417000 1.0080 0 + 6854 WT0 4611 TIP3 OH2 OT -0.834000 15.9994 0 + 6855 WT0 4611 TIP3 H1 HT 0.417000 1.0080 0 + 6856 WT0 4611 TIP3 H2 HT 0.417000 1.0080 0 + 6857 WT0 4612 TIP3 OH2 OT -0.834000 15.9994 0 + 6858 WT0 4612 TIP3 H1 HT 0.417000 1.0080 0 + 6859 WT0 4612 TIP3 H2 HT 0.417000 1.0080 0 + 6860 WT0 4613 TIP3 OH2 OT -0.834000 15.9994 0 + 6861 WT0 4613 TIP3 H1 HT 0.417000 1.0080 0 + 6862 WT0 4613 TIP3 H2 HT 0.417000 1.0080 0 + 6863 WT0 4614 TIP3 OH2 OT -0.834000 15.9994 0 + 6864 WT0 4614 TIP3 H1 HT 0.417000 1.0080 0 + 6865 WT0 4614 TIP3 H2 HT 0.417000 1.0080 0 + 6866 WT0 4615 TIP3 OH2 OT -0.834000 15.9994 0 + 6867 WT0 4615 TIP3 H1 HT 0.417000 1.0080 0 + 6868 WT0 4615 TIP3 H2 HT 0.417000 1.0080 0 + 6869 WT0 4617 TIP3 OH2 OT -0.834000 15.9994 0 + 6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT 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5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 7622 WT0 5151 TIP3 OH2 OT -0.834000 15.9994 0 + 7623 WT0 5151 TIP3 H1 HT 0.417000 1.0080 0 + 7624 WT0 5151 TIP3 H2 HT 0.417000 1.0080 0 + 7625 WT0 5152 TIP3 OH2 OT -0.834000 15.9994 0 + 7626 WT0 5152 TIP3 H1 HT 0.417000 1.0080 0 + 7627 WT0 5152 TIP3 H2 HT 0.417000 1.0080 0 + 7628 WT0 5153 TIP3 OH2 OT -0.834000 15.9994 0 + 7629 WT0 5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 + 7651 WT0 5164 TIP3 H2 HT 0.417000 1.0080 0 + 7652 WT0 5165 TIP3 OH2 OT -0.834000 15.9994 0 + 7653 WT0 5165 TIP3 H1 HT 0.417000 1.0080 0 + 7654 WT0 5165 TIP3 H2 HT 0.417000 1.0080 0 + 7655 WT0 5166 TIP3 OH2 OT -0.834000 15.9994 0 + 7656 WT0 5166 TIP3 H1 HT 0.417000 1.0080 0 + 7657 WT0 5166 TIP3 H2 HT 0.417000 1.0080 0 + 7658 WT0 5173 TIP3 OH2 OT -0.834000 15.9994 0 + 7659 WT0 5173 TIP3 H1 HT 0.417000 1.0080 0 + 7660 WT0 5173 TIP3 H2 HT 0.417000 1.0080 0 + 7661 WT0 5176 TIP3 OH2 OT -0.834000 15.9994 0 + 7662 WT0 5176 TIP3 H1 HT 0.417000 1.0080 0 + 7663 WT0 5176 TIP3 H2 HT 0.417000 1.0080 0 + 7664 WT0 5181 TIP3 OH2 OT -0.834000 15.9994 0 + 7665 WT0 5181 TIP3 H1 HT 0.417000 1.0080 0 + 7666 WT0 5181 TIP3 H2 HT 0.417000 1.0080 0 + 7667 WT0 5182 TIP3 OH2 OT -0.834000 15.9994 0 + 7668 WT0 5182 TIP3 H1 HT 0.417000 1.0080 0 + 7669 WT0 5182 TIP3 H2 HT 0.417000 1.0080 0 + 7670 WT0 5190 TIP3 OH2 OT -0.834000 15.9994 0 + 7671 WT0 5190 TIP3 H1 HT 0.417000 1.0080 0 + 7672 WT0 5190 TIP3 H2 HT 0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 + 8497 WT0 5891 TIP3 H2 HT 0.417000 1.0080 0 + 8498 WT0 5894 TIP3 OH2 OT -0.834000 15.9994 0 + 8499 WT0 5894 TIP3 H1 HT 0.417000 1.0080 0 + 8500 WT0 5894 TIP3 H2 HT 0.417000 1.0080 0 + 8501 WT0 5895 TIP3 OH2 OT -0.834000 15.9994 0 + 8502 WT0 5895 TIP3 H1 HT 0.417000 1.0080 0 + 8503 WT0 5895 TIP3 H2 HT 0.417000 1.0080 0 + 8504 WT0 5897 TIP3 OH2 OT -0.834000 15.9994 0 + 8505 WT0 5897 TIP3 H1 HT 0.417000 1.0080 0 + 8506 WT0 5897 TIP3 H2 HT 0.417000 1.0080 0 + 8507 WT0 5899 TIP3 OH2 OT -0.834000 15.9994 0 + 8508 WT0 5899 TIP3 H1 HT 0.417000 1.0080 0 + 8509 WT0 5899 TIP3 H2 HT 0.417000 1.0080 0 + 8510 WT0 5901 TIP3 OH2 OT -0.834000 15.9994 0 + 8511 WT0 5901 TIP3 H1 HT 0.417000 1.0080 0 + 8512 WT0 5901 TIP3 H2 HT 0.417000 1.0080 0 + 8513 WT0 5903 TIP3 OH2 OT -0.834000 15.9994 0 + 8514 WT0 5903 TIP3 H1 HT 0.417000 1.0080 0 + 8515 WT0 5903 TIP3 H2 HT 0.417000 1.0080 0 + 8516 WT0 5904 TIP3 OH2 OT -0.834000 15.9994 0 + 8517 WT0 5904 TIP3 H1 HT 0.417000 1.0080 0 + 8518 WT0 5904 TIP3 H2 HT 0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT 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6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8750 WT0 6082 TIP3 OH2 OT -0.834000 15.9994 0 + 8751 WT0 6082 TIP3 H1 HT 0.417000 1.0080 0 + 8752 WT0 6082 TIP3 H2 HT 0.417000 1.0080 0 + 8753 WT0 6090 TIP3 OH2 OT -0.834000 15.9994 0 + 8754 WT0 6090 TIP3 H1 HT 0.417000 1.0080 0 + 8755 WT0 6090 TIP3 H2 HT 0.417000 1.0080 0 + 8756 WT0 6091 TIP3 OH2 OT -0.834000 15.9994 0 + 8757 WT0 6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 + 8779 WT0 6124 TIP3 H2 HT 0.417000 1.0080 0 + 8780 WT0 6129 TIP3 OH2 OT -0.834000 15.9994 0 + 8781 WT0 6129 TIP3 H1 HT 0.417000 1.0080 0 + 8782 WT0 6129 TIP3 H2 HT 0.417000 1.0080 0 + 8783 WT0 6136 TIP3 OH2 OT -0.834000 15.9994 0 + 8784 WT0 6136 TIP3 H1 HT 0.417000 1.0080 0 + 8785 WT0 6136 TIP3 H2 HT 0.417000 1.0080 0 + 8786 WT0 6138 TIP3 OH2 OT -0.834000 15.9994 0 + 8787 WT0 6138 TIP3 H1 HT 0.417000 1.0080 0 + 8788 WT0 6138 TIP3 H2 HT 0.417000 1.0080 0 + 8789 WT0 6139 TIP3 OH2 OT -0.834000 15.9994 0 + 8790 WT0 6139 TIP3 H1 HT 0.417000 1.0080 0 + 8791 WT0 6139 TIP3 H2 HT 0.417000 1.0080 0 + 8792 WT0 6146 TIP3 OH2 OT -0.834000 15.9994 0 + 8793 WT0 6146 TIP3 H1 HT 0.417000 1.0080 0 + 8794 WT0 6146 TIP3 H2 HT 0.417000 1.0080 0 + 8795 WT0 6157 TIP3 OH2 OT -0.834000 15.9994 0 + 8796 WT0 6157 TIP3 H1 HT 0.417000 1.0080 0 + 8797 WT0 6157 TIP3 H2 HT 0.417000 1.0080 0 + 8798 WT0 6158 TIP3 OH2 OT -0.834000 15.9994 0 + 8799 WT0 6158 TIP3 H1 HT 0.417000 1.0080 0 + 8800 WT0 6158 TIP3 H2 HT 0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 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6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 1.0080 0 + 8872 WT0 6230 TIP3 H2 HT 0.417000 1.0080 0 + 8873 WT0 6231 TIP3 OH2 OT -0.834000 15.9994 0 + 8874 WT0 6231 TIP3 H1 HT 0.417000 1.0080 0 + 8875 WT0 6231 TIP3 H2 HT 0.417000 1.0080 0 + 8876 WT0 6233 TIP3 OH2 OT -0.834000 15.9994 0 + 8877 WT0 6233 TIP3 H1 HT 0.417000 1.0080 0 + 8878 WT0 6233 TIP3 H2 HT 0.417000 1.0080 0 + 8879 WT0 6238 TIP3 OH2 OT -0.834000 15.9994 0 + 8880 WT0 6238 TIP3 H1 HT 0.417000 1.0080 0 + 8881 WT0 6238 TIP3 H2 HT 0.417000 1.0080 0 + 8882 WT0 6240 TIP3 OH2 OT -0.834000 15.9994 0 + 8883 WT0 6240 TIP3 H1 HT 0.417000 1.0080 0 + 8884 WT0 6240 TIP3 H2 HT 0.417000 1.0080 0 + 8885 WT0 6241 TIP3 OH2 OT -0.834000 15.9994 0 + 8886 WT0 6241 TIP3 H1 HT 0.417000 1.0080 0 + 8887 WT0 6241 TIP3 H2 HT 0.417000 1.0080 0 + 8888 WT0 6242 TIP3 OH2 OT -0.834000 15.9994 0 + 8889 WT0 6242 TIP3 H1 HT 0.417000 1.0080 0 + 8890 WT0 6242 TIP3 H2 HT 0.417000 1.0080 0 + 8891 WT0 6243 TIP3 OH2 OT -0.834000 15.9994 0 + 8892 WT0 6243 TIP3 H1 HT 0.417000 1.0080 0 + 8893 WT0 6243 TIP3 H2 HT 0.417000 1.0080 0 + 8894 WT0 6245 TIP3 OH2 OT -0.834000 15.9994 0 + 8895 WT0 6245 TIP3 H1 HT 0.417000 1.0080 0 + 8896 WT0 6245 TIP3 H2 HT 0.417000 1.0080 0 + 8897 WT0 6246 TIP3 OH2 OT -0.834000 15.9994 0 + 8898 WT0 6246 TIP3 H1 HT 0.417000 1.0080 0 + 8899 WT0 6246 TIP3 H2 HT 0.417000 1.0080 0 + 8900 WT0 6247 TIP3 OH2 OT -0.834000 15.9994 0 + 8901 WT0 6247 TIP3 H1 HT 0.417000 1.0080 0 + 8902 WT0 6247 TIP3 H2 HT 0.417000 1.0080 0 + 8903 WT0 6249 TIP3 OH2 OT -0.834000 15.9994 0 + 8904 WT0 6249 TIP3 H1 HT 0.417000 1.0080 0 + 8905 WT0 6249 TIP3 H2 HT 0.417000 1.0080 0 + 8906 WT0 6250 TIP3 OH2 OT -0.834000 15.9994 0 + 8907 WT0 6250 TIP3 H1 HT 0.417000 1.0080 0 + 8908 WT0 6250 TIP3 H2 HT 0.417000 1.0080 0 + 8909 WT0 6252 TIP3 OH2 OT -0.834000 15.9994 0 + 8910 WT0 6252 TIP3 H1 HT 0.417000 1.0080 0 + 8911 WT0 6252 TIP3 H2 HT 0.417000 1.0080 0 + 8912 WT0 6253 TIP3 OH2 OT -0.834000 15.9994 0 + 8913 WT0 6253 TIP3 H1 HT 0.417000 1.0080 0 + 8914 WT0 6253 TIP3 H2 HT 0.417000 1.0080 0 + 8915 WT0 6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT 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6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9032 WT0 6319 TIP3 OH2 OT -0.834000 15.9994 0 + 9033 WT0 6319 TIP3 H1 HT 0.417000 1.0080 0 + 9034 WT0 6319 TIP3 H2 HT 0.417000 1.0080 0 + 9035 WT0 6323 TIP3 OH2 OT -0.834000 15.9994 0 + 9036 WT0 6323 TIP3 H1 HT 0.417000 1.0080 0 + 9037 WT0 6323 TIP3 H2 HT 0.417000 1.0080 0 + 9038 WT0 6324 TIP3 OH2 OT -0.834000 15.9994 0 + 9039 WT0 6324 TIP3 H1 HT 0.417000 1.0080 0 + 9040 WT0 6324 TIP3 H2 HT 0.417000 1.0080 0 + 9041 WT0 6326 TIP3 OH2 OT -0.834000 15.9994 0 + 9042 WT0 6326 TIP3 H1 HT 0.417000 1.0080 0 + 9043 WT0 6326 TIP3 H2 HT 0.417000 1.0080 0 + 9044 WT0 6327 TIP3 OH2 OT -0.834000 15.9994 0 + 9045 WT0 6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 + 9082 WT0 6348 TIP3 H2 HT 0.417000 1.0080 0 + 9083 WT0 6351 TIP3 OH2 OT -0.834000 15.9994 0 + 9084 WT0 6351 TIP3 H1 HT 0.417000 1.0080 0 + 9085 WT0 6351 TIP3 H2 HT 0.417000 1.0080 0 + 9086 WT0 6355 TIP3 OH2 OT -0.834000 15.9994 0 + 9087 WT0 6355 TIP3 H1 HT 0.417000 1.0080 0 + 9088 WT0 6355 TIP3 H2 HT 0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT -0.834000 15.9994 0 + 9159 WT0 6404 TIP3 H1 HT 0.417000 1.0080 0 + 9160 WT0 6404 TIP3 H2 HT 0.417000 1.0080 0 + 9161 WT0 6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT -0.834000 15.9994 0 + 9300 WT0 6545 TIP3 H1 HT 0.417000 1.0080 0 + 9301 WT0 6545 TIP3 H2 HT 0.417000 1.0080 0 + 9302 WT0 6547 TIP3 OH2 OT -0.834000 15.9994 0 + 9303 WT0 6547 TIP3 H1 HT 0.417000 1.0080 0 + 9304 WT0 6547 TIP3 H2 HT 0.417000 1.0080 0 + 9305 WT0 6551 TIP3 OH2 OT -0.834000 15.9994 0 + 9306 WT0 6551 TIP3 H1 HT 0.417000 1.0080 0 + 9307 WT0 6551 TIP3 H2 HT 0.417000 1.0080 0 + 9308 WT0 6554 TIP3 OH2 OT -0.834000 15.9994 0 + 9309 WT0 6554 TIP3 H1 HT 0.417000 1.0080 0 + 9310 WT0 6554 TIP3 H2 HT 0.417000 1.0080 0 + 9311 WT0 6555 TIP3 OH2 OT -0.834000 15.9994 0 + 9312 WT0 6555 TIP3 H1 HT 0.417000 1.0080 0 + 9313 WT0 6555 TIP3 H2 HT 0.417000 1.0080 0 + 9314 WT0 6560 TIP3 OH2 OT -0.834000 15.9994 0 + 9315 WT0 6560 TIP3 H1 HT 0.417000 1.0080 0 + 9316 WT0 6560 TIP3 H2 HT 0.417000 1.0080 0 + 9317 WT0 6561 TIP3 OH2 OT -0.834000 15.9994 0 + 9318 WT0 6561 TIP3 H1 HT 0.417000 1.0080 0 + 9319 WT0 6561 TIP3 H2 HT 0.417000 1.0080 0 + 9320 WT0 6564 TIP3 OH2 OT -0.834000 15.9994 0 + 9321 WT0 6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 + 9343 WT0 6602 TIP3 H2 HT 0.417000 1.0080 0 + 9344 WT0 6604 TIP3 OH2 OT -0.834000 15.9994 0 + 9345 WT0 6604 TIP3 H1 HT 0.417000 1.0080 0 + 9346 WT0 6604 TIP3 H2 HT 0.417000 1.0080 0 + 9347 WT0 6614 TIP3 OH2 OT -0.834000 15.9994 0 + 9348 WT0 6614 TIP3 H1 HT 0.417000 1.0080 0 + 9349 WT0 6614 TIP3 H2 HT 0.417000 1.0080 0 + 9350 WT0 6615 TIP3 OH2 OT -0.834000 15.9994 0 + 9351 WT0 6615 TIP3 H1 HT 0.417000 1.0080 0 + 9352 WT0 6615 TIP3 H2 HT 0.417000 1.0080 0 + 9353 WT0 6616 TIP3 OH2 OT -0.834000 15.9994 0 + 9354 WT0 6616 TIP3 H1 HT 0.417000 1.0080 0 + 9355 WT0 6616 TIP3 H2 HT 0.417000 1.0080 0 + 9356 WT0 6618 TIP3 OH2 OT -0.834000 15.9994 0 + 9357 WT0 6618 TIP3 H1 HT 0.417000 1.0080 0 + 9358 WT0 6618 TIP3 H2 HT 0.417000 1.0080 0 + 9359 WT0 6623 TIP3 OH2 OT -0.834000 15.9994 0 + 9360 WT0 6623 TIP3 H1 HT 0.417000 1.0080 0 + 9361 WT0 6623 TIP3 H2 HT 0.417000 1.0080 0 + 9362 WT0 6628 TIP3 OH2 OT -0.834000 15.9994 0 + 9363 WT0 6628 TIP3 H1 HT 0.417000 1.0080 0 + 9364 WT0 6628 TIP3 H2 HT 0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT 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6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 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+cutoff 9 +extendedsystem input.xsc +thermostat on +thermostatdamping 0.1 +thermostattemp 350 +parameters parameters +pme on +restart on +structure structure.psf +switchdist 7.5 +switching on +temperature 350 +timestep 4 +trajectoryfile output.xtc +trajectoryperiod 25000 +run 250000 diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/input.coor b/adaptivemd/input/e1s1_ntl9_1ns_0/input.coor new file mode 100644 index 0000000..9b953c0 Binary files /dev/null and b/adaptivemd/input/e1s1_ntl9_1ns_0/input.coor differ diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/input.xsc b/adaptivemd/input/e1s1_ntl9_1ns_0/input.xsc new file mode 100644 index 0000000..5a9cda3 --- /dev/null +++ b/adaptivemd/input/e1s1_ntl9_1ns_0/input.xsc @@ -0,0 +1,3 @@ +# Extended system configuration restart file +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z s_x s_y s_z s_u s_v s_w +10000000 5.048889e+01 0 0 0 5.049091e+01 0 0 0 5.041617e+01 0 0 0 0 0 0 0 0 0 diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/job.sh 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a future release! Use "acemd" instead +# +# ACEMD version 3.7.2 +# +# Copyright (C) 2017-2023 Acellera (www.acellera.com) +# +# By using ACEMD, you accept the terms and conditions of the ACEMD licence +# Check the licence by running "acemd --licence" +# More details: https://software.acellera.com/acemd/licence.html +# +# When publishing, please cite: +# ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale +# M. J. Harvey, G. Giupponi and G. De Fabritiis, +# J Chem. Theory. Comput. 2009 5(6), pp1632-1639 +# DOI: 10.1021/ct9000685 +# +# Arguments: +# input: input +# platform: +# device: +# ncpus: +# precision: mixed +# +# Licence: +# Product: ACEMD 3.0 +# Check floating licence: +# ACELLERA_LICENCE_SERVER -- not defined +# ACELLERA_LICENSE_SERVER -- not defined +# Check node-locked licence: +# ACELLERA_LICENCE_FILE -- not defined +# ACELLERA_LICENSE_FILE -- not defined +# /opt/acellera/licence.dat -- DENIED (Unable to locate target file) +# /opt/acellera/license.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/licence.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/license.dat -- DENIED (Unable to locate target file) +# +# WARNING: This ACEMD version expires in 27 days! +# +# Initialize Python +# Version: 3.10.13 +# Internal modules: /home/sdoerr/miniforge3/envs/htmd/lib/acemd/python +# +# Parse input +# File name: input +# Format: old +# WARNING: Deprecated keyword "thermostattemp" is replaced with "thermostattemperature" +# WARNING: Deprecated keyword "switchdist" is replaced with "switchdistance" +# +# Parse force field and topology files +# Force field: CHARMM +# PRM file: parameters +# PSF file: structure.psf +# WARNING: No NBFIX parameters exist for atom type ocl! +# WARNING: No NBFIX parameters exist for atom type obl! +# WARNING: No NBFIX parameters exist for atom type o2l! +# WARNING: No NBFIX parameters exist for atom type oc2d2! +# WARNING: No NBFIX parameters exist for atom type oc2dp! +# WARNING: No NBFIX parameters exist for atom type og2d2! +# WARNING: No NBFIX parameters exist for atom type og2p1! +# +# Force field parameters +# Number of atom parameters: 107 +# Number of bond parameters: 154 +# Number of angle parameters: 378 +# Number of dihedral parameters: 505 +# Number of improper parameters: 49 +# Number of CMAP parameters: 6 +# +# System topology +# Number of atoms: 11340 +# Number of bonds: 7762 +# Number of angles: 4719 +# Number of dihedrals: 1657 +# Number of impropers: 100 +# Number of CMAPs: 5 +# +# Initializing engine +# Version: 7.7 +# Plugin directory: /home/sdoerr/miniforge3/envs/htmd/lib/acemd +# Loaded plugins +# CPU +# PME +# CUDA +# CudaCompiler +# OpenCL +# PlumedCUDA +# PlumedOpenCL +# PlumedReference +# Available platforms +# CPU +# CUDA +# OpenCL +# +# Bonded interactions +# Harmonic bond interactions +# Number of terms: 7762 +# Harmonic angle interactions +# Number of terms: 4719 +# Urey-Bradley interactions +# Number of terms: 593 +# Number of skipped terms (zero force constant): 4126 +# Proper dihedral interations +# Number of terms: 1760 +# Number of skipped terms (zero force constants): 366 +# Improper dihedral interations +# Number of terms: 100 +# CMAP interactions +# Number of terms: 5 +# +# Non-bonded interactions +# Number of exclusions: 14126 +# Lennard-Jones terms +# Cutoff distance: 9.000 A +# Switching distance: 7.500 A +# Coulombic (PME) term +# Ewald tolerance: 0.000500 +# Using NBFIX +# No implicit solvent +# +# Constraining hydrogen (X-H) bonds +# Number of constrained bonds: 7454 +# Making water molecules rigid +# Number of water molecules: 3564 +# Number of constraints: 11018 +# +# Repartitioning hydrogen atom mass +# New hydrogen mass: 4.032 au +# Number of hydrogen atoms: 7454 +# +# Reading box sizes from input.xsc +# +# Creating simulation system +# Number of particles: 11340 +# Number of degrees of freedom 22999 +# Periodic box size: 50.489 50.491 50.416 A +# +# Integrator +# Type: velocity Verlet +# Step size: 4.00 fs +# Constraint tolerance: 1.0e-06 +# +# Thermostat +# Type: Langevin +# Target temperature: 350.00 K +# Friction coefficient: 0.10 ps^-1 +# +# Setting up platform: CUDA +# Interactions: 1 2 3 4 5 6 7 7 12 +# Platform properties: +# DeviceIndex: 0 +# DeviceName: NVIDIA GeForce RTX 4050 Laptop GPU +# UseBlockingSync: false +# Precision: mixed +# UseCpuPme: false +# CudaCompiler: /usr/local/cuda/bin/nvcc +# TempDirectory: /tmp +# CudaHostCompiler: +# DisablePmeStream: false +# DeterministicForces: false +# +# Set initial positions from an input file +# +# Simulation restart +# Restat file: restart.chk +# WARNING: the restart file does not exist! +# WARNING: Unable to restart! Continuing with the initial positions, velocities, simulation box size +# +# Initial velocities +# Distribution: Maxwell-Boltzmann +# Temperature: 350.00 K +# +# Optimize platform for MD +# Number of constraints: 11018 +# Harmonic bond interations +# Initial number of terms: 7762 +# Optimized number of terms: 308 +# Remaining interactions: 2 3 4 5 6 7 7 12 1 +# +# Running simulation +# Current step: 0 +# Number of steps: 250000 +# +# Trajectory output +# Positions: output.xtc +# Period: 25000 +# Wrapping: off +# +# Log, trajectory, and restart files are written every 100.000 ps (25000 steps) +# Step Time Bond Angle Urey-Bradley Dihedral Improper CMAP Non-bonded Implicit External Potential Kinetic Total Temperature Volume +# [ps] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [K] [A^3] + 25000 100.00 141.4200 366.6892 48.4629 66.0969 20.0659 -23.3688 -34357.7904 0.0000 0.0000 -33738.4243 8021.5536 -25716.8707 351.027 128522.41 +# Speed: average 662.18 ns/day, current 662.18 ns/day +# Progress: 10.0, remaining time: 0:01:57, ETA: Tue Jun 11 16:35:10 2024 + 50000 200.00 136.5348 342.0873 50.7198 63.9194 25.7694 -17.8070 -34377.2469 0.0000 0.0000 -33776.0232 8018.1426 -25757.8806 350.877 128522.41 +# Speed: average 657.42 ns/day, current 652.73 ns/day +# Progress: 20.0, remaining time: 0:01:45, ETA: Tue Jun 11 16:35:11 2024 + 75000 300.00 131.4427 338.6138 45.8223 59.4354 20.5557 -23.6678 -34313.2295 0.0000 0.0000 -33741.0273 8011.0241 -25730.0032 350.566 128522.41 +# Speed: average 654.93 ns/day, current 650.00 ns/day +# Progress: 30.0, remaining time: 0:01:32, ETA: Tue Jun 11 16:35:12 2024 + 100000 400.00 145.2540 324.9359 45.6810 66.9511 24.6573 -20.8798 -34301.2694 0.0000 0.0000 -33714.6699 8013.3435 -25701.3264 350.667 128522.41 +# Speed: average 652.46 ns/day, current 645.18 ns/day +# Progress: 40.0, remaining time: 0:01:19, ETA: Tue Jun 11 16:35:12 2024 + 125000 500.00 136.7565 352.7093 53.0057 47.7679 23.8257 -22.7611 -34293.5198 0.0000 0.0000 -33702.2158 8091.3928 -25610.8230 354.083 128522.41 +# Speed: average 650.99 ns/day, current 645.18 ns/day +# Progress: 50.0, remaining time: 0:01:06, ETA: Tue Jun 11 16:35:12 2024 + 150000 600.00 140.8659 321.1552 43.2904 66.5131 20.4534 -23.0773 -34365.6900 0.0000 0.0000 -33796.4894 8044.2639 -25752.2255 352.020 128522.41 +# Speed: average 649.45 ns/day, current 641.83 ns/day +# Progress: 60.0, remaining time: 0:00:53, ETA: Tue Jun 11 16:35:13 2024 + 175000 700.00 128.6042 334.2314 43.0897 72.8581 23.5080 -18.4268 -34240.9333 0.0000 0.0000 -33657.0686 8003.0780 -25653.9906 350.218 128522.41 +# Speed: average 648.07 ns/day, current 639.90 ns/day +# Progress: 70.0, remaining time: 0:00:39, ETA: Tue Jun 11 16:35:13 2024 + 200000 800.00 141.4740 342.6701 42.7010 65.7809 26.0229 -20.5907 -34119.7851 0.0000 0.0000 -33521.7270 8088.9822 -25432.7448 353.977 128522.41 +# Speed: average 647.03 ns/day, current 639.84 ns/day +# Progress: 80.0, remaining time: 0:00:26, ETA: Tue Jun 11 16:35:13 2024 + 225000 900.00 127.5608 355.6236 45.3337 62.9366 22.3692 -19.6384 -34189.1183 0.0000 0.0000 -33594.9327 7996.6400 -25598.2927 349.936 128522.41 +# Speed: average 646.21 ns/day, current 639.71 ns/day +# Progress: 90.0, remaining time: 0:00:13, ETA: Tue Jun 11 16:35:13 2024 + 250000 1000.00 132.9315 350.8373 49.1385 74.0245 25.3125 -22.0309 -34506.6956 0.0000 0.0000 -33896.4821 8077.3813 -25819.1008 353.470 128522.41 +# Speed: average 645.45 ns/day, current 638.72 ns/day +# Progress: 100.0, remaining time: 0:00:00, ETA: Tue Jun 11 16:35:13 2024 +# Writing final coordinates to "output.coor" +# Writing final velocities to "output.vel" +# Writing final simulation box to "output.xsc" +# +# Simulation completed! +# +# WARNING: ACEMD was simulating with a non-commercial licence! +# For commercial use, a commercial licence is required. +# More details: https://software.acellera.com/acemd +# diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/output.coor b/adaptivemd/input/e1s1_ntl9_1ns_0/output.coor new file mode 100644 index 0000000..fafaa91 Binary files /dev/null and b/adaptivemd/input/e1s1_ntl9_1ns_0/output.coor differ diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/output.vel b/adaptivemd/input/e1s1_ntl9_1ns_0/output.vel new file mode 100644 index 0000000..5fe04e2 Binary files /dev/null and b/adaptivemd/input/e1s1_ntl9_1ns_0/output.vel differ diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/output.xsc b/adaptivemd/input/e1s1_ntl9_1ns_0/output.xsc new file mode 100644 index 0000000..aff6362 --- /dev/null +++ b/adaptivemd/input/e1s1_ntl9_1ns_0/output.xsc @@ -0,0 +1,2 @@ +# XSC File generated by ACEMD +250000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/parameters b/adaptivemd/input/e1s1_ntl9_1ns_0/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/input/e1s1_ntl9_1ns_0/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/restart.chk b/adaptivemd/input/e1s1_ntl9_1ns_0/restart.chk new file mode 100644 index 0000000..3789ff0 Binary files /dev/null and b/adaptivemd/input/e1s1_ntl9_1ns_0/restart.chk differ diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/restart.chk.bkp b/adaptivemd/input/e1s1_ntl9_1ns_0/restart.chk.bkp new file mode 100644 index 0000000..54b9097 Binary files /dev/null and b/adaptivemd/input/e1s1_ntl9_1ns_0/restart.chk.bkp differ diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/run.sh b/adaptivemd/input/e1s1_ntl9_1ns_0/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/input/e1s1_ntl9_1ns_0/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/structure.pdb b/adaptivemd/input/e1s1_ntl9_1ns_0/structure.pdb new file mode 100644 index 0000000..2b58bb1 --- /dev/null +++ b/adaptivemd/input/e1s1_ntl9_1ns_0/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 20.934 -3.579 -22.871 0.00 0.00 P C +ATOM 2 HY1 MET 1 21.144 -3.509 -23.961 0.00 0.00 P H +ATOM 3 HY2 MET 1 21.914 -3.329 -22.401 0.00 0.00 P H +ATOM 4 HY3 MET 1 20.444 -2.589 -22.751 0.00 0.00 P H +ATOM 5 CY MET 1 20.224 -4.549 -22.191 0.00 0.00 P C +ATOM 6 OY MET 1 20.514 -4.819 -21.051 0.00 0.00 P O +ATOM 7 N MET 1 19.144 -5.189 -22.741 0.00 0.00 P N +ATOM 8 HN MET 1 19.034 -5.109 -23.731 0.00 0.00 P H +ATOM 9 CA MET 1 18.264 -6.069 -22.101 0.00 0.00 P C +ATOM 10 HA MET 1 17.734 -5.469 -21.381 0.00 0.00 P H +ATOM 11 CB MET 1 17.044 -6.279 -23.061 0.00 0.00 P C +ATOM 12 HB1 MET 1 16.134 -6.399 -22.441 0.00 0.00 P H +ATOM 13 HB2 MET 1 16.934 -5.329 -23.631 0.00 0.00 P H +ATOM 14 CG MET 1 17.264 -7.469 -24.081 0.00 0.00 P C +ATOM 15 HG1 MET 1 18.144 -7.269 -24.721 0.00 0.00 P H +ATOM 16 HG2 MET 1 17.514 -8.429 -23.571 0.00 0.00 P H +ATOM 17 SD MET 1 15.784 -7.699 -25.041 0.00 0.00 P S +ATOM 18 CE MET 1 14.644 -8.859 -24.111 0.00 0.00 P C +ATOM 19 HE1 MET 1 14.444 -9.609 -24.911 0.00 0.00 P H +ATOM 20 HE2 MET 1 15.174 -9.459 -23.341 0.00 0.00 P H +ATOM 21 HE3 MET 1 13.714 -8.399 -23.701 0.00 0.00 P H +ATOM 22 C MET 1 18.874 -7.309 -21.501 0.00 0.00 P C +ATOM 23 O MET 1 18.494 -7.699 -20.441 0.00 0.00 P O +ATOM 24 N LYS 2 20.034 -7.889 -21.991 0.00 0.00 P N +ATOM 25 HN LYS 2 20.404 -7.509 -22.831 0.00 0.00 P H +ATOM 26 CA LYS 2 20.924 -8.789 -21.251 0.00 0.00 P C +ATOM 27 HA LYS 2 20.134 -9.499 -21.031 0.00 0.00 P H +ATOM 28 CB LYS 2 21.984 -9.429 -22.211 0.00 0.00 P C +ATOM 29 HB1 LYS 2 21.644 -9.469 -23.271 0.00 0.00 P H +ATOM 30 HB2 LYS 2 22.844 -8.729 -22.321 0.00 0.00 P H +ATOM 31 CG LYS 2 22.574 -10.719 -21.791 0.00 0.00 P C +ATOM 32 HG1 LYS 2 23.174 -11.079 -22.661 0.00 0.00 P H +ATOM 33 HG2 LYS 2 23.314 -10.499 -20.991 0.00 0.00 P H +ATOM 34 CD LYS 2 21.694 -11.839 -21.381 0.00 0.00 P C +ATOM 35 HD1 LYS 2 22.354 -12.449 -20.731 0.00 0.00 P H +ATOM 36 HD2 LYS 2 20.914 -11.519 -20.661 0.00 0.00 P H +ATOM 37 CE LYS 2 21.074 -12.509 -22.601 0.00 0.00 P C +ATOM 38 HE1 LYS 2 20.504 -11.679 -23.081 0.00 0.00 P H +ATOM 39 HE2 LYS 2 21.724 -12.879 -23.411 0.00 0.00 P H +ATOM 40 NZ LYS 2 20.284 -13.689 -22.301 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 20.844 -14.559 -22.171 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 19.604 -13.669 -21.521 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 19.804 -13.949 -23.191 0.00 0.00 P H +ATOM 44 C LYS 2 21.614 -8.249 -19.941 0.00 0.00 P C +ATOM 45 O LYS 2 22.034 -9.059 -19.171 0.00 0.00 P O +ATOM 46 N VAL 3 21.594 -6.939 -19.711 0.00 0.00 P N +ATOM 47 HN VAL 3 21.104 -6.299 -20.301 0.00 0.00 P H +ATOM 48 CA VAL 3 22.524 -6.319 -18.801 0.00 0.00 P C +ATOM 49 HA VAL 3 23.234 -6.999 -18.341 0.00 0.00 P H +ATOM 50 CB VAL 3 23.524 -5.379 -19.631 0.00 0.00 P C +ATOM 51 HB VAL 3 22.974 -4.439 -19.841 0.00 0.00 P H +ATOM 52 CG1 VAL 3 24.824 -4.979 -19.001 0.00 0.00 P C +ATOM 53 HG11 VAL 3 25.444 -5.899 -18.921 0.00 0.00 P H +ATOM 54 HG12 VAL 3 25.304 -4.269 -19.711 0.00 0.00 P H +ATOM 55 HG13 VAL 3 24.764 -4.529 -17.991 0.00 0.00 P H +ATOM 56 CG2 VAL 3 23.814 -5.999 -21.071 0.00 0.00 P C +ATOM 57 HG21 VAL 3 22.924 -5.949 -21.741 0.00 0.00 P H +ATOM 58 HG22 VAL 3 24.654 -5.429 -21.511 0.00 0.00 P H +ATOM 59 HG23 VAL 3 24.334 -6.989 -21.051 0.00 0.00 P H +ATOM 60 C VAL 3 21.694 -5.559 -17.761 0.00 0.00 P C +ATOM 61 O VAL 3 22.124 -4.539 -17.261 0.00 0.00 P O +ATOM 62 N ILE 4 20.494 -6.079 -17.341 0.00 0.00 P N +ATOM 63 HN ILE 4 20.064 -6.919 -17.651 0.00 0.00 P H +ATOM 64 CA ILE 4 19.584 -5.459 -16.371 0.00 0.00 P C +ATOM 65 HA ILE 4 19.114 -4.609 -16.831 0.00 0.00 P H +ATOM 66 CB ILE 4 18.384 -6.349 -15.991 0.00 0.00 P C +ATOM 67 HB ILE 4 18.414 -6.959 -15.061 0.00 0.00 P H +ATOM 68 CG2 ILE 4 17.224 -5.349 -15.661 0.00 0.00 P C +ATOM 69 HG21 ILE 4 17.584 -4.609 -14.901 0.00 0.00 P H +ATOM 70 HG22 ILE 4 17.024 -4.679 -16.521 0.00 0.00 P H +ATOM 71 HG23 ILE 4 16.204 -5.679 -15.351 0.00 0.00 P H +ATOM 72 CG1 ILE 4 17.974 -7.409 -17.111 0.00 0.00 P C +ATOM 73 HG11 ILE 4 17.844 -6.949 -18.121 0.00 0.00 P H +ATOM 74 HG12 ILE 4 18.814 -8.139 -17.131 0.00 0.00 P H +ATOM 75 CD ILE 4 16.574 -8.089 -17.001 0.00 0.00 P C +ATOM 76 HD1 ILE 4 16.414 -8.599 -16.031 0.00 0.00 P H +ATOM 77 HD2 ILE 4 15.804 -7.309 -17.211 0.00 0.00 P H +ATOM 78 HD3 ILE 4 16.504 -8.699 -17.931 0.00 0.00 P H +ATOM 79 C ILE 4 20.114 -5.049 -15.091 0.00 0.00 P C +ATOM 80 O ILE 4 20.784 -5.859 -14.531 0.00 0.00 P O +ATOM 81 N PHE 5 19.904 -3.819 -14.641 0.00 0.00 P N +ATOM 82 HN PHE 5 19.384 -3.069 -15.051 0.00 0.00 P H +ATOM 83 CA PHE 5 20.774 -3.379 -13.481 0.00 0.00 P C +ATOM 84 HA PHE 5 21.744 -3.839 -13.641 0.00 0.00 P H +ATOM 85 CB PHE 5 20.924 -1.779 -13.521 0.00 0.00 P C +ATOM 86 HB1 PHE 5 19.884 -1.409 -13.401 0.00 0.00 P H +ATOM 87 HB2 PHE 5 21.694 -1.519 -12.761 0.00 0.00 P H +ATOM 88 CG PHE 5 21.544 -1.199 -14.811 0.00 0.00 P C +ATOM 89 CD1 PHE 5 22.664 -1.869 -15.301 0.00 0.00 P C +ATOM 90 HD1 PHE 5 23.044 -2.709 -14.741 0.00 0.00 P H +ATOM 91 CE1 PHE 5 22.974 -1.759 -16.671 0.00 0.00 P C +ATOM 92 HE1 PHE 5 23.744 -2.419 -17.051 0.00 0.00 P H +ATOM 93 CZ PHE 5 22.244 -0.929 -17.531 0.00 0.00 P C +ATOM 94 HZ PHE 5 22.374 -0.729 -18.581 0.00 0.00 P H +ATOM 95 CD2 PHE 5 20.874 -0.339 -15.631 0.00 0.00 P C +ATOM 96 HD2 PHE 5 19.854 -0.019 -15.461 0.00 0.00 P H +ATOM 97 CE2 PHE 5 21.174 -0.239 -16.971 0.00 0.00 P C +ATOM 98 HE2 PHE 5 20.564 0.491 -17.491 0.00 0.00 P H +ATOM 99 C PHE 5 20.204 -3.859 -12.141 0.00 0.00 P C +ATOM 100 O PHE 5 20.884 -3.889 -11.141 0.00 0.00 P O +ATOM 101 N LEU 6 18.934 -4.359 -12.081 0.00 0.00 P N +ATOM 102 HN LEU 6 18.334 -4.459 -12.871 0.00 0.00 P H +ATOM 103 CA LEU 6 18.184 -4.959 -10.931 0.00 0.00 P C +ATOM 104 HA LEU 6 18.714 -4.809 -10.001 0.00 0.00 P H +ATOM 105 CB LEU 6 16.784 -4.319 -10.721 0.00 0.00 P C +ATOM 106 HB1 LEU 6 16.074 -4.489 -11.561 0.00 0.00 P H +ATOM 107 HB2 LEU 6 16.354 -4.769 -9.801 0.00 0.00 P H +ATOM 108 CG LEU 6 16.724 -2.749 -10.541 0.00 0.00 P C +ATOM 109 HG LEU 6 17.164 -2.219 -11.411 0.00 0.00 P H +ATOM 110 CD1 LEU 6 15.264 -2.259 -10.461 0.00 0.00 P C +ATOM 111 HD11 LEU 6 14.654 -2.779 -9.691 0.00 0.00 P H +ATOM 112 HD12 LEU 6 14.934 -1.209 -10.451 0.00 0.00 P H +ATOM 113 HD13 LEU 6 14.784 -2.519 -11.421 0.00 0.00 P H +ATOM 114 CD2 LEU 6 17.694 -2.319 -9.291 0.00 0.00 P C +ATOM 115 HD21 LEU 6 18.744 -2.599 -9.491 0.00 0.00 P H +ATOM 116 HD22 LEU 6 17.534 -1.229 -9.181 0.00 0.00 P H +ATOM 117 HD23 LEU 6 17.414 -2.919 -8.391 0.00 0.00 P H +ATOM 118 C LEU 6 18.114 -6.409 -11.051 0.00 0.00 P C +ATOM 119 O LEU 6 17.914 -6.759 -12.201 0.00 0.00 P O +ATOM 120 N LYS 7 18.344 -7.339 -10.081 0.00 0.00 P N +ATOM 121 HN LYS 7 18.514 -7.149 -9.121 0.00 0.00 P H +ATOM 122 CA LYS 7 18.264 -8.759 -10.431 0.00 0.00 P C +ATOM 123 HA LYS 7 17.384 -8.819 -11.061 0.00 0.00 P H +ATOM 124 CB LYS 7 19.264 -9.289 -11.471 0.00 0.00 P C +ATOM 125 HB1 LYS 7 18.974 -10.349 -11.611 0.00 0.00 P H +ATOM 126 HB2 LYS 7 19.074 -8.799 -12.461 0.00 0.00 P H +ATOM 127 CG LYS 7 20.774 -9.079 -10.961 0.00 0.00 P C +ATOM 128 HG1 LYS 7 20.684 -8.159 -10.351 0.00 0.00 P H +ATOM 129 HG2 LYS 7 21.154 -9.789 -10.191 0.00 0.00 P H +ATOM 130 CD LYS 7 21.764 -8.709 -12.011 0.00 0.00 P C +ATOM 131 HD1 LYS 7 21.344 -8.259 -12.931 0.00 0.00 P H +ATOM 132 HD2 LYS 7 22.564 -8.019 -11.681 0.00 0.00 P H +ATOM 133 CE LYS 7 22.524 -9.929 -12.411 0.00 0.00 P C +ATOM 134 HE1 LYS 7 23.384 -9.749 -13.101 0.00 0.00 P H +ATOM 135 HE2 LYS 7 22.974 -10.419 -11.521 0.00 0.00 P H +ATOM 136 NZ LYS 7 21.674 -10.869 -13.131 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 20.974 -10.559 -13.841 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 22.204 -11.679 -13.531 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 21.174 -11.229 -12.291 0.00 0.00 P H +ATOM 140 C LYS 7 18.144 -9.679 -9.211 0.00 0.00 P C +ATOM 141 O LYS 7 19.084 -9.929 -8.431 0.00 0.00 P O +ATOM 142 N ASP 8 16.914 -10.259 -9.041 0.00 0.00 P N +ATOM 143 HN ASP 8 16.204 -10.099 -9.721 0.00 0.00 P H +ATOM 144 CA ASP 8 16.294 -11.289 -8.111 0.00 0.00 P C +ATOM 145 HA ASP 8 15.384 -11.479 -8.641 0.00 0.00 P H +ATOM 146 CB ASP 8 17.124 -12.519 -7.901 0.00 0.00 P C +ATOM 147 HB1 ASP 8 18.104 -12.189 -7.501 0.00 0.00 P H +ATOM 148 HB2 ASP 8 16.724 -13.189 -7.121 0.00 0.00 P H +ATOM 149 CG ASP 8 17.204 -13.289 -9.201 0.00 0.00 P C +ATOM 150 OD1 ASP 8 16.144 -13.719 -9.721 0.00 0.00 P O +ATOM 151 OD2 ASP 8 18.304 -13.469 -9.721 0.00 0.00 P O +ATOM 152 C ASP 8 15.994 -10.579 -6.801 0.00 0.00 P C +ATOM 153 O ASP 8 16.884 -9.939 -6.101 0.00 0.00 P O +ATOM 154 N VAL 9 14.734 -10.669 -6.351 0.00 0.00 P N +ATOM 155 HN VAL 9 14.104 -10.979 -7.051 0.00 0.00 P H +ATOM 156 CA VAL 9 14.084 -10.129 -5.321 0.00 0.00 P C +ATOM 157 HA VAL 9 14.604 -9.259 -4.931 0.00 0.00 P H +ATOM 158 CB VAL 9 12.604 -9.859 -5.671 0.00 0.00 P C +ATOM 159 HB VAL 9 12.104 -10.629 -6.291 0.00 0.00 P H +ATOM 160 CG1 VAL 9 11.704 -9.629 -4.491 0.00 0.00 P C +ATOM 161 HG11 VAL 9 12.054 -8.819 -3.811 0.00 0.00 P H +ATOM 162 HG12 VAL 9 10.664 -9.399 -4.801 0.00 0.00 P H +ATOM 163 HG13 VAL 9 11.514 -10.519 -3.851 0.00 0.00 P H +ATOM 164 CG2 VAL 9 12.324 -8.569 -6.581 0.00 0.00 P C +ATOM 165 HG21 VAL 9 12.754 -7.579 -6.321 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.744 -8.909 -7.551 0.00 0.00 P H +ATOM 167 HG23 VAL 9 11.244 -8.339 -6.711 0.00 0.00 P H +ATOM 168 C VAL 9 14.074 -11.059 -4.211 0.00 0.00 P C +ATOM 169 O VAL 9 13.434 -12.139 -4.281 0.00 0.00 P O +ATOM 170 N LYS 10 14.734 -10.649 -3.121 0.00 0.00 P N +ATOM 171 HN LYS 10 15.274 -9.819 -3.111 0.00 0.00 P H +ATOM 172 CA LYS 10 14.894 -11.499 -1.981 0.00 0.00 P C +ATOM 173 HA LYS 10 14.054 -12.169 -1.811 0.00 0.00 P H +ATOM 174 CB LYS 10 16.134 -12.379 -2.201 0.00 0.00 P C +ATOM 175 HB1 LYS 10 16.114 -13.409 -1.791 0.00 0.00 P H +ATOM 176 HB2 LYS 10 16.114 -12.619 -3.291 0.00 0.00 P H +ATOM 177 CG LYS 10 17.604 -11.799 -1.901 0.00 0.00 P C +ATOM 178 HG1 LYS 10 17.674 -10.859 -2.491 0.00 0.00 P H +ATOM 179 HG2 LYS 10 17.414 -11.599 -0.831 0.00 0.00 P H +ATOM 180 CD LYS 10 18.714 -12.809 -2.331 0.00 0.00 P C +ATOM 181 HD1 LYS 10 18.454 -13.689 -1.701 0.00 0.00 P H +ATOM 182 HD2 LYS 10 18.574 -13.059 -3.401 0.00 0.00 P H +ATOM 183 CE LYS 10 20.064 -12.299 -1.961 0.00 0.00 P C +ATOM 184 HE1 LYS 10 20.244 -11.269 -2.351 0.00 0.00 P H +ATOM 185 HE2 LYS 10 20.434 -12.249 -0.921 0.00 0.00 P H +ATOM 186 NZ LYS 10 21.054 -13.269 -2.551 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 21.884 -12.719 -2.861 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 21.304 -13.989 -1.851 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 20.734 -13.809 -3.381 0.00 0.00 P H +ATOM 190 C LYS 10 15.034 -10.789 -0.671 0.00 0.00 P C +ATOM 191 O LYS 10 15.454 -9.599 -0.601 0.00 0.00 P O +ATOM 192 N GLY 11 14.694 -11.429 0.369 0.00 0.00 P N +ATOM 193 HN GLY 11 14.524 -12.349 0.029 0.00 0.00 P H +ATOM 194 CA GLY 11 14.524 -11.039 1.729 0.00 0.00 P C +ATOM 195 HA1 GLY 11 14.774 -11.939 2.269 0.00 0.00 P H +ATOM 196 HA2 GLY 11 15.284 -10.289 1.909 0.00 0.00 P H +ATOM 197 C GLY 11 13.194 -10.549 2.129 0.00 0.00 P C +ATOM 198 O GLY 11 12.604 -9.539 1.559 0.00 0.00 P O +ATOM 199 N MET 12 12.694 -10.939 3.269 0.00 0.00 P N +ATOM 200 HN MET 12 13.104 -11.829 3.459 0.00 0.00 P H +ATOM 201 CA MET 12 11.384 -10.619 3.699 0.00 0.00 P C +ATOM 202 HA MET 12 10.714 -10.399 2.879 0.00 0.00 P H +ATOM 203 CB MET 12 10.614 -11.679 4.489 0.00 0.00 P C +ATOM 204 HB1 MET 12 10.514 -12.569 3.829 0.00 0.00 P H +ATOM 205 HB2 MET 12 11.144 -12.079 5.379 0.00 0.00 P H +ATOM 206 CG MET 12 9.104 -11.469 4.939 0.00 0.00 P C +ATOM 207 HG1 MET 12 8.934 -12.429 5.459 0.00 0.00 P H +ATOM 208 HG2 MET 12 9.064 -10.709 5.749 0.00 0.00 P H +ATOM 209 SD MET 12 7.874 -11.019 3.679 0.00 0.00 P S +ATOM 210 CE MET 12 6.514 -10.339 4.719 0.00 0.00 P C +ATOM 211 HE1 MET 12 5.564 -10.259 4.159 0.00 0.00 P H +ATOM 212 HE2 MET 12 6.574 -11.039 5.579 0.00 0.00 P H +ATOM 213 HE3 MET 12 6.694 -9.279 4.979 0.00 0.00 P H +ATOM 214 C MET 12 11.384 -9.259 4.449 0.00 0.00 P C +ATOM 215 O MET 12 12.024 -9.199 5.489 0.00 0.00 P O +ATOM 216 N GLY 13 10.764 -8.289 3.949 0.00 0.00 P N +ATOM 217 HN GLY 13 10.444 -8.149 3.019 0.00 0.00 P H +ATOM 218 CA GLY 13 10.404 -7.049 4.819 0.00 0.00 P C +ATOM 219 HA1 GLY 13 11.274 -7.019 5.459 0.00 0.00 P H +ATOM 220 HA2 GLY 13 10.524 -6.219 4.139 0.00 0.00 P H +ATOM 221 C GLY 13 9.264 -6.909 5.559 0.00 0.00 P C +ATOM 222 O GLY 13 8.614 -7.839 6.109 0.00 0.00 P O +ATOM 223 N LYS 14 8.844 -5.609 5.749 0.00 0.00 P N +ATOM 224 HN LYS 14 9.474 -4.899 5.439 0.00 0.00 P H +ATOM 225 CA LYS 14 7.574 -5.409 6.409 0.00 0.00 P C +ATOM 226 HA LYS 14 6.984 -6.309 6.469 0.00 0.00 P H +ATOM 227 CB LYS 14 7.394 -4.589 7.759 0.00 0.00 P C +ATOM 228 HB1 LYS 14 7.874 -3.629 7.489 0.00 0.00 P H +ATOM 229 HB2 LYS 14 6.394 -4.469 8.239 0.00 0.00 P H +ATOM 230 CG LYS 14 8.194 -5.019 9.049 0.00 0.00 P C +ATOM 231 HG1 LYS 14 7.964 -6.099 9.209 0.00 0.00 P H +ATOM 232 HG2 LYS 14 9.304 -4.969 9.009 0.00 0.00 P H +ATOM 233 CD LYS 14 7.694 -4.379 10.309 0.00 0.00 P C +ATOM 234 HD1 LYS 14 8.474 -4.249 11.089 0.00 0.00 P H +ATOM 235 HD2 LYS 14 7.514 -3.299 10.139 0.00 0.00 P H +ATOM 236 CE LYS 14 6.344 -5.059 10.739 0.00 0.00 P C +ATOM 237 HE1 LYS 14 5.474 -4.859 10.079 0.00 0.00 P H +ATOM 238 HE2 LYS 14 6.624 -6.129 10.799 0.00 0.00 P H +ATOM 239 NZ LYS 14 5.924 -4.849 12.189 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 6.034 -3.859 12.509 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 4.924 -5.149 12.229 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 6.664 -5.349 12.719 0.00 0.00 P H +ATOM 243 C LYS 14 6.624 -4.739 5.369 0.00 0.00 P C +ATOM 244 O LYS 14 5.734 -3.909 5.799 0.00 0.00 P O +ATOM 245 N LYS 15 6.794 -4.969 4.079 0.00 0.00 P N +ATOM 246 HN LYS 15 7.384 -5.719 3.799 0.00 0.00 P H +ATOM 247 CA LYS 15 6.034 -4.309 2.989 0.00 0.00 P C +ATOM 248 HA LYS 15 5.544 -3.409 3.349 0.00 0.00 P H +ATOM 249 CB LYS 15 7.054 -3.949 1.889 0.00 0.00 P C +ATOM 250 HB1 LYS 15 7.774 -4.739 1.569 0.00 0.00 P H +ATOM 251 HB2 LYS 15 6.454 -3.419 1.119 0.00 0.00 P H +ATOM 252 CG LYS 15 8.114 -2.809 2.419 0.00 0.00 P C +ATOM 253 HG1 LYS 15 8.804 -3.359 3.099 0.00 0.00 P H +ATOM 254 HG2 LYS 15 8.634 -2.659 1.459 0.00 0.00 P H +ATOM 255 CD LYS 15 7.584 -1.599 3.189 0.00 0.00 P C +ATOM 256 HD1 LYS 15 7.164 -1.889 4.169 0.00 0.00 P H +ATOM 257 HD2 LYS 15 8.484 -1.019 3.479 0.00 0.00 P H +ATOM 258 CE LYS 15 6.734 -0.729 2.239 0.00 0.00 P C +ATOM 259 HE1 LYS 15 7.314 -0.529 1.309 0.00 0.00 P H +ATOM 260 HE2 LYS 15 5.724 -1.179 2.219 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.404 0.521 2.779 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 5.824 0.521 3.649 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.244 1.071 3.019 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.914 1.041 2.029 0.00 0.00 P H +ATOM 265 C LYS 15 4.884 -5.249 2.419 0.00 0.00 P C +ATOM 266 O LYS 15 4.984 -6.459 2.369 0.00 0.00 P O +ATOM 267 N GLY 16 3.844 -4.529 1.959 0.00 0.00 P N +ATOM 268 HN GLY 16 3.674 -3.579 2.179 0.00 0.00 P H +ATOM 269 CA GLY 16 2.574 -5.129 1.489 0.00 0.00 P C +ATOM 270 HA1 GLY 16 1.964 -4.409 0.969 0.00 0.00 P H +ATOM 271 HA2 GLY 16 2.844 -6.039 0.959 0.00 0.00 P H +ATOM 272 C GLY 16 1.844 -5.679 2.579 0.00 0.00 P C +ATOM 273 O GLY 16 1.424 -4.779 3.369 0.00 0.00 P O +ATOM 274 N GLU 17 1.664 -7.039 2.679 0.00 0.00 P N +ATOM 275 HN GLU 17 1.964 -7.619 1.929 0.00 0.00 P H +ATOM 276 CA GLU 17 0.664 -7.589 3.619 0.00 0.00 P C +ATOM 277 HA GLU 17 -0.226 -7.009 3.479 0.00 0.00 P H +ATOM 278 CB GLU 17 0.364 -9.129 3.379 0.00 0.00 P C +ATOM 279 HB1 GLU 17 1.394 -9.519 3.499 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.296 -9.599 4.139 0.00 0.00 P H +ATOM 281 CG GLU 17 -0.236 -9.489 1.899 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -0.626 -8.629 1.329 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.584 -9.859 1.239 0.00 0.00 P H +ATOM 284 CD GLU 17 -1.416 -10.529 1.859 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -2.466 -10.119 2.399 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.326 -11.669 1.279 0.00 0.00 P O +ATOM 287 C GLU 17 1.064 -7.529 5.169 0.00 0.00 P C +ATOM 288 O GLU 17 1.194 -8.509 5.839 0.00 0.00 P O +ATOM 289 N ILE 18 1.174 -6.269 5.769 0.00 0.00 P N +ATOM 290 HN ILE 18 1.034 -5.459 5.209 0.00 0.00 P H +ATOM 291 CA ILE 18 1.414 -6.079 7.169 0.00 0.00 P C +ATOM 292 HA ILE 18 2.424 -6.459 7.279 0.00 0.00 P H +ATOM 293 CB ILE 18 1.404 -4.559 7.579 0.00 0.00 P C +ATOM 294 HB ILE 18 0.384 -4.099 7.569 0.00 0.00 P H +ATOM 295 CG2 ILE 18 1.844 -4.279 9.059 0.00 0.00 P C +ATOM 296 HG21 ILE 18 2.884 -4.619 9.209 0.00 0.00 P H +ATOM 297 HG22 ILE 18 1.774 -3.179 9.249 0.00 0.00 P H +ATOM 298 HG23 ILE 18 1.234 -4.779 9.839 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.454 -3.759 6.729 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.474 -4.169 6.539 0.00 0.00 P H +ATOM 301 HG12 ILE 18 1.834 -3.739 5.809 0.00 0.00 P H +ATOM 302 CD ILE 18 2.604 -2.289 6.999 0.00 0.00 P C +ATOM 303 HD1 ILE 18 3.224 -2.029 7.879 0.00 0.00 P H +ATOM 304 HD2 ILE 18 2.954 -1.759 6.099 0.00 0.00 P H +ATOM 305 HD3 ILE 18 1.624 -1.799 7.219 0.00 0.00 P H +ATOM 306 C ILE 18 0.384 -6.779 8.089 0.00 0.00 P C +ATOM 307 O ILE 18 0.804 -7.489 8.999 0.00 0.00 P O +ATOM 308 N LYS 19 -0.896 -6.509 7.839 0.00 0.00 P N +ATOM 309 HN LYS 19 -1.206 -5.939 7.079 0.00 0.00 P H +ATOM 310 CA LYS 19 -2.026 -7.199 8.629 0.00 0.00 P C +ATOM 311 HA LYS 19 -1.946 -8.249 8.859 0.00 0.00 P H +ATOM 312 CB LYS 19 -2.126 -6.449 9.949 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.896 -6.939 10.579 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -1.166 -6.659 10.469 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.426 -4.999 9.719 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.716 -4.279 10.179 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -2.676 -4.699 8.679 0.00 0.00 P H +ATOM 318 CD LYS 19 -3.766 -4.559 10.449 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -4.516 -5.319 10.129 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -3.556 -4.599 11.539 0.00 0.00 P H +ATOM 321 CE LYS 19 -4.386 -3.099 10.169 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -3.576 -2.469 10.579 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -4.446 -2.929 9.079 0.00 0.00 P H +ATOM 324 NZ LYS 19 -5.486 -2.719 11.019 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -5.416 -3.339 11.849 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -5.666 -1.749 11.339 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -6.386 -2.999 10.579 0.00 0.00 P H +ATOM 328 C LYS 19 -3.326 -7.059 7.789 0.00 0.00 P C +ATOM 329 O LYS 19 -3.476 -6.189 6.849 0.00 0.00 P O +ATOM 330 N ASN 20 -4.316 -7.999 8.059 0.00 0.00 P N +ATOM 331 HN ASN 20 -4.036 -8.769 8.619 0.00 0.00 P H +ATOM 332 CA ASN 20 -5.646 -7.839 7.509 0.00 0.00 P C +ATOM 333 HA ASN 20 -5.786 -7.159 6.679 0.00 0.00 P H +ATOM 334 CB ASN 20 -6.096 -9.209 7.029 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -5.906 -10.049 7.729 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -7.146 -9.119 6.689 0.00 0.00 P H +ATOM 337 CG ASN 20 -5.316 -9.629 5.759 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -4.826 -10.729 5.719 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -5.286 -8.769 4.659 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -5.146 -9.219 3.779 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -5.736 -7.879 4.619 0.00 0.00 P H +ATOM 342 C ASN 20 -6.676 -7.409 8.479 0.00 0.00 P C +ATOM 343 O ASN 20 -7.776 -7.089 8.059 0.00 0.00 P O +ATOM 344 N VAL 21 -6.396 -7.519 9.819 0.00 0.00 P N +ATOM 345 HN VAL 21 -5.456 -7.749 10.079 0.00 0.00 P H +ATOM 346 CA VAL 21 -7.396 -7.179 10.879 0.00 0.00 P C +ATOM 347 HA VAL 21 -8.236 -7.709 10.449 0.00 0.00 P H +ATOM 348 CB VAL 21 -6.826 -7.749 12.239 0.00 0.00 P C +ATOM 349 HB VAL 21 -7.286 -7.259 13.129 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -7.046 -9.329 12.169 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -6.856 -9.759 13.169 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -8.106 -9.449 11.849 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.266 -9.659 11.459 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.396 -7.379 12.359 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -4.756 -8.079 11.779 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -5.166 -6.319 12.149 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.016 -7.439 13.399 0.00 0.00 P H +ATOM 358 C VAL 21 -7.846 -5.759 10.999 0.00 0.00 P C +ATOM 359 O VAL 21 -7.276 -4.869 10.339 0.00 0.00 P O +ATOM 360 N ALA 22 -8.906 -5.519 11.769 0.00 0.00 P N +ATOM 361 HN ALA 22 -9.416 -6.289 12.149 0.00 0.00 P H +ATOM 362 CA ALA 22 -9.436 -4.259 12.089 0.00 0.00 P C +ATOM 363 HA ALA 22 -9.466 -3.719 11.149 0.00 0.00 P H +ATOM 364 CB ALA 22 -10.846 -4.299 12.609 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -11.416 -5.199 12.319 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -10.926 -4.419 13.709 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -11.456 -3.459 12.209 0.00 0.00 P H +ATOM 368 C ALA 22 -8.466 -3.409 12.959 0.00 0.00 P C +ATOM 369 O ALA 22 -7.546 -3.889 13.539 0.00 0.00 P O +ATOM 370 N ASP 23 -8.686 -2.039 13.069 0.00 0.00 P N +ATOM 371 HN ASP 23 -9.316 -1.559 12.459 0.00 0.00 P H +ATOM 372 CA ASP 23 -7.826 -1.369 14.089 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.826 -1.749 14.249 0.00 0.00 P H +ATOM 374 CB ASP 23 -7.666 0.171 13.739 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -8.616 0.651 13.409 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.266 0.821 14.549 0.00 0.00 P H +ATOM 377 CG ASP 23 -6.646 0.421 12.579 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -5.826 -0.519 12.269 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -6.666 1.551 12.069 0.00 0.00 P O +ATOM 380 C ASP 23 -8.396 -1.479 15.489 0.00 0.00 P C +ATOM 381 O ASP 23 -7.666 -1.829 16.409 0.00 0.00 P O +ATOM 382 N GLY 24 -9.696 -1.199 15.609 0.00 0.00 P N +ATOM 383 HN GLY 24 -10.176 -0.789 14.839 0.00 0.00 P H +ATOM 384 CA GLY 24 -10.556 -1.289 16.809 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -10.096 -1.689 17.699 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -10.936 -0.309 17.049 0.00 0.00 P H +ATOM 387 C GLY 24 -11.786 -2.189 16.479 0.00 0.00 P C +ATOM 388 O GLY 24 -11.706 -3.229 15.859 0.00 0.00 P O +ATOM 389 N TYR 25 -12.876 -1.749 16.969 0.00 0.00 P N +ATOM 390 HN TYR 25 -12.906 -0.929 17.539 0.00 0.00 P H +ATOM 391 CA TYR 25 -14.016 -2.539 16.979 0.00 0.00 P C +ATOM 392 HA TYR 25 -13.776 -3.589 16.909 0.00 0.00 P H +ATOM 393 CB TYR 25 -14.736 -2.439 18.329 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -15.006 -1.359 18.359 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -15.656 -3.049 18.499 0.00 0.00 P H +ATOM 396 CG TYR 25 -13.796 -2.569 19.509 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -13.666 -3.879 20.169 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -13.996 -4.849 19.809 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -13.176 -4.079 21.419 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -13.346 -5.029 21.899 0.00 0.00 P H +ATOM 401 CZ TYR 25 -12.656 -2.939 22.049 0.00 0.00 P C +ATOM 402 OH TYR 25 -12.066 -3.249 23.349 0.00 0.00 P O +ATOM 403 HH TYR 25 -11.546 -2.489 23.609 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -13.306 -1.489 20.289 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -13.306 -0.499 19.869 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -12.496 -1.689 21.469 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -12.136 -0.859 22.069 0.00 0.00 P H +ATOM 408 C TYR 25 -14.956 -2.079 15.809 0.00 0.00 P C +ATOM 409 O TYR 25 -16.146 -1.959 15.629 0.00 0.00 P O +ATOM 410 N ALA 26 -14.206 -1.549 14.799 0.00 0.00 P N +ATOM 411 HN ALA 26 -13.216 -1.599 14.759 0.00 0.00 P H +ATOM 412 CA ALA 26 -14.716 -1.239 13.519 0.00 0.00 P C +ATOM 413 HA ALA 26 -15.076 -2.149 13.069 0.00 0.00 P H +ATOM 414 CB ALA 26 -15.756 -0.009 13.379 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -16.656 -0.369 12.839 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -16.016 0.321 14.409 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -15.226 0.871 12.949 0.00 0.00 P H +ATOM 418 C ALA 26 -13.396 -1.109 12.689 0.00 0.00 P C +ATOM 419 O ALA 26 -12.286 -1.219 13.149 0.00 0.00 P O +ATOM 420 N ASN 27 -13.406 -0.999 11.349 0.00 0.00 P N +ATOM 421 HN ASN 27 -14.246 -0.659 10.939 0.00 0.00 P H +ATOM 422 CA ASN 27 -12.176 -1.139 10.519 0.00 0.00 P C +ATOM 423 HA ASN 27 -11.566 -1.899 10.989 0.00 0.00 P H +ATOM 424 CB ASN 27 -12.576 -1.539 9.129 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -11.576 -1.749 8.679 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -13.156 -2.489 9.159 0.00 0.00 P H +ATOM 427 CG ASN 27 -13.416 -0.419 8.339 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -13.626 0.661 8.739 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -13.876 -0.759 7.099 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -13.366 -1.459 6.599 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -14.556 -0.219 6.609 0.00 0.00 P H +ATOM 432 C ASN 27 -11.306 0.251 10.539 0.00 0.00 P C +ATOM 433 O ASN 27 -10.166 0.161 10.149 0.00 0.00 P O +ATOM 434 N ASN 28 -11.866 1.501 10.979 0.00 0.00 P N +ATOM 435 HN ASN 28 -12.736 1.341 11.429 0.00 0.00 P H +ATOM 436 CA ASN 28 -11.186 2.731 11.309 0.00 0.00 P C +ATOM 437 HA ASN 28 -11.926 3.431 11.659 0.00 0.00 P H +ATOM 438 CB ASN 28 -10.136 2.471 12.349 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -10.686 1.871 13.109 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -9.406 1.891 11.739 0.00 0.00 P H +ATOM 441 CG ASN 28 -9.596 3.711 12.909 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -10.136 4.821 12.859 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -8.316 3.651 13.309 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -7.986 4.261 14.029 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -7.686 2.981 12.919 0.00 0.00 P H +ATOM 446 C ASN 28 -10.656 3.481 9.999 0.00 0.00 P C +ATOM 447 O ASN 28 -9.746 4.251 9.969 0.00 0.00 P O +ATOM 448 N PHE 29 -11.386 3.201 8.929 0.00 0.00 P N +ATOM 449 HN PHE 29 -12.256 2.721 9.029 0.00 0.00 P H +ATOM 450 CA PHE 29 -10.966 3.561 7.579 0.00 0.00 P C +ATOM 451 HA PHE 29 -10.036 4.111 7.589 0.00 0.00 P H +ATOM 452 CB PHE 29 -10.966 2.261 6.639 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -10.246 1.591 7.169 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -11.956 1.781 6.479 0.00 0.00 P H +ATOM 455 CG PHE 29 -10.366 2.291 5.289 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -9.376 3.331 5.169 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -9.076 4.091 5.869 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -8.696 3.241 3.929 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -7.826 3.851 3.759 0.00 0.00 P H +ATOM 460 CZ PHE 29 -8.936 2.421 2.859 0.00 0.00 P C +ATOM 461 HZ PHE 29 -8.396 2.751 1.989 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -10.676 1.451 4.249 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -11.366 0.661 4.499 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.026 1.531 2.999 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.176 0.831 2.189 0.00 0.00 P H +ATOM 466 C PHE 29 -12.046 4.521 7.089 0.00 0.00 P C +ATOM 467 O PHE 29 -13.036 4.171 6.419 0.00 0.00 P O +ATOM 468 N LEU 30 -11.886 5.791 7.509 0.00 0.00 P N +ATOM 469 HN LEU 30 -11.196 6.121 8.149 0.00 0.00 P H +ATOM 470 CA LEU 30 -12.656 6.861 6.909 0.00 0.00 P C +ATOM 471 HA LEU 30 -13.186 6.521 6.039 0.00 0.00 P H +ATOM 472 CB LEU 30 -13.686 7.371 7.959 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -13.546 6.791 8.899 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -13.536 8.451 8.189 0.00 0.00 P H +ATOM 475 CG LEU 30 -15.056 7.181 7.549 0.00 0.00 P C +ATOM 476 HG LEU 30 -15.086 6.071 7.499 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -16.056 7.641 8.619 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -15.906 8.741 8.589 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -17.066 7.271 8.339 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -15.766 7.221 9.599 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -15.486 7.771 6.209 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -16.346 7.171 5.859 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -15.816 8.821 6.389 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -14.626 7.671 5.509 0.00 0.00 P H +ATOM 485 C LEU 30 -11.566 7.981 6.469 0.00 0.00 P C +ATOM 486 O LEU 30 -10.416 8.071 6.949 0.00 0.00 P O +ATOM 487 N PHE 31 -12.086 8.881 5.519 0.00 0.00 P N +ATOM 488 HN PHE 31 -13.036 8.841 5.199 0.00 0.00 P H +ATOM 489 CA PHE 31 -11.436 10.081 4.949 0.00 0.00 P C +ATOM 490 HA PHE 31 -10.406 9.821 5.129 0.00 0.00 P H +ATOM 491 CB PHE 31 -11.746 10.201 3.389 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -11.316 11.101 2.889 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -11.436 9.201 3.009 0.00 0.00 P H +ATOM 494 CG PHE 31 -13.216 10.301 3.099 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -13.846 11.531 3.129 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -13.216 12.401 3.049 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -15.126 11.711 2.769 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -15.566 12.691 2.849 0.00 0.00 P H +ATOM 499 CZ PHE 31 -15.906 10.631 2.689 0.00 0.00 P C +ATOM 500 HZ PHE 31 -16.976 10.731 2.689 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -14.116 9.211 2.919 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -13.856 8.171 2.979 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -15.466 9.421 2.939 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -16.116 8.571 2.869 0.00 0.00 P H +ATOM 505 C PHE 31 -11.806 11.391 5.759 0.00 0.00 P C +ATOM 506 O PHE 31 -12.706 11.521 6.499 0.00 0.00 P O +ATOM 507 N LYS 32 -11.076 12.511 5.629 0.00 0.00 P N +ATOM 508 HN LYS 32 -10.316 12.601 4.989 0.00 0.00 P H +ATOM 509 CA LYS 32 -11.416 13.731 6.309 0.00 0.00 P C +ATOM 510 HA LYS 32 -11.946 13.581 7.239 0.00 0.00 P H +ATOM 511 CB LYS 32 -10.206 14.651 6.539 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -9.726 14.871 5.559 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -10.606 15.611 6.929 0.00 0.00 P H +ATOM 514 CG LYS 32 -9.256 14.281 7.659 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -9.896 14.201 8.569 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.776 13.281 7.619 0.00 0.00 P H +ATOM 517 CD LYS 32 -8.146 15.181 7.779 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -7.456 15.041 6.919 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -8.646 16.171 7.689 0.00 0.00 P H +ATOM 520 CE LYS 32 -7.276 15.211 9.069 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -6.976 14.151 9.209 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -6.366 15.851 9.069 0.00 0.00 P H +ATOM 523 NZ LYS 32 -7.926 15.721 10.239 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -8.596 16.431 9.869 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -8.266 14.971 10.859 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -7.246 16.401 10.649 0.00 0.00 P H +ATOM 527 C LYS 32 -12.436 14.481 5.449 0.00 0.00 P C +ATOM 528 O LYS 32 -12.326 14.501 4.219 0.00 0.00 P O +ATOM 529 N GLN 33 -13.336 15.171 6.159 0.00 0.00 P N +ATOM 530 HN GLN 33 -13.506 14.901 7.109 0.00 0.00 P H +ATOM 531 CA GLN 33 -14.386 15.991 5.629 0.00 0.00 P C +ATOM 532 HA GLN 33 -14.636 16.601 6.479 0.00 0.00 P H +ATOM 533 CB GLN 33 -13.826 17.211 4.699 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -12.986 16.791 4.119 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -14.656 17.441 3.999 0.00 0.00 P H +ATOM 536 CG GLN 33 -13.316 18.561 5.459 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -12.736 18.291 6.369 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -12.646 19.041 4.719 0.00 0.00 P H +ATOM 539 CD GLN 33 -14.576 19.481 5.759 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -15.666 19.051 6.149 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -14.406 20.851 5.839 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -14.926 21.581 6.289 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -13.526 21.121 5.429 0.00 0.00 P H +ATOM 544 C GLN 33 -15.636 15.401 5.029 0.00 0.00 P C +ATOM 545 O GLN 33 -15.636 14.221 4.609 0.00 0.00 P O +ATOM 546 N GLY 34 -16.776 16.171 5.229 0.00 0.00 P N +ATOM 547 HN GLY 34 -16.786 17.081 5.609 0.00 0.00 P H +ATOM 548 CA GLY 34 -18.076 15.981 4.679 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -18.326 15.041 5.149 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -18.646 16.861 4.909 0.00 0.00 P H +ATOM 551 C GLY 34 -18.096 15.911 3.149 0.00 0.00 P C +ATOM 552 O GLY 34 -17.076 16.121 2.379 0.00 0.00 P O +ATOM 553 N LEU 35 -19.306 15.911 2.529 0.00 0.00 P N +ATOM 554 HN LEU 35 -20.226 15.781 2.899 0.00 0.00 P H +ATOM 555 CA LEU 35 -19.396 15.831 0.989 0.00 0.00 P C +ATOM 556 HA LEU 35 -18.536 16.421 0.719 0.00 0.00 P H +ATOM 557 CB LEU 35 -19.296 14.371 0.489 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -19.046 14.281 -0.591 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -18.416 13.931 1.009 0.00 0.00 P H +ATOM 560 CG LEU 35 -20.536 13.411 0.699 0.00 0.00 P C +ATOM 561 HG LEU 35 -21.066 13.751 1.609 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -21.556 13.661 -0.531 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -22.546 13.281 -0.211 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -21.736 14.741 -0.721 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -21.266 13.181 -1.491 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -19.996 11.991 0.819 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -19.586 11.781 1.829 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -20.806 11.261 0.589 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -19.176 11.941 0.069 0.00 0.00 P H +ATOM 570 C LEU 35 -20.726 16.611 0.539 0.00 0.00 P C +ATOM 571 O LEU 35 -21.716 16.641 1.129 0.00 0.00 P O +ATOM 572 N ALA 36 -20.496 17.441 -0.491 0.00 0.00 P N +ATOM 573 HN ALA 36 -19.616 17.361 -0.941 0.00 0.00 P H +ATOM 574 CA ALA 36 -21.526 18.451 -1.061 0.00 0.00 P C +ATOM 575 HA ALA 36 -22.536 18.151 -0.801 0.00 0.00 P H +ATOM 576 CB ALA 36 -21.336 19.851 -0.501 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -20.366 20.351 -0.721 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -22.186 20.531 -0.691 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -21.306 19.651 0.599 0.00 0.00 P H +ATOM 580 C ALA 36 -21.316 18.511 -2.601 0.00 0.00 P C +ATOM 581 O ALA 36 -20.256 18.161 -3.151 0.00 0.00 P O +ATOM 582 N ILE 37 -22.226 19.221 -3.391 0.00 0.00 P N +ATOM 583 HN ILE 37 -22.996 19.671 -2.951 0.00 0.00 P H +ATOM 584 CA ILE 37 -22.196 19.111 -4.741 0.00 0.00 P C +ATOM 585 HA ILE 37 -21.816 18.171 -5.101 0.00 0.00 P H +ATOM 586 CB ILE 37 -23.526 19.071 -5.241 0.00 0.00 P C +ATOM 587 HB ILE 37 -24.126 18.231 -4.821 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -24.236 20.361 -4.761 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -25.256 20.281 -5.181 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -24.446 20.251 -3.671 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -23.636 21.251 -5.061 0.00 0.00 P H +ATOM 592 CG1 ILE 37 -23.536 18.731 -6.801 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -22.956 19.491 -7.361 0.00 0.00 P H +ATOM 594 HG12 ILE 37 -22.966 17.781 -6.711 0.00 0.00 P H +ATOM 595 CD ILE 37 -24.866 18.381 -7.511 0.00 0.00 P C +ATOM 596 HD1 ILE 37 -25.506 19.211 -7.141 0.00 0.00 P H +ATOM 597 HD2 ILE 37 -24.706 18.261 -8.601 0.00 0.00 P H +ATOM 598 HD3 ILE 37 -25.216 17.411 -7.091 0.00 0.00 P H +ATOM 599 C ILE 37 -21.256 20.151 -5.321 0.00 0.00 P C +ATOM 600 O ILE 37 -20.966 21.211 -4.671 0.00 0.00 P O +ATOM 601 N GLU 38 -20.716 19.951 -6.581 0.00 0.00 P N +ATOM 602 HN GLU 38 -20.726 19.071 -7.051 0.00 0.00 P H +ATOM 603 CA GLU 38 -19.856 20.991 -7.131 0.00 0.00 P C +ATOM 604 HA GLU 38 -19.166 21.381 -6.391 0.00 0.00 P H +ATOM 605 CB GLU 38 -18.846 20.121 -8.111 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -19.606 19.511 -8.651 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -18.266 20.761 -8.811 0.00 0.00 P H +ATOM 608 CG GLU 38 -17.876 19.291 -7.251 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -17.276 19.931 -6.571 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -18.476 18.501 -6.741 0.00 0.00 P H +ATOM 611 CD GLU 38 -16.916 18.591 -8.091 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -15.726 18.351 -7.681 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -17.256 18.231 -9.301 0.00 0.00 P O +ATOM 614 C GLU 38 -20.636 22.011 -8.111 0.00 0.00 P C +ATOM 615 O GLU 38 -19.906 22.651 -8.841 0.00 0.00 P O +ATOM 616 N ALA 39 -21.926 22.131 -8.061 0.00 0.00 P N +ATOM 617 HN ALA 39 -22.416 21.631 -7.361 0.00 0.00 P H +ATOM 618 CA ALA 39 -22.626 22.891 -9.111 0.00 0.00 P C +ATOM 619 HA ALA 39 -21.976 23.361 -9.831 0.00 0.00 P H +ATOM 620 CB ALA 39 -23.696 21.981 -9.581 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -23.216 21.351 -10.361 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -24.276 21.221 -9.011 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -24.376 22.621 -10.181 0.00 0.00 P H +ATOM 624 C ALA 39 -23.296 24.201 -8.451 0.00 0.00 P C +ATOM 625 O ALA 39 -23.476 24.271 -7.231 0.00 0.00 P O +ATOM 626 NT ALA 39 -23.606 25.231 -9.221 0.00 0.00 P N +ATOM 627 HNT ALA 39 -23.276 25.161 -10.151 0.00 0.00 P H +ATOM 628 CAT ALA 39 -24.526 26.241 -9.001 0.00 0.00 P C +ATOM 629 HT1 ALA 39 -24.426 26.621 -7.961 0.00 0.00 P H +ATOM 630 HT2 ALA 39 -24.316 27.181 -9.551 0.00 0.00 P H +ATOM 631 HT3 ALA 39 -25.606 26.031 -9.191 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 6.075 4.690 16.121 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 6.385 5.600 16.111 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 5.505 4.640 16.901 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 -5.934 -20.213 -20.475 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 -6.494 -20.543 -21.175 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 -5.734 -19.313 -20.725 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 11.016 2.140 3.422 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 11.056 3.050 3.132 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 11.786 1.720 3.032 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -7.507 20.810 -23.407 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -8.047 21.430 -22.907 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -7.747 20.990 -24.317 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 5.465 -21.133 -10.987 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 5.185 -21.083 -11.907 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.005 -21.923 -10.937 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 -17.215 5.975 -5.913 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 -16.665 5.195 -5.893 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 -16.735 6.595 -6.463 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 16.717 -3.467 13.377 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 16.027 -2.937 13.767 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 17.207 -2.847 12.837 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -18.636 -16.682 22.777 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -18.066 -17.392 23.077 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -18.036 -16.022 22.437 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 -8.772 22.888 8.408 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 -8.562 22.658 7.508 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 -8.822 23.848 8.408 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 -22.146 -19.185 -8.041 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 -22.156 -18.385 -7.511 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 -21.726 -19.845 -7.491 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 23.056 -6.814 -15.481 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 23.286 -6.204 -16.181 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 22.376 -6.364 -14.981 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 7.857 14.293 9.242 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 7.977 14.263 10.192 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 8.707 14.573 8.902 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 -20.904 4.416 21.622 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 -21.434 3.796 22.122 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 -20.544 3.896 20.902 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 -24.799 12.350 14.217 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 -24.609 11.650 13.597 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 -25.639 12.100 14.607 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 15.424 -9.144 5.331 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 15.984 -9.624 5.941 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 14.574 -9.114 5.771 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 23.590 11.313 -12.893 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 23.880 10.613 -12.303 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 24.300 11.953 -12.893 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 21.255 6.770 -6.802 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 20.445 6.940 -7.272 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 21.405 7.560 -6.282 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 9.147 -21.011 6.370 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 9.827 -20.731 5.760 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 8.927 -20.221 6.870 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -4.429 13.775 -3.564 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -4.489 13.935 -4.504 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -4.139 14.615 -3.194 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 -19.280 -8.676 23.925 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 -18.740 -8.566 23.145 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 -18.860 -8.126 24.585 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 3.807 10.577 23.797 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 3.827 11.157 23.037 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 4.287 9.797 23.517 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 13.726 -25.101 22.196 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 13.026 -24.531 22.516 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 14.146 -24.601 21.506 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -17.232 12.445 -16.859 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -17.052 11.605 -16.439 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -16.912 13.095 -16.229 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 -20.009 4.611 -10.669 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 -20.369 4.891 -11.509 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 -20.529 3.841 -10.429 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 14.507 -14.393 -5.809 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 13.827 -14.723 -6.399 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 14.037 -14.013 -5.069 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -6.242 22.158 23.527 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -5.592 21.588 23.117 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -6.912 21.558 23.847 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -25.016 -10.216 -0.753 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -24.606 -9.806 -1.513 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -25.026 -9.536 -0.083 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 24.621 -4.269 -0.279 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 25.521 -4.229 0.051 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 24.151 -3.609 0.231 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -20.629 -21.368 -7.221 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -20.209 -20.828 -6.541 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -20.249 -22.238 -7.101 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 23.694 17.043 -0.733 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 24.614 17.023 -0.983 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 23.424 17.953 -0.863 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 -17.821 -3.107 13.656 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 -18.081 -3.757 14.316 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 -17.031 -2.697 14.016 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 3.680 2.896 23.179 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 2.920 2.706 23.729 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 4.290 2.186 23.359 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 -21.251 11.531 22.843 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 -21.111 11.101 23.683 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 -20.381 11.851 22.583 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 10.676 -6.405 -12.657 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 11.496 -5.985 -12.407 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 10.186 -5.725 -13.117 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 -11.760 -12.548 5.509 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 -11.130 -13.208 5.239 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 -11.730 -12.568 6.469 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -23.046 -10.010 -23.676 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -23.316 -10.880 -23.356 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -22.156 -10.140 -23.996 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 -9.049 -12.987 0.906 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 -8.969 -13.227 1.826 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 -9.899 -13.337 0.646 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 4.364 21.707 24.509 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 4.164 22.157 25.329 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 5.284 21.907 24.349 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -10.944 -9.340 15.416 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -11.834 -8.990 15.356 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -10.694 -9.190 16.326 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 20.846 -11.991 15.909 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 20.546 -11.901 15.009 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 20.626 -12.891 16.149 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -13.849 24.981 4.625 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -13.399 25.731 4.225 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -13.499 24.941 5.515 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 2.373 -9.007 -3.800 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 2.603 -9.137 -2.880 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 3.073 -8.457 -4.140 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 22.620 13.696 3.202 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 22.080 14.126 2.542 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 22.490 12.756 3.052 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 15.319 16.352 -18.189 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 14.689 16.862 -18.699 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 14.819 16.032 -17.439 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 -3.234 -7.676 -21.111 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 -2.454 -7.266 -21.471 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 -3.614 -7.006 -20.541 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 9.529 -17.260 14.030 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 10.069 -17.610 14.740 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 8.709 -17.020 14.460 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 -23.941 -14.137 -10.765 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 -23.351 -13.777 -10.105 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 -23.641 -15.027 -10.905 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -21.584 -4.765 15.412 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -21.444 -4.265 14.612 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -22.414 -5.225 15.272 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 -23.753 19.752 -18.188 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 -23.723 19.252 -19.008 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 -23.423 20.612 -18.428 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 -1.046 9.684 -4.611 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 -0.856 10.624 -4.571 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 -0.206 9.264 -4.451 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 21.584 14.734 5.334 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 22.064 14.254 4.654 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 21.774 15.654 5.144 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 22.358 8.675 9.220 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 22.118 8.225 8.410 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 22.708 7.985 9.780 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 25.036 -8.358 17.665 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 24.316 -7.818 17.325 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 24.606 -9.058 18.155 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 19.174 10.909 -13.044 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 20.104 10.709 -12.904 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 19.174 11.569 -13.744 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 7.245 -7.622 3.210 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 7.445 -8.462 3.610 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 6.305 -7.652 3.020 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -4.389 13.086 -9.386 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -3.569 13.576 -9.396 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -4.479 12.756 -10.276 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 15.864 19.241 2.731 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.304 19.021 1.981 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 15.904 18.431 3.241 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 16.799 6.227 14.641 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 17.679 6.447 14.941 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 16.669 6.737 13.851 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 21.110 -13.907 -15.359 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 20.820 -14.527 -14.699 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 20.480 -13.197 -15.319 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -6.935 1.301 -6.043 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -6.245 1.961 -6.033 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -7.745 1.801 -6.133 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 -1.987 -11.347 24.303 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 -2.717 -10.747 24.203 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 -1.277 -10.947 23.813 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 24.645 19.493 -24.084 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 24.525 20.153 -23.394 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 24.145 18.743 -23.784 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -8.833 15.795 17.647 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -7.933 15.795 17.327 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -8.743 15.805 18.597 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -17.985 -2.731 24.727 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -17.785 -3.361 24.027 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -17.335 -2.911 25.407 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -8.524 6.164 -3.754 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -8.544 5.304 -4.184 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -8.874 6.774 -4.404 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 12.551 -4.774 -11.810 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 12.142 -5.084 -11.010 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 12.142 -3.924 -11.990 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -18.629 -2.819 21.325 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -19.519 -2.469 21.255 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -18.059 -2.059 21.295 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -10.933 20.351 16.983 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -11.253 21.241 17.083 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -9.973 20.431 16.963 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -22.354 -14.805 0.756 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -22.714 -14.765 -0.134 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -21.424 -14.965 0.626 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -2.729 -10.875 15.120 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -2.849 -10.785 14.170 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -1.779 -10.805 15.250 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -24.329 -11.902 10.922 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -24.049 -11.202 11.512 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -23.519 -12.222 10.532 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 -20.172 23.675 -4.993 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 -19.262 23.755 -5.253 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 -20.212 22.875 -4.473 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 8.623 15.254 -20.278 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 8.323 14.374 -20.068 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 9.543 15.154 -20.508 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 15.571 -16.606 17.366 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 14.911 -16.876 16.736 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 15.892 -15.766 17.036 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 15.637 20.360 8.886 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 16.517 20.470 9.236 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 15.777 20.080 7.976 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 8.787 -11.086 24.320 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 8.147 -10.406 24.490 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 8.587 -11.776 24.940 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 -8.852 -3.752 6.392 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 -8.602 -2.852 6.192 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 -8.022 -4.242 6.382 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -12.297 12.629 -9.090 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -12.327 11.719 -8.790 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -12.037 13.129 -8.320 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -16.789 -17.114 -2.732 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -16.769 -16.254 -2.312 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -15.869 -17.334 -2.892 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 -17.792 23.768 -9.071 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 -18.532 23.158 -9.141 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 -17.172 23.318 -8.501 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 -6.456 -23.931 21.376 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 -7.206 -23.941 20.786 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 -5.906 -23.221 21.056 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -16.570 -19.288 10.019 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -15.620 -19.248 9.929 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -16.870 -19.798 9.259 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 -17.446 16.712 -4.244 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 -17.706 16.362 -5.094 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 -18.256 17.052 -3.864 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -9.240 14.743 -13.703 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -10.150 14.883 -13.943 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -8.770 15.483 -14.073 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 14.179 1.901 -19.587 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 14.219 2.761 -20.007 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 13.659 1.361 -20.177 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -18.051 14.001 24.299 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -18.891 14.381 24.569 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -18.291 13.251 23.749 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 -24.209 -12.968 14.729 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 -23.259 -12.888 14.749 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 -24.429 -12.978 13.799 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -13.974 15.673 1.709 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -14.884 15.393 1.609 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -13.674 15.233 2.499 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 6.701 22.097 22.952 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 6.301 21.247 22.812 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 6.501 22.587 22.152 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -12.977 13.261 -16.941 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -12.787 13.291 -17.871 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -12.917 12.341 -16.711 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 -1.536 -10.496 -15.888 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 -2.456 -10.746 -15.778 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 -1.576 -9.606 -16.238 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 23.589 -3.020 -11.704 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 23.699 -2.070 -11.564 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 22.819 -3.240 -11.184 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 -24.795 -7.961 -14.418 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 -25.385 -8.101 -15.168 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 -23.935 -7.851 -14.818 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 18.827 -0.651 5.519 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 19.307 -0.771 6.339 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 18.077 -1.251 5.589 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 1.584 17.513 -8.679 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 1.554 17.243 -9.589 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 2.164 16.883 -8.249 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 11.421 24.684 4.131 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 10.971 23.834 4.141 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 10.921 25.234 4.731 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 -0.173 10.670 -2.069 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 0.627 10.600 -2.589 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 -0.353 9.770 -1.779 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 10.043 -4.237 -16.203 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 10.013 -3.287 -16.133 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 9.323 -4.547 -15.663 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 -9.419 -15.751 -2.329 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 -8.599 -15.281 -2.179 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 -9.499 -15.781 -3.279 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 24.909 1.391 -7.609 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 25.379 0.801 -7.019 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 24.989 2.251 -7.189 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 24.815 15.052 23.814 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 23.925 15.392 23.774 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 25.375 15.832 23.854 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -12.706 23.962 -15.388 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -11.766 23.932 -15.538 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -12.836 23.462 -14.588 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 7.473 7.137 -11.875 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 6.593 6.887 -11.585 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 8.013 6.357 -11.725 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 21.468 -23.240 17.587 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 22.038 -22.830 18.227 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 21.708 -24.170 17.617 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -0.871 -15.175 17.317 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -1.551 -15.775 17.017 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -0.851 -15.295 18.267 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -7.064 -19.845 4.457 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -7.804 -19.255 4.317 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -6.794 -19.685 5.357 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 23.317 -17.248 -16.147 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 22.897 -17.068 -15.307 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 23.067 -18.148 -16.347 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -14.262 20.515 -15.734 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -13.482 21.035 -15.954 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -14.262 19.805 -16.374 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 6.990 -16.973 5.483 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 7.090 -17.523 6.263 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 7.800 -17.123 4.983 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.194 -20.676 8.441 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 14.234 -20.566 7.491 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.964 -20.226 8.771 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -9.463 5.029 -11.931 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -10.273 4.699 -12.311 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -9.423 4.639 -11.061 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 6.438 13.400 -9.958 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 6.338 13.990 -10.698 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 6.628 12.550 -10.348 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 -6.726 16.681 -10.461 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 -6.436 16.451 -11.351 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 -6.146 17.401 -10.211 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 -15.237 4.383 11.811 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 -15.327 3.533 12.241 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 -15.827 4.323 11.051 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 8.685 -8.153 -13.820 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 9.245 -8.623 -14.430 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 9.215 -7.413 -13.520 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -8.415 3.253 -21.333 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -9.035 3.493 -22.023 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -7.595 3.083 -21.793 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -6.237 9.368 13.703 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -5.417 9.748 13.403 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -6.617 8.968 12.923 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -7.751 4.711 -9.158 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -7.921 5.591 -9.488 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -6.811 4.601 -9.248 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -8.105 21.666 17.385 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -7.525 21.806 18.135 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -8.545 22.516 17.265 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -14.415 -20.684 6.519 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -14.135 -20.034 7.169 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -15.015 -21.254 6.999 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 -17.282 16.472 13.825 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 -17.352 15.902 13.065 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 -17.722 17.282 13.555 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -14.301 -19.427 20.412 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -14.891 -19.257 21.152 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -13.521 -19.817 20.812 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 18.980 8.158 13.116 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 19.470 7.618 12.486 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 19.490 8.958 13.206 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 -0.261 -0.917 -2.202 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 -0.431 -0.007 -1.962 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 0.519 -1.157 -1.722 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 -19.579 6.659 -2.789 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 -19.539 5.749 -3.089 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 -19.229 7.169 -3.519 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 2.038 23.919 -4.659 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 2.938 24.159 -4.869 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 2.118 23.189 -4.049 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -4.684 -3.742 20.391 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -5.544 -3.692 20.811 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -4.584 -2.902 19.941 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 2.338 15.066 18.415 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 2.518 15.846 17.895 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 1.508 14.736 18.075 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -16.016 -13.569 -3.136 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -15.216 -13.929 -2.746 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -16.646 -13.539 -2.416 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 1.138 13.971 -8.648 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 1.968 14.151 -8.218 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 1.298 14.151 -9.568 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 -2.551 24.613 -22.198 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 -3.121 25.373 -22.108 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 -1.691 24.933 -21.938 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 -9.963 1.769 -11.878 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 -10.793 2.179 -11.628 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 -10.203 0.869 -12.108 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 3.379 18.464 -18.461 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 3.199 19.254 -18.971 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 3.539 17.784 -19.121 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 -22.623 11.229 -14.999 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 -22.413 10.319 -14.819 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 -21.813 11.609 -15.349 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 0.353 2.421 0.322 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -0.037 3.091 0.872 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -0.377 1.831 0.102 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 24.304 4.619 4.466 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 24.204 4.699 3.516 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 24.324 3.669 4.626 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 3.505 11.657 -9.439 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 2.565 11.617 -9.269 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 3.765 12.517 -9.109 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 15.511 14.963 14.432 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 15.821 14.683 13.572 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 14.571 15.043 14.332 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 12.084 -21.922 -3.585 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 12.854 -21.402 -3.355 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 12.294 -22.302 -4.435 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 -18.427 -8.245 -15.572 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 -19.207 -8.255 -15.022 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 -18.757 -8.115 -16.462 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -22.655 24.073 -16.151 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -22.055 24.463 -15.511 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -22.855 24.783 -16.751 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 14.048 8.201 -12.810 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 14.108 7.461 -12.210 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 14.868 8.171 -13.310 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 2.724 9.423 0.005 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 2.594 8.863 0.765 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 2.164 9.053 -0.675 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -2.714 1.880 21.921 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -2.844 2.260 22.781 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -3.594 1.780 21.561 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 0.565 -18.071 16.892 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 1.325 -18.661 16.882 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 0.375 -17.911 15.962 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 -16.790 -2.591 -10.683 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 -16.420 -3.471 -10.603 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 -16.030 -2.021 -10.743 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 19.390 18.494 -10.924 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 18.490 18.294 -11.194 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 19.920 17.874 -11.424 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 4.381 17.888 -9.261 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 3.651 17.688 -9.841 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 4.971 18.438 -9.781 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -14.084 19.459 23.549 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -14.644 20.229 23.419 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -13.594 19.389 22.729 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 -8.012 -17.181 14.117 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 -8.892 -16.821 14.197 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 -7.582 -16.971 14.947 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 10.217 -8.477 0.276 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 10.757 -7.727 0.506 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 10.837 -9.167 0.046 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 20.369 -0.136 10.897 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 20.629 0.624 10.387 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 20.959 -0.836 10.617 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 21.193 -23.947 -9.320 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 20.323 -23.737 -8.980 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 21.723 -23.177 -9.100 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -16.199 -7.520 -18.499 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -16.569 -8.210 -19.049 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -15.299 -7.810 -18.339 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -5.740 -20.112 22.142 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -4.940 -20.352 22.592 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -5.760 -19.152 22.172 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 23.280 8.636 -12.073 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 22.370 8.496 -12.363 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 23.790 8.026 -12.593 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 -14.339 -18.862 -9.180 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 -14.779 -18.192 -9.700 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 -13.859 -18.372 -8.510 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 22.861 21.750 11.249 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 22.991 21.050 10.599 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 23.131 21.360 12.079 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 -17.010 15.131 -21.672 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 -16.260 14.821 -21.152 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 -17.750 15.111 -21.062 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 -13.554 -19.845 10.096 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 -14.104 -20.635 10.126 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 -12.684 -20.175 9.906 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 25.340 -21.384 4.865 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 25.100 -20.684 5.465 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 24.710 -21.324 4.145 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 -3.550 -5.507 4.209 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 -3.460 -6.117 4.949 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 -3.560 -6.077 3.439 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 1.430 22.064 -21.512 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 2.110 22.434 -22.082 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 1.000 21.404 -22.052 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 -7.019 0.602 -1.147 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 -6.109 0.552 -1.437 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 -7.469 1.062 -1.857 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 5.065 11.076 -17.141 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 4.565 11.876 -17.341 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 5.385 11.216 -16.241 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 -9.526 9.195 22.522 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 -8.726 8.805 22.162 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 -9.456 10.125 22.302 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -15.446 -5.180 -21.655 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -15.126 -4.670 -20.915 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.476 -6.090 -21.335 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 22.110 11.056 1.096 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 23.000 10.766 0.876 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 21.640 11.056 0.266 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 8.231 14.993 -8.678 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 7.621 14.483 -9.218 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 9.041 14.483 -8.688 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -15.935 9.548 18.591 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -16.345 9.558 17.721 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -15.405 10.348 18.611 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 11.873 1.959 21.837 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 12.213 1.329 21.197 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 11.133 2.379 21.387 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 -1.391 12.971 12.187 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 -1.151 13.901 12.167 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 -1.371 12.701 11.267 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -1.406 -5.705 -21.998 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.046 -5.465 -22.858 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.016 -4.995 -21.788 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 11.480 14.872 -21.884 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 11.660 14.902 -20.944 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 12.100 15.492 -22.264 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 21.375 -17.029 3.539 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 21.335 -17.869 3.089 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 21.045 -17.209 4.419 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 -11.684 4.471 15.072 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 -11.614 5.011 15.862 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 -11.414 5.061 14.362 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 -2.105 5.268 -4.456 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 -2.205 6.178 -4.166 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 -1.405 5.308 -5.116 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 -17.222 11.436 11.574 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 -18.042 11.236 12.014 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 -17.182 12.386 11.544 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 16.267 -22.555 -23.318 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 15.797 -21.995 -23.928 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 15.907 -22.345 -22.458 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 -17.401 4.389 -10.215 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 -17.381 3.509 -9.835 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 -18.321 4.539 -10.435 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 19.669 -4.291 7.427 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 19.449 -4.651 6.567 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.129 -5.001 7.877 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 3.470 -4.572 15.407 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 3.430 -3.842 16.017 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 2.850 -4.342 14.717 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 -16.057 3.398 -13.133 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 -16.757 4.058 -13.053 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 -15.247 3.908 -13.123 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 -5.644 -16.782 22.576 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 -6.204 -17.132 23.276 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 -6.204 -16.792 21.796 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 -19.875 18.331 15.811 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 -20.495 17.971 16.451 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 -20.245 18.091 14.961 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 -5.407 9.440 24.014 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 -5.337 9.870 23.164 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 -6.167 8.870 23.924 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -11.913 13.697 -24.661 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -12.393 14.527 -24.641 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -12.363 13.177 -25.331 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 1.933 18.250 11.425 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 1.123 18.610 11.785 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 2.403 19.010 11.075 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -16.144 -5.264 24.056 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -15.374 -5.614 24.496 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -15.984 -5.454 23.126 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 -25.403 -7.809 23.309 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 -25.233 -6.959 22.889 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 -24.563 -8.079 23.669 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 -22.261 5.084 -1.315 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 -22.531 4.864 -2.205 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 -21.491 5.634 -1.415 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -0.395 -5.930 18.469 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -0.915 -6.590 18.019 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -0.625 -6.040 19.389 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 19.804 -14.528 22.595 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 20.224 -14.248 21.785 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 20.384 -15.218 22.925 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 -10.086 1.250 20.567 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 -10.126 1.920 21.257 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 -11.006 1.060 20.357 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 2.079 -5.538 -6.458 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 2.069 -5.028 -5.648 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 2.499 -4.978 -7.108 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -14.545 -18.097 -4.379 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -14.995 -17.997 -5.219 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -14.265 -19.017 -4.369 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 23.389 -17.077 -5.228 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 24.169 -16.807 -4.738 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 23.539 -17.997 -5.438 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 -13.025 -5.188 -11.071 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 -12.525 -5.918 -11.461 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 -13.545 -4.848 -11.791 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -1.649 13.580 -16.827 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -1.319 13.530 -15.927 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -2.389 12.980 -16.837 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 17.774 21.095 3.532 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 17.504 21.645 4.272 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 17.234 20.305 3.612 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -1.761 1.295 -1.428 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -1.791 0.445 -1.858 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -1.781 1.925 -2.158 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 10.609 -18.813 16.806 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 10.429 -18.773 17.746 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 10.679 -19.753 16.626 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -10.014 1.554 -6.108 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -9.644 1.464 -6.988 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -10.694 0.884 -6.078 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 10.109 11.582 -8.160 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 9.719 10.702 -8.140 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 10.269 11.792 -7.230 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 11.325 -19.942 -17.111 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 10.795 -20.202 -17.871 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 10.725 -19.412 -16.581 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -18.343 18.752 -11.993 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -18.323 18.552 -11.063 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -19.143 19.262 -12.113 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 25.204 -16.655 -9.541 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 24.984 -16.315 -10.401 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 24.444 -16.455 -9.001 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 -12.587 20.968 21.437 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 -13.017 21.628 21.967 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 -11.657 21.218 21.437 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 21.194 16.033 9.395 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 20.524 16.063 10.075 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 21.014 15.223 8.915 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 2.505 -25.104 -10.288 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.105 -24.814 -10.968 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 2.885 -24.784 -9.478 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 6.998 -13.938 -1.138 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 7.408 -13.378 -1.788 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 6.238 -14.308 -1.578 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 13.925 -24.855 -22.093 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 13.265 -24.605 -22.733 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 13.635 -25.705 -21.753 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 0.998 15.868 -18.947 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 1.518 16.278 -19.627 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 1.258 14.948 -18.947 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 8.807 23.313 -17.558 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 8.027 22.813 -17.808 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 8.677 24.173 -17.948 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 18.465 21.124 17.315 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 18.735 22.004 17.575 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 18.625 20.574 18.075 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -23.079 -1.039 -13.483 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -23.449 -1.779 -13.003 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -22.239 -0.869 -13.053 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 -0.992 16.745 -16.928 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 -0.422 15.975 -16.958 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 -1.012 16.995 -16.008 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 15.608 -4.993 -19.101 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 14.968 -5.043 -18.391 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 16.458 -5.023 -18.661 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 -24.674 -0.787 3.465 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 -24.544 -0.317 2.645 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 -24.584 -0.117 4.145 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 3.035 -23.706 0.595 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 3.075 -24.246 -0.205 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 3.655 -22.996 0.425 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 16.744 -10.340 13.049 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 16.514 -9.630 13.639 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 16.934 -9.920 12.209 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 5.744 24.610 9.676 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 6.584 25.060 9.556 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 5.894 24.010 10.406 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 12.959 -6.553 -16.320 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 13.559 -6.543 -15.570 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 12.649 -5.653 -16.390 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 16.131 5.928 -0.421 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 15.881 5.358 0.299 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 16.701 5.388 -0.971 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 -23.145 -4.388 0.816 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 -22.795 -4.278 1.706 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 -22.665 -3.738 0.296 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 1.936 -13.047 13.573 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 1.126 -13.497 13.323 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 2.486 -13.097 12.783 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 -7.725 6.866 2.613 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 -8.225 7.546 2.163 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 -7.345 7.306 3.363 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 5.493 -9.006 -6.820 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 6.163 -9.246 -6.180 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 5.673 -9.566 -7.570 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -18.565 9.141 -8.373 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -18.815 9.771 -9.043 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -19.155 8.401 -8.503 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 7.359 -6.949 -9.660 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 7.189 -6.969 -8.720 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 8.159 -6.429 -9.750 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 -9.845 15.354 22.251 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 -9.345 14.814 22.861 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 -9.855 14.854 21.441 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 1.016 24.624 20.555 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 1.526 24.054 19.975 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 1.166 25.504 20.205 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 -23.459 21.429 8.486 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 -23.079 21.229 7.636 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 -23.239 22.349 8.636 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 23.423 -1.650 7.817 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 23.523 -1.880 8.747 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 24.303 -1.750 7.457 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -4.342 -1.781 -3.924 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -4.892 -1.281 -4.534 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -3.512 -1.301 -3.904 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 5.561 -11.153 -13.622 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 4.721 -10.773 -13.872 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 5.761 -11.763 -14.332 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -12.112 -21.728 15.886 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -12.782 -21.178 15.496 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -11.542 -21.988 15.156 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 12.987 -5.183 -23.082 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 12.597 -6.033 -22.862 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 13.657 -5.053 -22.402 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -13.310 -5.748 -5.003 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -12.770 -5.818 -4.213 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.380 -6.648 -5.323 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 0.765 2.899 -3.576 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 1.175 3.249 -4.366 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 1.245 2.079 -3.406 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 13.034 -20.924 23.120 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 12.674 -21.314 23.920 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 13.714 -21.544 22.840 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 -2.037 21.217 -20.581 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 -2.177 21.387 -21.511 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 -1.407 20.507 -20.561 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 -6.412 4.812 20.190 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 -7.212 4.282 20.250 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 -6.682 5.602 19.730 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -17.030 22.706 -6.168 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -17.060 23.566 -5.748 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -16.120 22.596 -6.428 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 14.400 1.082 -10.440 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 13.720 0.572 -10.000 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 15.040 1.282 -9.750 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 -5.992 7.808 -5.354 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 -6.182 7.398 -4.514 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 -5.402 8.528 -5.144 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -17.075 25.071 -14.442 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -16.795 24.191 -14.712 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -17.165 25.551 -15.262 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 -21.431 12.099 10.801 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 -22.051 11.449 10.471 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 -20.571 11.789 10.501 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 -4.886 -25.087 -9.941 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 -5.606 -25.707 -9.861 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 -5.246 -24.387 -10.501 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 12.737 -24.705 1.352 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 12.447 -24.715 2.262 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 13.037 -25.605 1.192 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 13.719 23.251 -0.339 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 13.539 22.461 -0.849 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 14.329 22.971 0.341 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -21.116 3.443 24.273 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -21.356 2.863 24.993 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -20.426 2.973 23.803 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 -2.369 11.050 -8.301 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 -2.469 11.670 -9.021 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 -3.069 10.420 -8.441 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 -0.482 -12.551 -23.970 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 -0.592 -12.171 -24.840 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 -1.332 -12.431 -23.550 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 3.050 -17.057 13.984 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 2.940 -17.957 14.264 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 2.270 -16.607 14.304 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 16.594 2.336 23.656 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 17.464 2.716 23.506 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 15.984 3.046 23.446 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 -14.663 19.663 10.235 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 -15.613 19.613 10.135 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 -14.363 20.103 9.435 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -21.189 -2.798 8.765 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -20.679 -2.478 9.515 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -20.779 -3.638 8.545 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 9.604 6.431 23.875 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 8.754 6.071 23.615 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 9.814 7.071 23.195 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 24.234 -15.389 6.506 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 24.454 -16.289 6.276 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 24.524 -15.289 7.406 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 -17.429 -3.518 2.002 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 -17.399 -2.578 2.132 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 -18.149 -3.818 2.562 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 -22.102 16.522 15.372 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 -22.292 16.312 14.462 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 -22.852 16.172 15.862 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 -0.049 2.848 22.385 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 -0.839 2.448 22.015 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 0.141 2.328 23.165 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -21.873 7.170 -20.371 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -21.833 6.750 -19.521 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -21.783 6.460 -21.001 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -9.121 4.944 16.126 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -9.501 4.834 15.256 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -9.721 4.484 16.706 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 8.519 10.165 -2.180 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 8.509 10.875 -1.540 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 8.319 10.595 -3.010 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 11.226 17.785 -5.758 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 11.436 16.895 -6.048 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 10.506 18.055 -6.318 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 7.129 -1.990 -13.248 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 6.389 -2.170 -13.828 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 7.039 -1.060 -13.018 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 22.323 1.993 -8.403 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 21.753 1.223 -8.443 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 23.153 1.653 -8.083 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 -24.887 -11.437 -5.263 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 -25.787 -11.357 -5.563 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 -24.357 -11.317 -6.043 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 -0.289 13.847 17.960 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 0.281 13.127 18.230 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 -0.949 13.427 17.400 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 19.287 18.369 7.286 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 19.717 18.969 7.896 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 19.857 18.359 6.516 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 1.640 -4.110 12.496 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 1.900 -3.190 12.406 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 0.990 -4.100 13.196 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 17.445 18.618 -15.583 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 17.205 18.878 -14.693 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 16.725 18.058 -15.873 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 0.363 13.843 1.941 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -0.427 13.743 2.461 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 0.203 14.613 1.391 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 6.857 24.408 -12.074 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 6.327 24.048 -11.364 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 6.477 25.268 -12.244 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 -11.591 -3.042 -17.883 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 -11.011 -2.432 -18.343 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 -11.991 -2.512 -17.183 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -3.541 23.209 24.254 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -3.311 22.939 23.364 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -4.361 22.749 24.444 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 17.974 2.988 19.860 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 18.194 3.618 20.540 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 18.794 2.858 19.380 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.174 18.538 -3.291 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -9.364 19.298 -2.741 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -8.554 18.858 -3.941 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 19.669 -21.022 -19.997 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 20.479 -21.502 -20.177 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 19.779 -20.692 -19.107 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 4.563 10.008 -11.389 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 4.323 10.368 -10.539 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 4.653 10.768 -11.959 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 16.554 4.102 -6.897 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 16.814 3.522 -7.617 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 17.304 4.082 -6.297 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -2.879 -11.710 19.025 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -2.959 -12.580 19.405 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -3.779 -11.470 18.785 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 -22.044 -8.523 -11.136 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 -21.784 -9.403 -10.866 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 -22.874 -8.363 -10.686 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 13.933 2.680 -23.918 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 14.523 3.430 -23.858 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 14.423 2.030 -24.418 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -4.616 -0.338 8.399 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -4.486 -1.008 7.729 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -5.446 -0.568 8.809 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 2.939 -10.590 5.329 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 3.429 -10.830 6.119 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 2.229 -10.040 5.649 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -3.347 17.789 1.671 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -2.437 17.769 1.971 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -3.467 18.669 1.321 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 -6.183 -16.096 -20.029 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 -5.293 -16.056 -19.659 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 -6.563 -15.246 -19.829 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 24.527 -13.579 23.255 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 25.277 -13.139 23.655 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 24.227 -12.979 22.575 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -13.307 25.125 -19.040 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -13.607 24.255 -18.750 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -14.047 25.485 -19.530 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 -9.334 13.270 -9.252 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 -8.514 12.870 -8.962 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 -9.704 12.640 -9.872 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 10.461 -7.795 -21.319 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 10.911 -8.505 -21.779 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 10.881 -7.775 -20.459 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 -12.493 10.945 9.325 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 -13.353 10.545 9.425 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 -12.523 11.395 8.485 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 10.514 -15.239 22.587 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 10.194 -15.899 23.197 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 10.104 -15.459 21.757 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 -12.251 7.304 14.695 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 -12.511 8.214 14.555 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 -12.421 6.884 13.855 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 15.187 16.971 3.865 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 15.237 16.011 3.815 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 14.557 17.141 4.565 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 -6.552 10.251 21.598 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 -6.412 9.551 20.968 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 -6.042 10.991 21.248 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 22.930 -22.852 6.655 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 22.520 -22.942 7.515 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 23.380 -23.682 6.515 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 18.065 23.387 -3.064 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 18.685 22.737 -2.734 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 17.425 23.477 -2.354 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 18.906 13.221 -1.045 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 19.036 14.061 -1.495 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 19.456 13.281 -0.265 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 -6.570 25.158 5.777 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 -7.230 25.858 5.767 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 -6.800 24.608 5.037 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -0.842 -7.920 24.819 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -1.742 -8.090 25.069 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -0.762 -6.970 24.829 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -6.734 -20.138 -6.245 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -7.604 -20.538 -6.305 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -6.134 -20.828 -6.525 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 -7.869 -9.770 2.129 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 -7.729 -10.330 1.359 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 -8.649 -9.270 1.909 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -14.494 6.492 -5.405 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -14.144 7.382 -5.455 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -14.494 6.192 -6.315 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 20.356 -0.138 2.617 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 20.516 -0.618 1.807 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 20.746 -0.688 3.297 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -16.762 -11.295 18.725 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -16.162 -10.995 19.405 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -17.042 -12.165 19.015 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 -25.014 -2.921 9.838 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 -24.244 -3.191 10.328 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 -24.794 -3.091 8.918 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -20.652 9.677 -3.452 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -20.682 9.237 -2.602 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -21.252 9.177 -4.002 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 -9.430 21.498 5.952 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 -9.700 20.588 5.942 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 -8.620 21.518 5.442 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.570 -21.745 -23.306 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.650 -20.795 -23.316 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -20.130 -22.035 -24.026 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 6.575 -24.777 22.076 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 6.755 -25.077 22.966 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 7.375 -24.957 21.586 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -1.037 -16.639 24.661 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -1.677 -15.939 24.781 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -1.337 -17.099 23.871 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 13.165 -4.010 0.543 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 13.255 -4.600 1.283 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 13.795 -3.310 0.713 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -19.764 -0.321 9.306 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -19.834 -0.001 8.406 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -20.084 0.399 9.846 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -13.391 13.220 15.981 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -12.451 13.380 16.081 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -13.501 13.020 15.051 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 8.499 -24.154 -24.232 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 8.369 -24.884 -24.822 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 8.509 -23.374 -24.792 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 0.807 -11.241 -1.064 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 0.457 -10.611 -1.694 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 0.037 -11.761 -0.794 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 0.331 -10.145 -9.309 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -0.249 -9.415 -9.069 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 1.001 -10.145 -8.629 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -14.497 -17.490 -17.268 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -13.927 -16.840 -17.688 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -14.697 -18.110 -17.968 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 8.048 -24.337 0.023 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 8.288 -24.407 -0.907 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 7.668 -23.457 0.103 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 12.854 -0.649 -8.385 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 12.514 0.221 -8.155 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 12.104 -1.099 -8.795 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.025 19.644 8.801 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -16.785 19.544 7.881 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.635 18.934 8.971 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -8.535 -16.938 -11.913 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -9.375 -17.398 -11.813 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -8.635 -16.128 -11.423 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -9.514 -2.634 -21.521 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -8.974 -2.424 -22.281 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -9.104 -2.164 -20.801 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 13.421 1.666 8.429 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 14.151 2.256 8.589 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 13.451 1.476 7.499 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 8.085 23.526 -14.594 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 7.285 23.376 -15.084 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 7.795 23.846 -13.744 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 20.046 23.368 14.679 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 20.766 23.988 14.589 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 19.586 23.398 13.839 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 4.515 -16.911 -7.183 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 5.425 -17.041 -7.463 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 4.195 -16.191 -7.733 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -9.084 -4.771 -18.451 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -8.454 -4.401 -17.831 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -9.934 -4.541 -18.081 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 15.007 18.876 -20.200 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 15.697 19.486 -19.950 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 15.077 18.826 -21.160 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 11.183 -5.507 14.415 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 10.553 -5.367 15.115 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 11.283 -4.637 14.015 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 9.138 14.832 -16.920 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 8.398 15.222 -17.400 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 9.268 15.402 -16.170 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.908 -22.957 19.426 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 2.758 -23.137 19.836 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 2.048 -23.147 18.496 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -15.312 -20.095 -14.615 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -15.872 -20.635 -15.165 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -14.512 -19.975 -15.115 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -1.021 -4.588 5.427 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -1.881 -4.828 5.077 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -0.751 -3.818 4.917 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 6.306 -17.095 -12.581 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 6.766 -17.385 -11.791 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 6.956 -16.565 -13.051 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 -7.504 7.930 -25.269 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 -8.434 7.740 -25.159 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 -7.054 7.160 -24.919 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 1.050 20.480 -13.502 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 1.610 20.500 -14.282 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 0.160 20.570 -13.842 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 22.304 24.473 -18.398 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 21.684 23.763 -18.558 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 22.954 24.383 -19.088 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 2.834 23.520 12.986 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 2.064 22.970 13.116 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 2.684 23.940 12.146 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 4.925 0.698 -4.985 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 5.875 0.698 -4.855 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 4.815 0.438 -5.905 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -12.930 12.733 13.455 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -11.980 12.613 13.515 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -13.130 12.563 12.535 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 21.903 12.881 -22.449 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 21.693 12.481 -21.599 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 22.853 12.871 -22.489 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 19.126 -7.637 -3.415 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 19.176 -8.547 -3.685 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 19.526 -7.147 -4.135 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 -13.474 -8.202 18.354 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 -13.564 -9.012 18.864 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 -13.414 -8.492 17.444 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 -1.697 0.787 -17.015 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 -2.547 0.447 -17.295 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 -1.497 1.477 -17.655 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 15.133 -21.685 -7.378 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 15.603 -22.125 -8.088 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 15.733 -21.005 -7.078 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 -17.207 -18.847 -10.384 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 -17.247 -17.897 -10.464 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 -18.007 -19.157 -10.814 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 23.026 23.151 17.202 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 23.376 23.981 17.512 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 22.806 23.301 16.282 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.262 9.850 -21.193 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -21.602 10.220 -21.773 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -21.982 8.940 -21.063 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 19.820 7.939 -23.308 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 19.120 7.299 -23.228 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 19.740 8.479 -22.518 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 -23.789 -8.716 -2.878 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 -23.899 -7.966 -3.458 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 -23.529 -9.436 -3.458 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -24.042 1.249 19.152 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -23.492 0.479 19.052 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -24.182 1.329 20.102 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 -21.304 23.915 22.862 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 -21.914 23.425 22.302 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 -21.254 23.405 23.662 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 -15.170 1.843 -2.654 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 -14.660 2.583 -2.974 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 -16.050 1.983 -3.004 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 -3.539 3.498 3.845 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 -4.359 3.568 4.345 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 -2.909 3.988 4.365 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 6.071 -11.510 -20.471 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 5.281 -11.910 -20.821 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 6.251 -10.780 -21.061 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 16.920 4.525 10.471 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 17.180 3.705 10.051 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 16.800 4.285 11.391 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 0.214 10.645 1.092 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 0.134 11.585 1.272 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 0.614 10.605 0.222 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 1.517 11.131 -4.274 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 2.067 11.901 -4.114 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 1.297 11.191 -5.204 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 -22.983 23.601 19.942 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 -22.133 23.991 19.722 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 -22.813 22.651 19.952 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -2.414 23.019 -4.660 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -2.404 23.099 -5.620 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -1.744 23.629 -4.360 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -7.455 -1.938 4.555 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -7.205 -1.138 4.085 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -7.905 -2.468 3.905 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 1.430 -2.131 2.781 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 1.510 -3.081 2.891 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 0.880 -2.031 2.001 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 -14.911 -4.518 1.051 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 -15.021 -5.068 1.831 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 -15.541 -3.808 1.171 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 15.671 -0.032 -24.375 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.001 -0.622 -25.045 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 15.001 -0.532 -23.915 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 14.574 -0.741 -15.493 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 15.244 -0.341 -16.043 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 13.744 -0.401 -15.823 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 20.696 21.608 -6.568 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 20.986 20.858 -6.058 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 21.496 21.948 -6.978 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 -1.023 -1.271 -7.111 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 -0.293 -1.201 -6.501 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 -0.803 -2.011 -7.671 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -25.289 -12.048 -24.303 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -24.469 -12.188 -24.793 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -25.309 -12.758 -23.663 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 0.907 19.445 -0.168 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 1.817 19.565 -0.448 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 0.387 19.945 -0.798 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 -6.300 8.150 -0.359 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 -6.140 8.900 -0.939 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 -7.140 7.800 -0.629 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 -18.993 15.505 16.106 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 -18.143 15.345 16.506 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 -18.813 16.065 15.356 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 -18.449 -7.501 -22.055 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 -18.319 -6.771 -21.455 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 -18.399 -7.101 -22.925 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -13.912 19.788 16.919 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -14.362 19.198 16.309 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -13.432 19.198 17.509 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 -5.582 5.780 5.306 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 -5.582 5.410 6.186 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 -6.202 6.510 5.346 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 2.469 -9.587 13.595 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 2.489 -8.647 13.785 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 2.169 -9.647 12.685 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 -3.984 21.370 22.339 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 -4.204 20.500 22.009 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 -3.034 21.370 22.379 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 5.715 -1.340 6.549 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 5.955 -1.500 7.469 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 5.435 -2.190 6.219 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -14.313 25.259 20.101 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -14.483 24.349 19.861 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -15.023 25.759 19.671 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 0.069 17.192 -2.020 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 0.849 16.942 -2.520 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 0.399 17.812 -1.360 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -15.971 -0.240 24.747 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -15.161 -0.720 24.897 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -16.441 -0.750 24.087 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 -21.203 22.301 6.270 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 -21.383 23.051 5.700 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 -21.643 21.571 5.840 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 10.688 2.888 9.051 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 10.768 3.828 9.201 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 11.588 2.568 9.061 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -21.469 -18.608 -11.337 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -22.379 -18.388 -11.187 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -21.459 -19.558 -11.427 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 -17.383 -9.533 -5.061 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 -17.123 -8.813 -5.641 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 -17.783 -10.173 -5.651 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 18.011 6.268 -22.005 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 18.681 5.668 -22.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 17.181 5.888 -22.305 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -1.584 -23.871 19.750 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -2.224 -23.621 19.080 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -1.604 -24.821 19.760 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 -10.575 17.541 14.229 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 -10.155 17.321 15.059 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 -10.815 18.471 14.319 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 -12.600 6.524 -0.916 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 -11.870 5.914 -0.866 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 -12.450 7.134 -0.186 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -8.511 -6.793 -20.393 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -8.121 -5.993 -20.053 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -8.991 -7.163 -19.653 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 10.131 7.155 1.913 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 9.521 6.425 2.063 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 9.571 7.915 1.753 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 5.845 16.144 23.525 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 6.265 15.624 24.215 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 5.095 15.624 23.265 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 -22.870 -4.272 24.321 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 -22.930 -3.322 24.431 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 -22.430 -4.572 25.111 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 4.418 8.530 -15.738 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 5.158 8.670 -15.138 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 4.178 9.410 -16.028 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 25.335 -0.811 11.565 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 24.655 -0.851 12.245 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 24.935 -1.231 10.805 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 7.498 -12.090 9.562 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 8.218 -12.000 8.942 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.298 -13.030 9.552 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 4.655 -15.413 6.009 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 4.665 -16.303 5.659 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 4.455 -14.863 5.249 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 7.359 0.011 21.943 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 7.809 0.041 21.093 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 7.419 -0.899 22.213 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 -19.629 -22.985 -14.104 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 -20.299 -23.445 -13.594 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 -20.099 -22.635 -14.854 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 -12.430 18.690 -21.052 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 -11.470 18.660 -20.992 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 -12.640 19.610 -21.162 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 -5.507 -17.873 14.641 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 -5.257 -17.603 15.521 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 -6.377 -17.503 14.501 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 7.966 5.528 1.852 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 7.646 4.758 2.312 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 7.216 6.128 1.852 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -2.846 -0.621 -10.458 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -2.626 -1.501 -10.138 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -3.646 -0.741 -10.978 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.534 -4.576 8.522 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 15.044 -4.646 9.322 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 14.814 -3.736 8.132 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 15.055 6.371 -6.041 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 15.295 5.511 -6.381 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 15.065 6.941 -6.811 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 4.561 -16.927 -20.903 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 3.711 -16.627 -21.203 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 4.761 -17.687 -21.453 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 6.387 -8.744 7.802 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 7.087 -8.584 7.162 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 5.847 -7.954 7.772 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -22.402 -4.719 -20.801 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -22.792 -4.839 -19.931 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -21.562 -5.179 -20.741 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 18.078 -24.286 -15.398 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 17.918 -24.646 -14.528 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 18.108 -25.046 -15.978 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 16.245 10.115 20.442 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 17.165 10.035 20.202 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 15.785 10.225 19.602 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 -12.002 23.465 -8.988 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 -11.452 23.375 -8.208 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 -11.442 23.935 -9.618 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 3.899 -22.465 -4.200 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 3.199 -22.585 -3.560 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 3.859 -21.535 -4.430 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 6.520 -16.218 -4.140 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 7.310 -15.918 -3.700 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 6.550 -15.798 -5.000 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -15.906 -24.888 2.281 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -15.386 -25.208 3.021 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -15.516 -24.038 2.061 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -8.977 -7.970 -12.395 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -8.657 -8.290 -11.545 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -9.817 -7.560 -12.185 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 12.741 2.015 -15.227 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 12.251 2.785 -15.527 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 13.301 1.785 -15.957 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 16.030 15.027 -11.891 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 15.130 15.317 -12.061 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 15.930 14.197 -11.421 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 12.378 -15.900 -16.854 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 12.688 -16.530 -16.204 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 11.638 -15.460 -16.424 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 18.689 2.960 -8.685 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 19.039 3.710 -9.155 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 19.349 2.280 -8.785 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 0.515 21.950 7.010 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 0.365 22.570 7.720 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 0.465 22.480 6.210 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -14.712 -13.349 -22.782 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -14.142 -12.879 -22.182 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -15.142 -14.019 -22.242 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 7.944 17.765 3.052 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 7.114 17.295 2.962 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 7.814 18.325 3.812 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 22.383 -22.827 11.772 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 22.033 -22.537 12.612 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 22.413 -23.777 11.842 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 13.313 -6.157 23.337 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 13.543 -6.847 23.967 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 13.673 -5.357 23.717 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 24.181 10.728 11.092 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 25.061 10.978 10.802 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 23.691 10.618 10.272 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 -21.157 -13.617 -2.178 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 -20.527 -12.937 -1.938 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 -21.037 -13.727 -3.118 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -14.573 -22.122 -16.973 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -13.883 -22.672 -16.593 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -14.953 -22.652 -17.673 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 15.188 -12.635 13.135 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 15.948 -12.065 13.095 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 14.438 -12.045 13.165 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 -5.989 23.005 -8.406 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 -6.409 22.275 -8.856 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 -5.049 22.885 -8.586 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -21.487 24.798 -22.837 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -21.637 25.008 -21.917 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -22.277 24.338 -23.117 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 15.533 1.265 15.715 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 16.123 0.835 15.095 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 15.933 2.115 15.875 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 13.811 23.138 7.099 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 13.561 23.958 7.519 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 13.521 22.458 7.699 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -8.452 -5.611 24.052 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -8.932 -6.341 23.642 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -8.862 -5.511 24.912 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -7.416 19.723 24.169 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -6.786 19.113 24.569 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -7.816 19.223 23.459 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 10.640 17.770 -17.650 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 10.920 17.690 -18.560 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 10.920 18.650 -17.380 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 1.936 16.539 -11.378 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 2.196 17.459 -11.328 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 2.236 16.259 -12.248 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -24.592 -3.155 -13.255 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -24.012 -3.615 -13.865 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -25.462 -3.515 -13.425 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 -23.746 17.943 -16.105 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 -24.016 18.743 -16.555 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 -22.826 18.093 -15.885 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 13.945 19.918 -7.380 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 14.495 19.128 -7.350 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 13.685 20.068 -6.470 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 14.148 6.588 -24.321 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 13.608 6.458 -23.541 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 13.678 6.128 -25.021 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 -17.561 25.043 -4.942 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 -18.431 25.433 -4.902 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 -17.481 24.543 -4.122 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 -19.060 2.025 -6.017 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 -19.540 1.355 -6.497 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 -19.290 2.845 -6.457 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -10.579 -22.528 0.887 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -11.289 -21.908 1.037 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -9.919 -22.298 1.537 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 14.165 -20.645 -22.030 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 13.575 -19.895 -22.110 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 13.665 -21.385 -22.370 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 5.659 15.691 -22.995 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 5.289 16.521 -22.685 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 6.599 15.801 -22.895 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 -12.960 -5.091 9.716 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 -12.900 -5.951 9.296 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 -12.190 -4.621 9.396 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 4.753 -2.438 12.135 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 3.973 -1.968 11.845 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 5.413 -1.748 12.255 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 12.229 23.372 12.609 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 12.489 22.662 12.019 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 12.909 23.402 13.279 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -4.537 14.500 24.233 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -3.887 15.200 24.303 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -5.127 14.640 24.963 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 5.549 0.259 9.303 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 4.869 0.859 9.623 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 5.479 0.309 8.353 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 7.383 13.268 17.761 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 7.723 14.158 17.771 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 8.133 12.718 17.541 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 24.560 -21.783 -17.673 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 24.850 -21.063 -18.233 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 24.920 -22.563 -18.093 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -17.553 -6.393 -8.510 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -18.153 -5.683 -8.720 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -17.943 -6.823 -7.750 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -18.761 10.180 -22.255 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -19.091 11.000 -21.875 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -17.941 10.430 -22.685 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 -18.075 0.421 -8.899 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 -17.485 0.291 -8.149 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 -18.605 -0.379 -8.919 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 14.950 5.585 -13.054 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 14.300 5.005 -12.664 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 15.460 5.015 -13.634 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -8.801 -13.430 6.729 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -8.861 -13.080 7.619 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -8.741 -12.660 6.169 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -2.511 -17.110 16.243 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -1.701 -17.420 15.823 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -2.871 -17.900 16.663 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 -24.665 -22.911 7.695 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 -24.745 -22.791 6.745 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 -24.615 -23.861 7.815 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 23.354 18.645 -19.315 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 22.884 18.785 -18.485 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 23.964 17.935 -19.115 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 -8.804 19.581 12.522 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 -9.504 18.991 12.232 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 -9.234 20.421 12.662 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 -2.014 2.060 15.295 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 -2.144 1.150 15.055 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 -1.224 2.060 15.835 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 22.638 21.143 19.142 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 23.588 21.113 18.992 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 22.418 22.073 19.062 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 -15.379 -1.177 -15.839 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 -15.809 -1.967 -16.169 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 -14.519 -1.187 -16.259 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -5.936 -3.377 24.429 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -5.096 -3.827 24.269 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -6.586 -3.937 23.989 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 -18.954 -1.448 -21.066 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 -18.734 -2.208 -20.516 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 -18.184 -1.308 -21.616 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 -11.377 -7.350 9.995 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 -11.187 -6.860 10.795 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 -10.777 -8.100 10.025 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -23.877 6.023 0.754 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -23.047 5.653 0.444 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -23.657 6.913 1.024 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -19.189 -14.744 1.162 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -19.769 -15.444 0.852 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -19.469 -14.574 2.062 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -2.117 19.398 -3.524 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -2.587 19.008 -2.784 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -1.437 19.948 -3.114 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 19.186 -15.201 7.549 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 19.906 -14.591 7.409 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 19.596 -16.061 7.529 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 0.385 24.852 -22.214 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 0.465 23.952 -21.874 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 1.045 25.342 -21.734 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 2.334 -15.286 2.011 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 1.974 -16.116 1.681 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 1.934 -15.186 2.871 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -2.974 -2.153 5.809 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -2.224 -2.753 5.799 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -3.274 -2.133 4.909 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -24.955 -19.568 22.218 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -25.565 -20.218 22.568 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -24.195 -19.608 22.798 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 18.704 25.145 22.661 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 18.794 24.225 22.391 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 17.964 25.135 23.281 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 23.608 19.633 -12.245 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 24.558 19.593 -12.185 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 23.418 20.573 -12.315 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 9.665 18.030 22.304 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 8.705 18.080 22.234 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 9.935 17.580 21.504 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 8.908 -7.517 -23.638 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 9.398 -7.497 -24.458 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 9.538 -7.217 -22.978 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 23.056 19.972 15.362 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 23.956 20.022 15.062 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 23.076 19.342 16.082 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 12.345 20.340 -4.567 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 12.375 19.610 -5.187 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 13.035 20.150 -3.927 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 -18.195 14.804 11.769 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 -17.955 14.104 12.379 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 -19.155 14.834 11.809 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 10.108 20.075 -23.594 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 10.608 20.865 -23.804 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 9.328 20.125 -24.134 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -24.093 -20.782 -19.290 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -23.613 -20.502 -18.520 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -23.983 -21.732 -19.320 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 19.498 -11.527 22.387 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 19.658 -12.397 22.757 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 19.198 -10.997 23.117 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 8.063 -23.946 18.451 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 8.083 -23.106 18.911 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 8.893 -24.366 18.681 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 -6.660 -13.592 15.689 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 -6.020 -13.292 15.049 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 -7.400 -13.002 15.599 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 -16.009 21.151 -10.235 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 -16.889 20.821 -10.035 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 -15.649 21.391 -9.375 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 -10.291 13.197 12.961 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 -9.531 13.467 13.461 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 -10.661 14.017 12.621 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 -12.141 20.220 14.331 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 -12.121 20.220 15.291 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 -13.071 20.270 14.111 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 -17.665 20.355 -3.126 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 -17.625 20.235 -4.076 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 -16.825 20.765 -2.906 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -6.543 -4.560 -20.546 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -5.603 -4.350 -20.496 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -6.933 -4.040 -19.846 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 24.895 1.508 -22.063 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 25.405 2.298 -21.883 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 24.095 1.628 -21.563 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -12.094 -20.138 1.559 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -13.024 -20.058 1.389 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -11.974 -19.768 2.439 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 2.723 24.148 -7.595 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 2.743 25.068 -7.325 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 1.803 23.968 -7.765 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -2.706 4.373 -17.078 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -2.846 3.423 -17.088 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -1.976 4.513 -17.678 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 21.398 11.857 -19.763 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 21.018 12.267 -18.983 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 21.048 10.967 -19.773 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -23.921 15.449 -10.027 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -24.671 15.549 -9.437 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -23.191 15.849 -9.547 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 -15.961 14.435 -18.878 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 -15.021 14.285 -18.948 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 -16.311 13.605 -18.548 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 -0.957 -5.425 -12.790 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 -0.687 -4.605 -13.200 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 -0.287 -6.065 -13.050 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -6.169 -14.933 -24.353 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -6.649 -14.193 -24.723 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -5.529 -15.163 -25.023 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -23.725 -11.110 3.135 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -23.525 -11.610 2.345 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -24.095 -11.740 3.745 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -0.496 15.564 -11.919 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -1.346 15.544 -11.479 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 0.054 16.114 -11.359 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 4.589 7.107 -20.613 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 3.989 7.787 -20.303 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 5.329 7.597 -20.973 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 6.446 -1.928 -19.948 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 7.166 -1.318 -20.088 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 6.616 -2.318 -19.078 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 8.754 -8.544 17.112 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 8.044 -8.394 16.482 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 8.924 -9.484 17.072 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 -15.716 5.135 19.031 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 -15.416 5.535 18.221 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 -15.846 5.875 19.631 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 5.330 -24.875 13.139 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 5.790 -25.095 13.949 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 5.130 -25.725 12.749 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 4.566 5.377 -7.720 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 4.346 4.497 -7.400 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.826 5.617 -8.270 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -7.721 -4.209 20.689 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -8.671 -4.149 20.599 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -7.571 -4.179 21.639 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 19.799 -18.077 5.892 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 19.599 -18.967 6.182 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 19.039 -17.827 5.372 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 23.875 4.000 -12.908 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 23.785 4.880 -12.558 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 23.995 3.440 -12.138 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 17.485 -3.256 3.788 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 16.885 -2.536 3.598 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 17.035 -3.766 4.458 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 15.634 5.609 17.103 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 14.794 5.349 16.733 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 16.174 5.839 16.343 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 25.035 9.228 -21.937 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 24.155 8.928 -22.147 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 24.905 9.888 -21.257 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 -14.989 -14.042 -6.641 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 -14.469 -13.312 -6.971 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 -15.869 -13.682 -6.551 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 -3.506 -15.757 -15.065 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 -2.716 -16.297 -15.115 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 -4.166 -16.337 -14.675 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 17.067 -7.384 10.861 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 17.287 -8.264 10.561 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 17.717 -7.194 11.541 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -5.120 -7.081 -4.963 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -4.610 -6.481 -5.493 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -4.740 -7.941 -5.143 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -22.910 19.231 16.385 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -22.250 19.231 15.695 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -22.440 18.911 17.155 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 8.458 -11.062 -5.219 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 7.758 -10.552 -5.629 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 8.358 -10.912 -4.279 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 21.851 -22.341 -19.371 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 22.781 -22.371 -19.161 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 21.441 -22.921 -18.721 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 -17.980 3.190 18.399 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 -18.760 3.740 18.479 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 -17.250 3.770 18.649 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 12.274 5.680 23.826 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 12.214 5.090 23.076 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 11.374 5.960 23.986 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -10.004 -21.798 -22.834 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -10.934 -21.798 -23.024 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -9.954 -21.758 -21.874 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -14.375 15.509 -8.162 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -13.485 15.409 -7.832 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -14.865 14.789 -7.752 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 0.051 4.463 -14.384 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 0.601 3.693 -14.224 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -0.039 4.503 -15.334 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 1.019 0.663 19.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 0.919 1.553 19.771 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 0.309 0.573 18.791 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 17.561 14.442 -18.741 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 16.751 14.942 -18.841 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 18.131 15.012 -18.231 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 9.591 -1.851 -1.488 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 9.531 -2.631 -0.938 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 10.461 -1.481 -1.308 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 19.703 -0.765 -3.943 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 19.313 -1.175 -3.173 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 20.133 0.015 -3.613 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -23.879 7.922 23.809 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -23.479 7.052 23.849 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -23.989 8.182 24.719 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -10.745 17.885 -5.572 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -11.465 17.475 -5.082 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -9.955 17.625 -5.092 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -8.054 4.400 -14.243 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -8.684 4.680 -13.583 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -7.384 5.080 -14.243 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 -11.627 -13.231 8.112 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 -12.317 -13.661 8.612 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 -10.847 -13.761 8.252 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -8.677 -18.850 -0.819 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -7.997 -19.270 -0.289 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -9.497 -19.270 -0.539 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -3.734 -12.971 -4.178 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -3.524 -12.331 -3.498 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -2.884 -13.271 -4.488 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 -18.175 19.668 1.592 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 -17.285 19.348 1.732 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 -18.235 19.818 0.652 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 13.734 2.174 13.993 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 14.514 1.924 14.493 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 13.174 2.604 14.633 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -5.266 19.307 4.472 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -4.766 19.417 3.662 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -5.376 18.367 4.552 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -15.949 1.498 -23.478 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -16.579 1.308 -22.778 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -16.269 0.998 -24.228 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 14.618 -8.067 20.419 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 15.408 -7.787 20.879 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 14.028 -7.317 20.489 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -16.417 -1.249 -21.910 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -16.297 -1.679 -22.760 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -15.747 -1.629 -21.350 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 2.957 -15.915 19.223 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 3.877 -15.875 19.493 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 2.637 -16.745 19.573 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 -10.462 16.824 -11.641 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 -10.282 17.374 -12.401 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 -9.732 16.214 -11.611 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 23.231 16.440 2.015 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 23.871 15.900 2.485 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 23.531 16.450 1.105 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 18.471 1.277 -5.286 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 17.591 1.157 -5.656 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 18.731 0.397 -5.006 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 9.647 -7.590 -17.361 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 10.017 -6.970 -16.721 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 9.707 -8.440 -16.931 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 17.226 3.342 17.036 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 16.966 4.262 16.976 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 17.666 3.272 17.886 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -6.063 -5.014 5.623 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -5.123 -5.184 5.693 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -6.353 -5.544 4.883 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 -22.496 -20.247 -16.844 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 -21.956 -20.737 -17.464 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 -22.576 -20.827 -16.084 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 11.087 -20.020 3.784 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 11.157 -19.560 2.944 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 11.517 -20.860 3.634 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -14.153 10.584 -16.638 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -14.463 10.794 -15.758 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -14.943 10.334 -17.118 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 2.050 -1.600 11.916 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 1.770 -1.820 11.026 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 2.060 -0.650 11.936 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 10.824 -22.150 16.723 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 10.324 -21.950 17.513 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 11.524 -22.730 17.023 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 17.616 24.581 15.991 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 18.426 24.071 15.891 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 16.926 23.921 16.091 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 -8.854 -12.520 9.546 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 -8.674 -13.180 10.226 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 -9.424 -11.890 9.986 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 0.565 -20.057 -22.979 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 0.085 -19.917 -22.159 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 1.485 -20.067 -22.719 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 11.971 -6.075 10.810 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 12.921 -5.955 10.770 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 11.861 -7.005 10.990 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 -18.419 15.932 -7.989 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 -18.249 15.262 -8.649 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 -17.869 16.672 -8.229 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 17.057 -20.005 -2.991 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 16.267 -19.475 -3.091 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 16.727 -20.885 -2.781 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 -19.606 14.669 -5.937 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 -18.986 14.999 -6.587 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 -19.686 13.739 -6.137 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 -19.897 -19.625 15.722 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 -19.237 -20.175 16.152 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 -20.317 -19.155 16.442 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 9.984 -20.363 -19.980 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 9.734 -19.663 -20.590 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 9.254 -20.973 -20.000 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -3.755 19.738 14.243 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -4.015 19.348 15.073 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -4.565 19.808 13.743 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 16.036 13.595 -3.155 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 15.356 13.635 -3.825 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 16.306 14.505 -3.035 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -17.696 -12.971 -0.859 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -17.636 -12.271 -0.209 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -18.436 -13.501 -0.569 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 13.250 3.869 -17.598 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 13.430 4.809 -17.648 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 12.530 3.729 -18.208 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 7.295 -4.635 -2.002 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 7.115 -3.705 -2.082 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 6.445 -5.025 -1.792 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 9.545 -10.596 -18.611 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 9.945 -11.086 -19.321 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 8.725 -11.056 -18.431 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -13.424 -5.364 -7.701 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -14.014 -5.954 -8.171 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -13.664 -5.454 -6.781 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 1.467 -13.168 -2.947 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 1.407 -13.688 -2.137 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 1.647 -12.278 -2.647 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 -19.207 21.694 3.096 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 -18.877 20.964 2.576 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 -18.497 22.334 3.086 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 11.494 -12.926 17.442 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 12.064 -13.576 17.042 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 12.034 -12.146 17.522 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 11.051 24.105 -15.900 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 10.121 24.065 -16.130 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 11.081 24.625 -15.100 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -2.905 -13.477 -17.898 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.245 -14.207 -17.388 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -2.225 -13.087 -17.348 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -18.993 -19.675 20.781 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -18.843 -20.505 21.211 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -18.913 -19.025 21.481 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 -14.549 -4.739 14.620 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 -15.359 -4.719 14.120 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 -13.869 -4.479 14.000 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 12.995 9.313 -0.831 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 12.125 9.593 -1.111 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 12.915 8.363 -0.721 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 2.298 -8.720 -11.591 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 3.168 -8.470 -11.291 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 1.808 -8.920 -10.791 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 0.117 -8.759 -2.205 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 -0.613 -8.409 -2.715 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 0.737 -9.069 -2.855 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 2.364 -8.800 10.821 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 2.444 -9.710 10.551 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 1.624 -8.470 10.311 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 14.623 -10.515 9.539 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 15.473 -10.465 9.089 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 14.083 -11.065 8.979 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -12.685 16.449 24.512 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -12.405 16.919 23.722 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -13.355 15.829 24.192 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 11.935 -22.123 2.708 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 11.625 -22.663 1.978 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 12.005 -22.733 3.438 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 6.978 -21.606 -23.818 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 6.688 -20.976 -24.478 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 7.358 -21.066 -23.128 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 18.846 3.997 12.450 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 19.796 4.047 12.490 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 18.556 4.887 12.260 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -8.074 17.118 -13.534 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -8.594 17.178 -14.344 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -7.304 16.608 -13.784 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 2.075 10.708 14.956 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 2.955 10.728 15.326 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 2.175 10.298 14.096 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 24.193 -15.965 -23.572 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 23.913 -15.815 -24.472 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 23.423 -16.325 -23.142 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -2.313 4.640 18.650 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -2.693 4.990 17.850 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -2.343 3.690 18.550 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 4.758 12.688 18.950 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 4.428 13.578 19.110 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 5.648 12.828 18.620 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -10.607 24.051 -1.556 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -10.457 23.521 -0.776 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -10.927 24.891 -1.216 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 6.145 -17.796 22.926 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 5.245 -17.826 22.616 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 6.085 -17.426 23.806 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 6.821 -24.514 16.159 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 7.131 -24.244 17.019 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 7.171 -23.854 15.559 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 18.375 22.613 22.225 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 17.985 22.413 23.075 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 19.185 22.093 22.205 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 20.478 17.414 -13.268 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 21.368 17.304 -13.608 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 19.968 17.694 -14.028 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 -23.963 0.592 -10.268 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 -24.263 0.042 -9.548 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 -24.603 0.432 -10.968 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -5.915 4.275 2.482 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -4.975 4.405 2.612 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -6.315 5.085 2.802 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 -24.473 -20.209 0.891 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 -23.763 -20.029 0.271 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 -24.213 -21.019 1.321 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 -0.753 15.575 0.316 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 -1.553 15.065 0.396 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 -0.543 15.555 -0.624 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 23.193 -15.437 -1.924 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 23.373 -15.977 -1.164 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 23.703 -15.837 -2.634 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 5.954 -17.546 14.512 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 5.064 -17.206 14.492 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 6.504 -16.796 14.742 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 -5.206 22.569 18.311 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 -4.536 21.959 18.621 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 -5.846 22.609 19.021 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -20.389 17.844 -20.738 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -19.759 18.334 -21.268 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -20.039 17.914 -19.838 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 -7.870 -17.263 -21.782 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 -7.370 -16.493 -22.042 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -7.270 -17.753 -21.222 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 11.318 12.215 2.502 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 10.848 11.865 1.742 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 11.328 13.155 2.352 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -19.245 5.735 12.051 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -19.715 6.455 11.621 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -18.575 6.165 12.581 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -15.664 -23.271 -9.147 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -14.804 -23.651 -8.957 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -16.204 -23.551 -8.417 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 4.273 -3.518 -12.229 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 4.223 -4.368 -11.819 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 5.083 -3.128 -11.899 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 7.705 -20.871 20.777 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 7.025 -20.381 21.237 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 8.215 -20.201 20.317 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 5.146 24.608 17.511 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 4.806 24.018 16.831 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 5.936 24.988 17.121 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 -9.076 -8.098 -17.073 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 -9.536 -8.678 -16.463 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 -8.826 -7.338 -16.533 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 -9.957 17.250 -15.502 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 -10.397 18.050 -15.762 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 -9.877 16.740 -16.322 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -15.404 -12.337 4.776 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -15.064 -13.087 4.276 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -16.314 -12.267 4.506 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 15.891 -15.792 -7.405 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 15.381 -15.692 -8.205 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 15.381 -15.322 -6.745 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -11.723 -17.494 3.051 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -12.163 -17.704 2.221 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -12.403 -17.604 3.711 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 2.036 -5.092 22.149 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 2.386 -4.282 22.529 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 2.746 -5.732 22.259 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 -6.360 -13.728 -13.399 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 -5.770 -13.558 -12.659 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 -6.340 -14.678 -13.509 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 -0.417 19.131 7.865 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 0.003 18.431 7.355 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 0.143 19.891 7.725 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 -20.654 22.220 -22.944 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 -20.644 22.320 -23.894 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 -21.044 23.040 -22.624 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 23.640 5.702 -15.949 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 22.700 5.752 -15.769 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 23.760 6.212 -16.749 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 14.346 -13.449 17.859 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 13.806 -13.309 18.629 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 15.046 -12.799 17.929 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 7.097 19.104 -17.948 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 6.917 18.604 -18.738 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 6.447 19.804 -17.948 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -0.666 -14.858 -9.069 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -1.546 -14.628 -9.379 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -0.726 -15.788 -8.859 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 14.091 -21.175 0.732 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 14.991 -21.005 0.992 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 13.641 -21.405 1.542 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -11.174 -19.335 -7.721 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -10.804 -20.015 -7.161 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -11.814 -19.795 -8.271 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -24.265 17.779 1.660 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -23.395 17.379 1.710 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -24.865 17.049 1.760 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -12.113 -13.138 16.871 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -12.543 -12.278 16.871 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -12.833 -13.768 16.781 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 13.321 -10.399 18.256 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 13.091 -11.059 18.906 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 12.731 -9.659 18.436 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 1.813 9.146 -11.901 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.453 8.726 -11.311 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 2.293 9.876 -12.281 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 -24.687 -18.226 -23.075 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 -25.267 -17.566 -23.455 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 -24.167 -17.736 -22.435 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 -7.873 7.510 5.412 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 -8.793 7.490 5.682 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 -7.693 8.430 5.212 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 15.963 -24.560 20.479 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 15.633 -24.040 19.739 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 16.893 -24.680 20.289 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -17.653 -11.235 -13.414 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -18.463 -10.855 -13.054 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -17.133 -11.465 -12.644 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -20.429 24.671 -11.150 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -19.649 24.281 -11.540 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -20.109 25.101 -10.350 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 6.658 -9.821 20.222 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 6.868 -10.761 20.152 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 7.318 -9.471 20.812 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -13.617 -19.352 -22.527 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -14.417 -19.602 -22.067 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -12.907 -19.642 -21.957 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 1.955 1.543 11.921 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 2.065 1.993 12.761 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 1.125 1.873 11.581 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -12.102 -24.871 0.221 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -12.552 -24.151 -0.219 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -11.472 -24.431 0.811 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -1.859 23.620 -7.071 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -1.149 24.210 -7.331 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -2.159 23.230 -7.891 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 7.537 0.343 -17.780 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 7.627 0.953 -18.520 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 8.317 0.493 -17.250 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -14.848 15.993 -23.658 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -14.257 16.013 -22.908 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -15.598 15.483 -23.348 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 -2.507 10.510 -13.064 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 -1.977 9.960 -12.494 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 -1.927 11.240 -13.294 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 -10.692 -20.145 3.779 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 -10.612 -19.355 4.309 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 -9.952 -20.095 3.169 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 1.891 -6.830 14.117 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 0.981 -6.740 13.827 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 1.911 -6.410 14.977 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -12.872 -23.711 -11.710 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -12.672 -23.111 -11.000 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -12.092 -24.271 -11.790 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.647 5.682 -0.285 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 20.727 5.522 -0.485 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.747 6.632 -0.355 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 18.189 -20.935 3.123 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 17.269 -20.915 3.393 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 18.169 -20.815 2.183 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -10.172 20.495 21.175 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -9.812 19.755 21.665 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -9.822 20.385 20.295 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 8.839 5.547 -1.157 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 8.469 4.877 -1.737 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 8.689 6.377 -1.617 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 3.904 -18.335 -18.051 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 3.974 -17.455 -18.411 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 3.034 -18.635 -18.301 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 18.748 -14.514 13.487 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 18.488 -15.284 13.987 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 18.018 -14.364 12.887 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 -18.445 -11.441 -23.805 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 -17.585 -11.531 -24.205 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 -18.495 -10.511 -23.555 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 10.194 -11.662 -15.476 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 9.704 -11.132 -16.106 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 9.524 -11.972 -14.866 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 -12.199 7.924 10.735 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 -12.999 8.394 10.965 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 -12.359 7.024 10.995 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -17.517 -0.643 -18.538 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -17.947 -0.623 -19.398 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -18.177 -1.023 -17.948 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.587 19.996 11.541 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.437 20.396 10.681 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.337 20.466 11.891 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 2.166 -1.502 23.994 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 2.736 -2.042 23.454 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 1.926 -0.762 23.434 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 -8.714 24.118 3.297 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 -8.514 23.208 3.537 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 -9.544 24.298 3.727 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 13.815 17.731 -9.266 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 13.875 18.511 -9.826 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 12.885 17.651 -9.066 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -0.907 -11.737 8.309 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -1.317 -10.907 8.049 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 0.003 -11.507 8.489 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -6.810 19.892 -7.155 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -6.710 20.512 -7.885 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -7.720 20.002 -6.865 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 -2.454 -22.580 1.969 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 -2.564 -22.130 2.799 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 -2.044 -21.930 1.399 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 -23.817 8.709 11.666 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 -23.417 9.249 10.976 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 -23.107 8.159 11.986 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 -18.554 16.955 -23.788 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 -18.464 16.355 -23.048 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 -17.814 16.755 -24.358 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 0.413 17.701 21.398 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 0.823 17.191 20.698 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 0.593 18.611 21.158 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 16.367 -18.175 6.120 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 16.627 -17.415 6.640 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 16.747 -18.925 6.580 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 -9.997 -21.929 -8.169 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 -9.787 -21.459 -7.359 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 -9.277 -22.559 -8.269 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 10.520 -3.719 21.846 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 10.240 -3.299 22.666 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 10.490 -3.029 21.196 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -6.881 -16.303 16.698 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -6.481 -15.433 16.628 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -7.781 -16.123 16.948 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 16.064 -24.217 -11.370 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 16.984 -24.067 -11.170 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 15.944 -23.887 -12.260 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 -2.330 -0.266 -4.708 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 -2.990 0.114 -5.288 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 -1.590 -0.466 -5.278 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -19.450 15.876 -13.214 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -19.080 16.726 -12.974 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -19.760 15.996 -14.114 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -11.693 -1.797 3.151 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -11.763 -2.417 2.431 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -10.783 -1.497 3.121 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -10.582 -3.395 -12.458 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -11.122 -3.445 -11.668 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -9.772 -2.975 -12.168 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 23.475 2.367 8.177 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 23.925 1.787 7.557 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 24.125 2.507 8.867 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 18.403 4.872 22.189 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 17.913 5.422 22.809 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 19.323 5.082 22.359 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -3.922 -16.101 -10.141 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -4.762 -16.551 -10.211 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -3.312 -16.781 -9.871 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 -24.531 2.123 22.616 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 -25.171 2.823 22.476 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 -23.911 2.483 23.246 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 12.248 -3.516 12.649 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 11.948 -4.256 12.129 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 11.928 -2.746 12.169 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 6.376 -20.776 5.065 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 7.266 -21.036 5.295 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 5.866 -20.926 5.865 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 -14.243 8.061 23.295 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 -13.463 7.751 23.745 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 -13.933 8.341 22.425 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 12.474 0.251 -18.446 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 12.734 -0.559 -18.866 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 13.064 0.921 -18.786 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 1.951 6.535 1.283 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 2.261 6.305 0.403 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 2.591 6.125 1.873 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 -18.173 -4.394 -6.528 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 -17.753 -4.334 -5.668 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 -18.863 -5.044 -6.418 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 17.326 23.490 -15.211 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 16.616 23.380 -14.571 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 17.746 22.630 -15.241 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -10.504 -16.895 -22.395 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -9.564 -16.855 -22.205 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -10.744 -15.995 -22.625 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 1.185 -14.451 -0.499 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 1.385 -14.641 0.421 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 0.325 -14.041 -0.469 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 -3.114 -9.764 -19.271 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 -3.204 -9.224 -20.061 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 -2.414 -10.384 -19.491 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -9.486 16.660 3.307 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -10.246 16.200 2.947 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -9.086 17.080 2.547 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 11.949 17.575 16.076 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 11.019 17.405 16.206 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 12.039 18.525 16.166 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 11.975 -6.463 -2.328 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 12.085 -7.413 -2.318 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 11.405 -6.283 -1.578 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 -2.745 -0.222 -24.771 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 -2.825 0.528 -25.371 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 -3.645 -0.522 -24.651 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 -8.952 -19.609 16.549 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 -9.662 -20.239 16.679 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 -9.332 -18.769 16.799 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -24.032 -21.747 -6.363 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -23.932 -22.657 -6.673 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -23.502 -21.237 -6.973 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 -1.703 5.761 11.702 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 -1.643 6.301 12.492 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 -1.563 4.861 12.012 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 8.123 0.857 -20.622 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 7.693 0.797 -21.482 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 8.913 0.337 -20.722 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 7.121 -10.075 0.289 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 7.721 -10.825 0.239 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 6.831 -10.055 1.199 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 -1.135 -15.319 -22.863 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 -2.005 -15.719 -22.883 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 -1.135 -14.709 -23.603 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -6.786 4.970 23.829 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -5.836 4.930 23.719 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -7.106 5.310 22.999 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 -3.476 10.101 13.929 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 -3.046 10.721 13.339 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 -2.886 10.041 14.679 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 -1.943 23.875 19.068 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 -1.273 23.455 19.608 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 -2.773 23.605 19.468 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -4.145 -21.758 -13.034 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -3.705 -22.558 -12.734 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -3.575 -21.428 -13.734 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 20.310 13.540 -8.431 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 19.940 13.070 -7.681 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 20.330 14.450 -8.151 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 20.384 5.198 -9.811 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 21.304 5.178 -10.081 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 20.184 6.118 -9.691 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.285 -21.077 11.655 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.845 -20.917 12.415 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 5.775 -21.677 11.105 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 24.860 -10.216 -18.821 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 24.100 -9.696 -19.121 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 24.980 -10.876 -19.511 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 13.045 22.142 -16.201 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 12.205 22.572 -16.361 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 13.345 22.502 -15.361 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 15.195 10.206 15.634 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 14.405 9.676 15.594 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 15.585 10.126 14.764 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -20.525 13.491 13.462 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -20.285 12.581 13.632 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -21.395 13.591 13.862 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -23.466 -3.940 -10.850 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -23.666 -3.340 -11.570 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -23.176 -4.740 -11.290 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -20.005 -2.635 -14.925 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -19.585 -2.005 -14.345 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -20.575 -3.155 -14.355 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 16.804 17.369 8.592 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 17.364 17.779 7.942 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 17.184 17.629 9.432 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -13.955 -22.377 -0.538 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -14.685 -22.467 0.072 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -14.225 -21.697 -1.148 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 7.333 23.933 -21.333 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 7.133 23.603 -20.463 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 7.203 24.873 -21.273 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 -11.972 -17.022 -2.101 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 -12.472 -17.432 -2.801 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 -11.132 -16.802 -2.501 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 5.909 13.487 15.000 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 5.639 12.907 15.720 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 6.809 13.737 15.230 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -9.061 13.329 3.475 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -9.781 13.789 3.045 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -8.331 13.959 3.455 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 -2.757 -19.585 17.672 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 -1.877 -19.845 17.402 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 -2.657 -19.285 18.572 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -18.212 -17.368 -15.885 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -18.492 -18.078 -15.305 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -17.782 -16.738 -15.295 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 2.034 5.670 20.037 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.234 5.870 19.567 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 1.764 5.560 20.947 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 -8.369 -22.007 2.631 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 -8.319 -22.317 3.531 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 -7.679 -21.347 2.561 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 16.296 -13.345 -16.660 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 16.846 -12.685 -16.240 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 16.906 -13.985 -17.030 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 -7.506 16.207 -1.836 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 -8.076 16.947 -2.046 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 -6.776 16.297 -2.446 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -22.325 -5.610 11.361 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -22.865 -5.970 10.661 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -22.945 -5.280 12.001 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -13.553 1.441 -6.816 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -13.393 0.871 -6.056 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -13.183 2.281 -6.566 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 -8.512 6.551 18.331 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 -9.272 6.821 17.821 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 -8.362 5.651 18.081 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 -9.219 6.298 -20.214 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 -8.289 6.528 -20.184 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 -9.299 5.588 -19.584 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 -22.160 -15.213 -13.693 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 -22.000 -14.323 -13.393 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 -22.020 -15.173 -14.643 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -19.629 8.112 7.302 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -19.279 8.722 6.642 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -20.519 8.422 7.462 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -6.615 -13.932 -9.141 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -5.795 -14.292 -9.481 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -6.405 -13.032 -8.881 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -1.709 -19.768 -13.584 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -0.989 -19.378 -13.094 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -1.399 -19.798 -14.484 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 21.838 25.387 -21.728 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 21.128 25.767 -21.228 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 21.498 24.557 -22.048 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 -17.471 23.449 19.086 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 -16.651 23.149 18.696 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 -17.851 24.029 18.416 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 13.983 12.898 -5.317 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 13.243 12.418 -5.687 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 14.303 12.338 -4.607 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -8.269 -15.081 10.704 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -7.519 -15.501 11.124 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -8.939 -15.061 11.394 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 -4.285 -24.819 1.997 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 -5.105 -24.349 1.907 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 -3.625 -24.209 1.667 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 1.191 -20.387 -13.975 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 1.301 -19.507 -14.355 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 1.621 -20.327 -13.115 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -24.267 15.090 2.372 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -23.457 15.230 2.852 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -24.307 14.140 2.242 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -14.497 23.947 -3.414 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -15.017 24.497 -4.004 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -14.497 24.427 -2.584 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 -2.442 -23.890 -17.020 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 -1.712 -23.530 -16.510 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 -3.012 -24.290 -16.360 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 15.124 -24.026 0.011 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 14.274 -24.346 0.311 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 15.674 -24.036 0.791 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 -21.899 16.780 4.560 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 -21.769 17.620 4.110 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 -21.809 16.990 5.490 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 2.816 11.492 -24.241 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 2.176 12.172 -24.451 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 2.946 11.022 -25.061 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 -20.105 19.805 -14.873 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 -19.365 20.335 -14.583 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 -19.715 19.165 -15.483 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 -11.736 -4.672 -21.811 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 -12.186 -3.822 -21.821 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 -10.906 -4.492 -21.361 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 -4.627 17.899 -6.623 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 -5.197 18.609 -6.923 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 -3.757 18.159 -6.913 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 24.748 4.802 13.101 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 24.208 5.382 13.651 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 24.128 4.172 12.731 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 -8.409 -15.020 20.621 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 -8.289 -14.930 19.671 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 -7.549 -14.840 21.001 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 5.157 -20.624 22.272 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 4.557 -19.914 22.492 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 4.587 -21.384 22.142 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 13.671 -8.233 10.811 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 14.601 -8.083 10.691 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 13.461 -8.943 10.201 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 -24.522 -6.913 8.321 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 -24.732 -6.583 7.451 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 -23.632 -6.603 8.491 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 1.161 -9.900 -24.695 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 0.511 -9.230 -24.915 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 1.591 -9.560 -23.905 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 19.096 19.830 -0.578 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 19.516 19.210 0.022 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 18.866 20.580 -0.028 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 -1.113 -21.735 -21.354 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 -1.023 -21.655 -22.304 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 -1.183 -22.685 -21.204 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 18.005 1.775 10.076 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 18.605 1.285 9.516 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 18.565 2.205 10.726 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -16.299 -13.826 23.696 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -15.889 -14.676 23.496 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -15.999 -13.636 24.586 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 16.828 -5.360 6.221 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 16.598 -5.850 7.011 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 17.068 -6.030 5.581 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 1.324 13.380 -11.369 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 1.024 14.210 -11.729 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 2.264 13.510 -11.229 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -22.449 16.022 -17.971 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -21.589 16.422 -18.081 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -22.929 16.622 -17.401 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -22.466 -0.613 7.647 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -21.886 -0.313 6.937 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -21.956 -1.303 8.087 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 -6.635 -20.005 -12.988 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 -5.945 -20.605 -13.278 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 -6.705 -19.355 -13.688 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 -7.434 -20.070 -22.735 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 -7.704 -19.200 -23.015 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 -6.944 -20.430 -23.475 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 -2.055 -10.941 12.384 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 -1.305 -10.371 12.554 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 -1.785 -11.801 12.704 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -12.259 -21.395 -19.478 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -12.289 -20.475 -19.228 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -12.529 -21.865 -18.678 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -14.274 13.038 -23.005 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -13.824 12.228 -23.225 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -14.094 13.628 -23.735 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -20.655 18.098 -24.950 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -20.965 18.558 -24.170 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -19.965 17.518 -24.640 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 -0.375 -21.465 4.566 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 -0.915 -22.215 4.836 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 0.415 -21.865 4.216 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 13.997 3.422 3.599 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 14.357 3.522 2.719 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 14.757 3.322 4.159 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 11.120 -17.221 -9.455 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 10.640 -18.041 -9.495 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 12.040 -17.481 -9.385 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 4.303 -17.102 -10.637 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 5.043 -17.102 -11.247 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 4.443 -16.312 -10.107 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 -1.096 9.381 -10.948 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 -0.336 9.121 -11.468 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 -0.876 9.141 -10.048 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -1.529 -2.790 -24.295 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -1.649 -1.860 -24.485 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -0.609 -2.960 -24.495 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 -22.314 -10.696 17.811 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 -22.814 -10.226 17.141 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 -21.834 -10.006 18.271 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 -11.965 -0.910 -12.491 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 -12.545 -1.160 -11.771 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 -11.515 -1.730 -12.721 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 11.427 6.427 -7.609 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 10.517 6.507 -7.309 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 11.827 7.257 -7.369 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 9.230 15.765 17.262 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 8.790 16.405 16.702 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 9.870 15.345 16.692 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -23.662 7.983 18.415 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -22.872 8.063 18.945 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -23.362 7.513 17.625 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 14.545 -11.927 -23.023 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 14.175 -12.807 -22.933 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 14.655 -11.807 -23.963 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -19.069 -4.671 -1.417 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -19.669 -4.151 -0.887 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -18.959 -5.491 -0.917 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 -14.194 22.705 22.742 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 -14.794 23.445 22.752 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 -13.884 22.625 23.642 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 -9.433 -20.550 8.375 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 -9.673 -19.850 7.765 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 -9.033 -20.100 9.115 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 -4.066 -9.270 18.620 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 -3.266 -9.660 18.260 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 -3.776 -8.790 19.400 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 23.013 -6.499 -0.878 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 23.663 -5.819 -0.698 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 23.053 -7.079 -0.118 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 21.661 0.186 6.097 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 21.661 -0.324 6.907 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 20.821 0.656 6.107 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 9.823 6.482 13.455 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 9.403 5.872 14.065 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 9.303 7.292 13.545 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 7.823 -3.272 14.162 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 7.143 -2.972 14.752 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 8.353 -3.872 14.692 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 -16.907 -16.605 7.151 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 -16.567 -15.915 6.581 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 -16.697 -16.305 8.031 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 23.697 8.062 20.009 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 23.697 9.012 20.099 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 24.027 7.902 19.129 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 -16.784 12.044 -5.295 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -16.564 11.894 -4.375 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 -17.584 11.534 -5.435 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -22.755 13.772 7.933 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -23.345 14.492 7.703 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -22.645 13.842 8.873 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 12.493 -19.485 -2.854 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 12.403 -18.775 -2.224 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 12.143 -20.255 -2.394 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -5.033 -3.922 13.443 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -4.433 -3.402 13.983 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -5.793 -4.072 13.993 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 -6.252 15.159 -14.827 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 -5.312 15.119 -14.617 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 -6.492 14.259 -15.037 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 8.019 -22.400 -12.894 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 8.939 -22.270 -13.134 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 7.709 -23.080 -13.494 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 3.599 -25.025 -22.027 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 4.479 -24.645 -22.067 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 3.089 -24.525 -22.657 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 -17.980 3.589 7.720 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 -17.480 3.309 8.490 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 -17.310 3.819 7.080 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 3.016 23.202 -15.421 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 3.806 23.672 -15.141 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 3.296 22.712 -16.201 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 16.880 16.081 -21.814 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 16.330 16.321 -21.064 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 17.380 16.871 -22.004 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 20.587 -18.935 -10.635 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 21.087 -19.485 -10.025 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 21.267 -18.475 -11.145 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 18.907 -18.749 23.613 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 17.957 -18.879 23.633 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 19.277 -19.629 23.723 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 7.984 -24.472 12.240 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 8.654 -24.062 12.790 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 7.564 -25.122 12.810 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 -12.123 4.021 -12.416 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 -12.873 3.491 -12.146 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 -12.453 4.911 -12.426 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 -23.237 -4.364 -8.203 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 -24.077 -3.914 -8.113 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 -22.907 -4.074 -9.053 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 14.078 8.430 11.075 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 13.338 7.900 11.365 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 14.848 7.970 11.405 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 23.056 10.609 25.102 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 23.486 10.109 24.412 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 22.796 9.949 25.752 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 -14.536 9.678 -6.083 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 -14.066 9.558 -5.253 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 -15.316 10.178 -5.843 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -15.203 17.523 15.195 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -14.413 16.983 15.295 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -15.893 16.903 14.975 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -11.381 5.810 20.859 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -11.331 6.660 21.299 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -12.271 5.520 21.009 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 1.446 -14.744 -10.788 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 0.786 -14.904 -10.118 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 1.016 -14.144 -11.408 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 -20.676 -1.361 20.096 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 -21.096 -0.631 20.556 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 -21.026 -1.311 19.206 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 3.974 23.135 -10.105 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 3.644 23.165 -9.205 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 4.024 24.055 -10.375 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 -22.026 7.387 -12.338 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 -21.096 7.517 -12.108 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 -22.286 8.217 -12.738 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -14.266 -2.645 -24.785 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -14.476 -2.625 -25.725 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -14.096 -3.565 -24.605 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 -11.415 18.995 -1.538 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 -11.355 18.455 -2.318 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 -11.475 18.375 -0.818 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -20.134 -22.982 1.067 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -20.524 -22.712 1.897 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -19.964 -22.162 0.597 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 4.599 -14.529 -11.950 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 3.989 -14.749 -11.250 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 4.209 -14.899 -12.740 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 2.447 0.901 -0.884 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 3.117 1.501 -1.214 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 1.727 1.471 -0.624 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 16.176 -5.249 19.629 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 16.526 -5.029 18.769 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 15.496 -4.589 19.789 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -7.766 21.155 -14.599 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -7.146 21.885 -14.569 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -7.226 20.385 -14.739 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 -2.657 8.033 -6.532 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 -2.217 8.643 -5.932 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 -3.567 8.343 -6.562 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 22.261 24.091 -10.838 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 21.662 24.771 -10.518 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 21.691 23.361 -11.078 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 11.369 2.378 -1.349 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 10.869 2.728 -0.609 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 12.139 2.938 -1.419 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 24.916 24.118 -11.658 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 24.046 24.488 -11.508 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 24.896 23.808 -12.558 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 12.527 -24.585 17.265 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 12.107 -24.995 18.025 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 12.167 -25.065 16.515 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 10.749 8.513 15.652 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 10.719 8.963 16.502 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 9.939 8.783 15.212 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 8.414 -23.996 -18.828 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 8.574 -23.376 -19.538 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 7.464 -24.096 -18.798 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 -18.402 -4.097 4.657 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 -19.232 -4.377 5.037 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 -18.092 -3.407 5.237 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 12.683 6.490 14.568 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 12.013 7.030 14.148 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 13.513 6.900 14.308 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 -13.471 24.067 -22.011 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 -12.911 24.427 -21.321 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 -13.601 23.157 -21.761 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 21.524 2.601 24.067 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 21.084 2.131 23.357 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 21.154 2.231 24.867 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 -17.777 14.872 20.971 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 -16.957 15.112 20.541 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 -17.747 15.302 21.821 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 8.415 16.888 -11.711 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 7.885 16.198 -12.121 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 7.835 17.648 -11.671 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 7.086 4.958 8.010 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 6.586 4.328 7.470 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 6.886 4.708 8.910 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -8.116 1.783 25.261 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -7.666 2.453 24.741 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -8.996 1.733 24.891 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 19.505 -7.758 18.473 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 19.025 -7.788 19.303 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 20.145 -8.458 18.533 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -11.910 14.665 -14.721 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -12.440 15.345 -14.301 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -12.540 14.085 -15.141 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 23.091 -6.486 19.163 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 22.821 -7.356 19.433 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 23.371 -6.066 19.983 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -22.529 6.830 21.289 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -22.649 7.520 21.939 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -21.889 6.230 21.689 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 -10.544 13.781 -22.142 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 -10.934 13.491 -22.962 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 -9.904 14.441 -22.392 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 11.193 18.147 -21.591 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 10.963 19.007 -21.951 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 12.013 17.917 -22.031 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 -7.391 7.249 -10.453 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 -7.011 7.379 -9.583 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 -7.821 8.079 -10.653 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 1.726 -7.731 -17.641 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 0.896 -7.291 -17.831 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 1.746 -7.801 -16.681 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 -5.802 12.361 -15.191 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 -6.392 11.811 -14.671 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 -5.422 11.761 -15.831 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 19.313 6.341 1.653 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 19.793 5.601 2.023 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 19.373 7.031 2.313 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 24.430 -25.243 -19.752 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 25.210 -24.733 -19.522 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 23.720 -24.603 -19.772 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 -1.707 2.110 -10.353 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 -2.267 1.340 -10.443 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 -1.717 2.520 -11.223 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 -23.521 -23.740 10.975 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 -22.821 -23.110 11.125 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 -23.561 -23.840 10.025 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 -18.741 20.945 -21.131 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 -19.011 20.705 -20.251 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -19.541 21.245 -21.561 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 18.320 -5.389 -1.499 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 18.420 -6.119 -2.119 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 17.570 -4.899 -1.829 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 -8.556 -24.502 -19.146 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 -8.236 -23.682 -18.786 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 -8.226 -24.522 -20.046 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -11.137 -18.939 -20.453 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -10.517 -18.469 -21.003 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -11.507 -18.269 -19.883 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 24.670 11.332 4.371 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 24.450 10.412 4.221 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 24.250 11.802 3.661 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -18.172 19.143 13.001 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -18.592 20.003 13.001 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -17.302 19.303 13.351 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 9.597 21.290 22.015 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 9.977 20.480 22.365 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 8.657 21.180 22.165 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -8.394 -23.070 5.061 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -9.274 -23.420 5.171 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -8.234 -22.570 5.861 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 11.277 -21.699 -8.209 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 12.047 -21.259 -7.849 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 11.587 -22.089 -9.029 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -16.997 -6.165 8.869 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -16.557 -5.875 8.059 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -16.287 -6.515 9.399 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -23.331 8.660 0.656 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -22.981 8.320 -0.174 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -22.791 9.430 0.836 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -5.286 22.483 15.504 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -5.616 21.583 15.564 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -5.186 22.763 16.414 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 22.478 -24.349 19.933 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 21.598 -24.639 20.153 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 22.898 -25.129 19.553 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 11.266 12.163 9.652 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 11.876 11.743 10.262 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 10.576 11.513 9.502 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 3.388 13.755 -5.359 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 3.648 13.045 -5.939 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 4.208 14.185 -5.109 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 17.006 -15.991 -24.254 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 17.576 -16.401 -23.604 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 16.646 -16.721 -24.754 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 4.335 24.898 -1.026 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 4.405 24.398 -1.836 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 4.615 24.288 -0.346 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 14.730 7.814 22.313 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 15.270 7.634 23.083 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 14.000 7.194 22.393 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 14.065 14.929 -15.911 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 13.745 14.159 -15.431 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 13.975 15.649 -15.291 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -2.872 24.668 14.612 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -3.822 24.758 14.642 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -2.692 24.358 13.722 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -2.377 21.374 17.409 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -1.907 21.964 17.999 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -2.757 21.954 16.749 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 18.661 -1.757 12.159 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 19.271 -1.057 11.959 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 19.091 -2.547 11.839 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -2.127 16.143 19.736 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -1.627 16.953 19.666 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -2.447 15.973 18.856 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 0.067 8.036 -0.336 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -0.123 8.546 0.454 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -0.743 7.566 -0.526 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 10.616 12.929 -0.496 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 10.966 13.799 -0.696 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 10.576 12.479 -1.346 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 11.913 16.572 -14.823 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 11.643 17.002 -15.633 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 11.113 16.482 -14.313 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 11.771 -1.730 -10.947 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 11.681 -0.780 -10.967 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 12.061 -1.970 -11.827 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 -13.944 19.231 -5.965 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 -14.084 18.761 -5.145 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 -14.544 18.831 -6.595 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 -3.763 -7.053 25.041 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 -3.813 -6.113 25.221 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 -3.563 -7.113 24.111 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 21.813 -5.187 2.156 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 21.743 -4.577 2.886 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 22.003 -4.627 1.396 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 5.258 -6.122 -1.334 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 4.428 -6.142 -0.854 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 5.798 -6.782 -0.904 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 12.676 0.871 -21.712 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 13.066 1.561 -22.252 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 12.766 0.071 -22.242 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 16.728 -19.022 -7.204 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 17.458 -19.272 -7.764 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 16.438 -18.182 -7.564 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 21.098 -18.118 -19.741 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 21.308 -18.278 -18.821 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 20.638 -18.908 -20.031 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 13.731 -12.911 -10.644 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 13.541 -12.001 -10.404 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 14.621 -13.061 -10.324 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 24.261 -7.762 -5.210 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 25.091 -8.222 -5.380 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 23.741 -8.382 -4.700 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 13.630 -14.111 3.399 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 13.040 -14.871 3.399 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 14.370 -14.401 2.869 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -11.566 -12.547 19.700 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -12.086 -12.847 18.950 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.126 -11.757 19.390 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -14.261 -21.321 18.258 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -13.781 -21.831 18.908 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -14.611 -20.571 18.738 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 20.593 -5.322 21.557 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 21.103 -4.582 21.887 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 19.763 -5.272 22.017 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 -18.885 10.059 -18.161 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 -19.105 9.129 -18.231 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 -19.405 10.369 -17.421 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -6.166 -13.245 -20.140 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -5.346 -13.115 -19.660 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -6.046 -12.755 -20.960 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 18.750 -15.851 -11.010 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 18.620 -15.321 -10.230 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 19.560 -16.341 -10.840 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 19.580 -10.584 12.677 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 19.640 -10.944 11.787 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 18.640 -10.514 12.837 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -0.804 -15.003 2.369 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -1.094 -15.123 3.279 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -1.514 -14.513 1.949 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 4.815 15.628 -19.935 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 4.725 14.698 -20.135 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 5.725 15.828 -20.155 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 20.071 8.977 20.653 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 20.171 9.587 21.373 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 20.601 9.347 19.943 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 4.014 -3.895 19.205 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 4.234 -3.475 20.035 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 3.884 -4.815 19.435 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -3.621 -9.465 23.356 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -4.531 -9.455 23.056 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -3.111 -9.655 22.566 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 18.663 -18.253 12.862 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 18.753 -17.483 12.292 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 18.453 -17.893 13.722 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 4.870 -19.430 -22.314 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 4.440 -19.830 -23.054 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 4.160 -19.210 -21.704 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 22.793 -1.673 1.270 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 21.963 -1.643 0.800 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 22.553 -1.903 2.160 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -13.214 -15.305 -4.560 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -13.614 -14.695 -5.190 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -13.774 -16.085 -4.600 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 15.207 -16.184 11.921 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 15.057 -16.054 12.861 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 14.537 -15.634 11.491 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 -0.265 -22.371 -16.137 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 -0.455 -21.491 -15.807 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 0.445 -22.691 -15.577 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 3.138 19.065 18.041 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 2.868 18.865 17.151 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 2.998 18.245 18.521 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 20.691 16.321 13.475 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 20.481 16.691 14.325 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 21.461 15.781 13.635 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 18.364 0.540 -0.525 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 19.224 0.710 -0.925 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 18.244 -0.400 -0.605 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 7.244 -0.127 16.570 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 7.724 -0.867 16.940 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 7.904 0.363 16.080 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.576 -15.865 -2.610 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.146 -16.385 -3.290 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 10.766 -16.485 -1.910 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 21.078 22.520 -2.162 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 20.838 23.330 -1.712 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 22.028 22.450 -2.032 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -14.005 -21.728 -24.336 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -13.585 -20.968 -23.936 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -14.325 -21.408 -25.186 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 5.803 -14.699 -18.160 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 5.703 -15.319 -18.890 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 4.913 -14.429 -17.950 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 23.394 11.103 8.278 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 22.964 11.923 8.528 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 22.764 10.423 8.508 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 11.554 -6.037 8.186 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 11.534 -5.097 7.986 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 11.894 -6.087 9.076 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 -22.499 -19.342 -21.270 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 -23.309 -19.842 -21.160 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 -21.939 -19.622 -20.540 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 6.153 5.890 -25.355 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 6.413 6.770 -25.645 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 6.743 5.690 -24.635 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 3.365 3.948 -16.804 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 4.315 3.828 -16.884 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 3.105 4.378 -17.614 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 3.305 -14.917 -8.644 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 2.655 -14.707 -9.324 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 3.275 -14.157 -8.054 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 19.535 -15.838 17.482 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 19.985 -16.688 17.502 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 19.365 -15.638 18.402 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -23.247 3.024 -17.701 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -24.007 2.654 -18.151 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -23.457 2.924 -16.771 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -17.946 -24.248 -10.557 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -17.686 -23.418 -10.167 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -17.466 -24.908 -10.057 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 20.796 2.052 -21.835 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 21.526 2.022 -22.455 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 20.096 1.552 -22.265 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 13.016 10.755 20.406 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 13.936 10.635 20.646 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 12.806 11.635 20.706 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 -19.546 10.568 9.597 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 -18.636 10.348 9.797 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 -20.046 9.848 9.987 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 -17.245 -3.771 -23.414 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 -16.795 -4.251 -22.724 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 -17.075 -4.271 -24.214 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 11.441 9.723 -10.227 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 11.411 10.613 -10.587 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 10.971 9.193 -10.857 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 4.298 8.445 -2.348 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 4.718 9.215 -1.968 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 3.398 8.475 -1.998 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 -20.272 -13.377 -12.559 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 -19.802 -12.747 -13.109 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 -19.832 -14.207 -12.729 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 9.058 -15.045 -5.175 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 9.708 -14.385 -5.435 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 8.578 -14.635 -4.455 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 -19.140 7.793 -13.845 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 -20.020 8.143 -13.985 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 -19.070 7.713 -12.895 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -17.504 -24.837 -16.924 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -16.814 -24.277 -17.264 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -18.014 -25.077 -17.704 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -20.531 -16.187 8.318 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -20.061 -15.527 8.818 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -19.851 -16.737 7.938 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 -14.912 -10.321 -18.112 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 -15.032 -10.311 -19.062 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 -15.592 -10.911 -17.792 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -2.272 0.277 5.356 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -3.082 0.587 4.956 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -2.512 -0.553 5.776 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 -0.549 -14.471 -4.471 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 -0.299 -15.081 -5.171 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 0.271 -14.261 -4.031 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 -1.113 -23.768 13.152 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 -0.283 -23.378 12.862 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 -1.243 -24.508 12.562 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 5.228 1.712 15.905 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 5.368 0.772 15.865 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 6.038 2.092 15.555 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 10.454 23.690 -8.378 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 11.304 23.910 -8.018 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 9.864 23.670 -7.618 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 16.771 -6.592 21.878 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 17.661 -6.482 21.538 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 16.291 -5.852 21.508 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 4.704 -4.824 -8.781 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 3.904 -5.354 -8.801 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 5.404 -5.434 -9.031 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -20.927 -1.802 14.141 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -21.427 -1.012 13.921 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -20.787 -2.242 13.301 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 15.981 19.503 -22.801 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 16.861 19.503 -22.431 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 15.821 20.423 -23.031 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -22.712 21.312 -15.331 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -22.012 21.942 -15.541 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -22.382 20.472 -15.661 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 5.946 -14.635 12.556 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 6.356 -14.655 13.426 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 6.336 -15.385 12.096 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 -22.337 5.971 -18.111 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 -21.707 6.271 -17.461 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 -22.647 5.131 -17.781 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -20.946 -9.270 11.125 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -20.256 -9.940 11.065 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -21.616 -9.670 11.675 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 9.683 -19.551 -1.561 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 9.833 -20.491 -1.531 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 9.523 -19.351 -2.481 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 -10.162 10.412 10.729 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 -10.812 9.982 10.189 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 -10.172 9.922 11.559 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 7.124 -13.366 -4.098 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 7.134 -12.906 -4.938 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 6.204 -13.586 -3.958 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -24.672 -19.619 -25.404 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -24.192 -19.429 -24.594 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -25.512 -19.179 -25.294 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 11.744 -9.420 -11.775 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 11.264 -10.250 -11.715 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 11.074 -8.750 -11.705 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -4.686 -11.595 16.774 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -4.596 -12.515 17.024 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -3.896 -11.405 16.274 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 24.754 -1.246 22.497 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 25.434 -1.456 21.857 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 23.934 -1.286 21.987 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -6.097 -25.428 11.081 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -5.327 -25.338 10.531 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -6.187 -24.588 11.521 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 8.635 1.715 4.829 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 8.815 1.495 5.739 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 9.505 1.745 4.419 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -14.743 -13.691 17.849 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -14.803 -14.441 18.439 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -15.563 -13.691 17.369 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 -15.600 22.470 2.637 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 -16.050 21.860 2.057 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 -15.290 23.170 2.057 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -24.187 -3.327 7.519 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -24.197 -2.387 7.359 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -24.017 -3.717 6.659 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -25.264 18.710 22.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -25.374 18.540 21.499 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -24.374 18.410 22.619 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -21.414 -11.442 -7.027 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -22.194 -11.982 -6.907 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -20.824 -11.992 -7.537 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -18.716 24.725 -22.224 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -19.586 24.745 -22.634 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -18.896 24.695 -21.284 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 1.504 -13.660 18.746 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 1.984 -14.400 18.376 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 2.184 -13.070 19.066 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 3.179 9.213 18.545 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 2.979 8.393 18.995 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 2.479 9.303 17.895 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 19.139 20.628 9.245 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 19.649 19.958 9.705 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 19.229 21.418 9.765 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 -11.526 22.916 16.672 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 -10.786 22.876 16.062 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 -11.636 23.846 16.862 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -20.046 -8.171 -17.641 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -20.786 -7.971 -18.201 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -19.976 -9.131 -17.661 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 5.963 -23.142 24.579 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 6.563 -22.622 25.119 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 5.893 -22.642 23.759 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 -6.554 6.892 -20.154 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 -5.804 6.352 -20.384 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 -6.324 7.772 -20.444 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 -9.327 18.381 22.471 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 -8.667 17.931 23.001 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 -10.117 17.861 22.591 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 -1.973 24.662 6.732 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 -2.623 24.022 6.452 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 -2.103 25.412 6.152 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 22.995 3.526 19.449 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 23.555 3.396 18.679 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 23.495 4.126 20.009 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 5.293 -11.627 -1.575 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 4.693 -10.917 -1.795 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 6.033 -11.207 -1.155 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 10.665 -6.762 22.687 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 10.435 -6.052 22.087 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 11.585 -6.612 22.887 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 23.921 -11.395 9.591 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 23.561 -10.845 10.281 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 24.761 -11.685 9.921 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 19.133 -20.925 6.112 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 19.963 -20.575 5.792 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 19.023 -21.755 5.642 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 -6.077 17.787 10.732 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 -6.267 18.227 11.562 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 -5.457 18.367 10.282 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 9.848 9.729 -24.304 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 9.838 10.309 -25.074 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 8.948 9.429 -24.214 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 16.209 -18.789 20.425 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 16.589 -18.009 20.025 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 16.629 -19.519 19.975 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 21.816 -1.021 -6.101 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 20.926 -0.821 -5.831 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 22.126 -1.651 -5.461 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -18.701 21.564 20.395 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -17.871 21.084 20.465 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -18.461 22.394 19.995 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 21.020 5.505 5.193 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 21.840 5.435 4.713 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 20.350 5.625 4.513 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 24.597 -12.677 -12.241 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 24.957 -12.607 -13.121 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 24.987 -13.477 -11.881 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 -7.260 2.315 -15.940 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 -8.180 2.415 -16.160 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 -7.060 3.065 -15.390 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 7.895 8.892 13.609 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 7.455 9.662 13.959 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 7.425 8.152 13.999 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 6.359 0.116 -11.431 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 6.389 1.036 -11.171 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 7.009 -0.304 -10.861 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 11.087 1.081 -10.804 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 11.287 2.021 -10.794 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 10.137 1.041 -10.744 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 24.337 6.349 -4.778 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 23.387 6.309 -4.888 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 24.577 7.229 -5.068 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 -9.702 -16.249 5.695 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 -9.332 -16.109 4.825 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 -9.472 -15.459 6.185 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 -18.296 -9.780 -0.699 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 -18.016 -8.940 -0.339 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 -18.166 -10.410 0.001 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 2.503 -24.357 -19.609 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 1.703 -24.867 -19.489 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 3.023 -24.887 -20.209 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -0.127 3.543 -17.838 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 0.373 3.103 -17.148 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 0.453 3.503 -18.598 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 0.134 -1.069 -18.276 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -0.326 -0.299 -17.926 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -0.566 -1.709 -18.426 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.736 11.185 -16.808 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 22.346 10.835 -16.168 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 21.316 11.925 -16.378 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 21.311 -16.570 -8.586 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 20.601 -16.100 -8.126 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 20.881 -17.340 -8.966 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -1.899 -0.730 19.122 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -2.739 -0.910 18.702 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -1.549 -1.590 19.352 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 9.370 -14.608 2.887 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 9.770 -15.478 2.897 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 8.450 -14.778 2.677 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 16.304 22.801 6.211 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 15.564 23.101 6.741 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 17.074 23.061 6.711 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 -8.069 -18.703 -18.304 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 -8.099 -19.503 -18.824 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 -8.849 -18.753 -17.744 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 5.465 -24.631 -8.412 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 6.325 -25.051 -8.452 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 5.665 -23.701 -8.332 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 0.634 -5.978 -9.411 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 0.854 -5.898 -8.481 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 0.464 -5.088 -9.691 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -1.660 9.152 6.748 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -0.940 8.912 7.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -2.130 8.332 6.608 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 20.460 -8.627 -0.946 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 20.160 -8.437 -1.836 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 20.000 -7.987 -0.406 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 10.348 -0.427 -5.913 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 10.158 0.153 -6.643 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 10.438 0.163 -5.163 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -24.754 -10.089 20.327 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -24.684 -11.029 20.197 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -25.674 -9.939 20.507 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 -8.205 13.260 19.760 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 -7.635 13.190 20.530 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 -7.615 13.520 19.050 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 1.499 -20.291 19.733 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 1.559 -20.711 20.593 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 1.359 -21.011 19.123 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 3.684 15.009 -1.731 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 3.734 15.819 -2.251 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 2.824 14.649 -1.951 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 22.306 21.039 -18.633 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 22.826 20.359 -19.063 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 22.896 21.379 -17.953 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 4.016 7.484 21.007 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 3.166 7.234 21.367 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 4.066 7.024 20.167 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 17.300 -22.790 -5.377 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 17.530 -23.170 -4.527 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 17.910 -22.050 -5.477 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -0.751 -16.808 -0.820 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -0.401 -16.568 -1.680 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -0.161 -16.388 -0.200 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 10.355 -15.376 -22.818 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 11.135 -15.326 -23.358 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 9.795 -16.016 -23.248 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 10.877 -20.911 14.218 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 10.527 -21.121 15.088 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 11.727 -21.351 14.198 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 10.999 22.817 -4.631 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 11.269 21.897 -4.631 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 11.499 23.207 -5.351 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 20.928 13.390 -12.205 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 21.288 14.260 -12.385 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 20.918 13.320 -11.255 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.249 -5.469 -24.751 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 3.039 -5.639 -24.221 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.049 -6.319 -25.161 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 24.755 18.940 19.711 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 23.925 19.400 19.601 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 25.145 18.940 18.831 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 12.534 -9.847 -22.177 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 13.434 -10.167 -22.077 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 12.124 -10.457 -22.797 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 -2.112 23.000 -15.062 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 -1.532 23.670 -15.412 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 -1.602 22.200 -15.082 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -24.537 19.782 -0.933 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -25.437 20.102 -0.983 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -24.367 19.672 -0.003 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 14.176 -23.238 -19.903 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 13.996 -23.798 -20.653 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 13.736 -23.668 -19.163 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 -22.074 -3.881 18.847 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 -21.464 -3.851 18.107 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 -22.504 -4.741 18.767 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 21.331 22.806 6.562 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 20.821 23.586 6.372 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 21.371 22.336 5.722 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 2.861 -18.071 -1.104 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 3.791 -18.081 -1.334 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 2.571 -17.181 -1.284 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 -1.779 7.361 22.449 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 -1.669 7.971 21.729 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 -2.709 7.141 22.449 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 15.069 -16.764 3.872 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 14.789 -17.504 4.402 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 15.209 -16.054 4.502 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 8.474 17.463 -7.878 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 9.304 17.603 -8.338 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 7.964 16.923 -8.478 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -7.702 -8.255 -23.428 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -7.962 -7.385 -23.138 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -6.822 -8.375 -23.068 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 12.204 -15.087 -6.979 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 12.014 -14.157 -6.849 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 11.674 -15.347 -7.739 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -2.630 18.353 17.092 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -3.520 18.393 17.432 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -2.290 19.243 17.222 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -17.936 -8.534 19.342 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -18.466 -7.954 18.792 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -17.336 -8.964 18.722 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 10.397 -12.804 -6.409 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 9.927 -12.004 -6.159 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 10.237 -12.894 -7.349 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -13.004 23.854 -24.688 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -12.924 24.754 -25.008 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -13.154 23.944 -23.748 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 5.415 -9.105 -1.703 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 4.535 -9.295 -1.363 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 5.885 -8.735 -0.953 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 24.521 0.590 24.709 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 24.681 1.470 24.359 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 24.791 0.010 23.999 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 3.806 -0.483 -11.478 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 3.536 -1.033 -12.218 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 4.766 -0.523 -11.478 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 15.450 -5.426 -1.594 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 15.200 -6.106 -2.214 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 14.740 -5.396 -0.954 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 11.634 -4.856 -4.587 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 12.484 -5.066 -4.977 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 11.504 -5.536 -3.927 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 14.408 23.318 14.320 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.068 23.498 13.660 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 14.678 22.488 14.710 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 -23.382 -12.705 23.740 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 -22.882 -11.895 23.620 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 -23.202 -13.215 22.940 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -15.484 9.648 -0.327 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -15.074 9.068 -0.957 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 -15.214 9.308 0.523 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 5.930 -23.853 7.523 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 5.760 -24.773 7.713 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 6.150 -23.473 8.373 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 -9.740 22.295 23.309 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 -9.620 22.055 22.389 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 -10.060 23.195 23.279 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 -13.054 -23.888 12.763 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 -13.244 -24.328 13.593 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 -12.114 -23.708 12.793 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 0.691 -7.057 -14.871 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 1.511 -6.587 -15.031 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 0.011 -6.387 -14.961 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 5.648 -11.464 11.669 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 6.128 -11.074 10.939 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 4.958 -11.984 11.259 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -5.552 -2.252 -15.557 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -5.182 -2.292 -16.437 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -4.922 -1.742 -15.047 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 0.145 21.720 -5.352 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 0.095 22.600 -5.722 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 0.495 21.170 -6.062 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 11.400 -15.041 13.909 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 10.870 -15.701 13.459 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 10.770 -14.381 14.189 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 -8.536 8.024 -1.707 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 -8.756 7.374 -2.367 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 -8.556 8.854 -2.177 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 18.704 12.926 4.089 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 19.474 12.966 4.659 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 18.064 13.516 4.499 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 -3.487 0.245 -7.401 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 -3.837 0.705 -8.161 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 -2.757 -0.275 -7.741 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 2.408 8.598 9.980 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 2.698 9.478 9.740 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 2.578 8.068 9.210 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 1.195 -16.101 -5.793 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 2.015 -16.281 -5.333 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 1.265 -16.581 -6.613 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 -13.375 -7.103 13.040 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 -14.215 -6.733 13.320 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 -13.545 -8.033 12.930 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 18.467 7.496 24.048 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 17.947 8.286 24.208 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 19.117 7.496 24.748 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 -8.609 15.735 -4.760 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 -8.029 16.295 -4.230 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 -8.239 15.775 -5.640 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 22.646 11.371 22.041 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 23.436 10.851 22.191 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 22.256 11.461 22.911 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 23.194 11.098 17.952 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 22.794 11.818 17.462 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 22.794 11.148 18.822 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -9.132 1.127 -8.691 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -9.202 0.237 -8.351 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -9.862 1.207 -9.301 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 10.064 3.586 -16.840 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 10.544 2.766 -16.970 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 9.744 3.816 -17.710 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.524 -6.998 13.839 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.684 -6.568 14.029 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 5.054 -6.828 14.619 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 -21.987 -5.045 -23.365 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 -22.507 -5.075 -22.565 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 -21.707 -4.135 -23.445 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 19.927 25.289 -19.933 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 20.697 25.099 -19.403 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 19.187 25.019 -19.393 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -5.063 16.679 3.399 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -4.643 16.839 2.549 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -4.383 16.269 3.929 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 -16.099 -15.351 2.507 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 -15.199 -15.581 2.287 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 -16.539 -15.251 1.667 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 6.275 -23.301 10.423 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 5.415 -23.501 10.803 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 6.905 -23.671 11.053 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 12.926 2.893 11.270 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 13.236 2.593 12.120 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 11.976 3.003 11.390 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 10.483 15.294 -12.802 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 9.743 15.864 -12.572 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 11.063 15.344 -12.042 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 -21.467 -7.670 -21.887 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 -22.187 -7.430 -22.477 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 -20.777 -7.040 -22.077 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -4.124 -20.842 -16.454 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -4.494 -19.952 -16.444 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -3.314 -20.762 -16.964 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 -22.753 -17.738 -3.659 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 -22.193 -18.268 -4.239 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 -22.133 -17.258 -3.109 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -1.322 -13.697 -0.567 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.132 -14.177 -0.727 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.512 -13.137 0.183 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -10.792 0.331 -20.274 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -11.012 -0.369 -20.894 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -9.902 0.591 -20.524 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 7.676 3.998 18.369 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 7.946 4.648 19.019 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 6.896 4.378 17.959 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 22.736 -20.994 0.388 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 22.886 -20.114 0.038 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 22.346 -20.854 1.248 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 -11.369 19.302 10.888 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 -12.289 19.072 10.998 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 -11.379 20.202 10.568 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 -17.665 10.092 -15.484 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 -17.725 9.672 -14.624 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 -18.245 9.572 -16.044 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -8.882 9.048 16.462 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -8.412 8.638 15.732 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -9.612 8.448 16.632 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 -3.301 2.820 -21.038 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 -3.771 2.070 -21.388 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 -2.871 3.210 -21.798 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -15.837 -21.738 1.855 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -16.417 -20.988 1.995 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -16.257 -22.238 1.155 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 -17.222 11.845 -24.459 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 -16.312 12.135 -24.429 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 -17.702 12.615 -24.779 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -16.862 -19.092 1.854 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -17.702 -18.652 1.994 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -16.422 -19.022 2.704 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 24.045 -24.360 17.051 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 24.965 -24.560 16.881 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 24.045 -23.500 17.461 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -21.566 -3.787 5.861 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -21.976 -3.837 6.721 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -20.776 -3.277 6.001 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 15.095 11.600 -8.351 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 14.495 11.100 -7.801 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 15.965 11.360 -8.041 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 8.369 -8.791 22.131 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 8.889 -9.481 22.551 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 8.959 -8.031 22.101 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 6.540 -12.320 14.196 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 6.800 -11.660 13.556 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 5.680 -12.610 13.896 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 5.601 11.709 8.314 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 5.321 12.439 7.774 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 6.191 12.099 8.954 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -16.881 -22.023 -4.896 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -17.141 -21.133 -4.636 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -17.061 -22.053 -5.836 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 16.260 8.022 6.870 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 16.090 8.672 7.560 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 15.490 7.462 6.880 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 -25.047 20.590 -14.331 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 -24.147 20.680 -14.641 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 -25.557 20.470 -15.131 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -4.206 23.155 5.618 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -4.486 23.945 5.158 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -4.876 23.005 6.278 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 -22.227 -20.809 18.072 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 -22.657 -20.439 18.842 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 -22.857 -20.689 17.362 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 -4.999 -11.737 -11.308 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 -5.179 -11.967 -10.398 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 -4.879 -10.787 -11.298 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 24.454 -16.022 19.728 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 25.364 -15.832 19.938 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 24.434 -16.962 19.558 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 13.264 -22.531 -13.105 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 13.564 -21.741 -13.555 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 13.124 -22.251 -12.205 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 14.460 -24.369 -3.284 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 13.710 -24.929 -3.064 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 14.120 -23.479 -3.234 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 3.663 5.151 8.980 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 4.093 4.401 8.570 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 2.733 4.931 8.970 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 -3.114 -14.766 6.335 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 -3.004 -15.366 5.605 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 -2.334 -14.206 6.325 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 6.575 10.815 14.799 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 5.775 10.615 15.279 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 6.505 11.745 14.579 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 7.548 -15.437 1.095 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 7.598 -15.157 0.175 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 6.788 -14.967 1.445 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 8.245 -19.056 18.086 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 7.745 -19.656 17.526 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 7.605 -18.746 18.726 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 -4.649 -0.769 -21.803 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 -5.089 0.021 -22.133 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 -4.659 -1.379 -22.543 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 -19.765 17.171 23.094 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 -19.835 17.441 24.004 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 -18.835 17.231 22.894 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -3.215 -4.389 24.569 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -2.715 -3.709 25.029 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -2.635 -4.679 23.869 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 15.290 8.816 -22.649 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 15.390 8.266 -23.429 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 16.120 9.306 -22.599 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 -0.395 24.990 -11.574 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 -1.025 24.550 -11.014 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 0.225 24.310 -11.834 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 22.594 22.588 0.659 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 23.404 22.868 1.079 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 21.924 23.178 1.019 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 4.073 21.424 -5.501 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 3.123 21.404 -5.661 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 4.363 22.254 -5.871 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.783 -25.172 9.106 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.003 -24.742 9.446 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.633 -25.202 8.156 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 2.960 0.264 -8.508 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 3.250 1.064 -8.078 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 3.240 0.364 -9.418 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 -9.250 10.087 1.651 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 -9.550 9.427 1.021 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 -8.650 10.637 1.151 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 -5.066 -14.861 10.902 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 -5.136 -14.461 10.032 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 -4.136 -14.811 11.112 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.747 -14.029 -13.745 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 1.207 -13.359 -13.225 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.297 -13.519 -14.415 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 14.291 11.381 -23.639 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 14.481 10.621 -23.079 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 13.391 11.241 -23.929 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 -7.410 -0.352 22.507 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 -6.670 -0.732 22.037 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 -7.720 0.348 21.927 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -22.397 22.357 -19.105 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -21.567 22.087 -18.715 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -22.337 23.307 -19.185 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 7.686 2.217 12.245 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 6.736 2.117 12.325 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 8.006 1.317 12.165 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -19.869 -11.135 -2.331 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -19.679 -10.785 -1.471 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -19.019 -11.165 -2.781 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 5.934 8.722 -8.714 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 6.024 9.142 -9.564 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 5.264 8.042 -8.844 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -20.406 20.216 22.565 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -20.536 19.306 22.315 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -19.896 20.596 21.855 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -21.946 19.497 -22.721 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -22.596 19.537 -22.021 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -21.826 20.397 -23.001 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -5.939 -14.135 5.309 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -5.549 -14.085 6.179 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -5.199 -14.255 4.719 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 5.321 24.097 5.516 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 6.061 24.157 4.916 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 4.761 24.847 5.276 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 7.698 14.082 -12.366 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 8.628 13.902 -12.216 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 7.658 14.372 -13.276 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -5.975 -9.250 -8.205 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -6.705 -9.770 -7.875 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -5.795 -8.620 -7.495 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.707 -18.797 14.370 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.997 -18.517 14.950 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.277 -18.937 13.520 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -24.947 12.728 -1.911 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -25.017 12.968 -0.981 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -25.687 13.158 -2.321 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 0.105 5.820 17.866 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -0.365 6.340 17.206 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -0.585 5.320 18.306 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 4.485 -2.149 -8.139 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 3.855 -1.479 -8.399 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 4.325 -2.869 -8.749 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 7.480 4.064 22.990 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 6.650 4.174 22.540 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 7.250 3.664 23.830 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 11.030 22.172 -10.690 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 10.800 22.762 -9.970 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 11.270 21.352 -10.270 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -21.397 -20.640 3.402 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -20.847 -20.050 2.892 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -21.957 -20.060 3.922 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 -24.999 -16.365 23.622 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 -25.329 -15.485 23.802 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 -24.149 -16.395 24.062 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -15.650 -15.159 -15.830 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 -15.420 -16.089 -15.950 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 -15.500 -14.999 -14.890 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -23.236 -19.357 13.826 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -22.416 -19.317 13.326 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -23.916 -19.197 13.176 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 6.111 14.403 -5.769 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 6.721 13.733 -6.079 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 6.471 15.223 -6.099 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -12.143 -6.771 -17.636 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -12.603 -6.811 -18.476 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -11.233 -6.961 -17.866 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -12.652 -22.096 -7.605 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -13.202 -22.636 -8.165 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -11.772 -22.166 -7.985 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 3.568 -12.881 -17.632 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 3.448 -12.581 -18.532 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 4.008 -12.151 -17.192 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -11.950 3.512 -22.542 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -11.510 4.262 -22.932 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -12.040 3.742 -21.612 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 -0.196 17.944 2.216 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 0.204 18.444 1.516 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 0.544 17.574 2.696 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 3.461 5.251 -0.945 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 4.141 4.581 -0.945 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 3.911 6.051 -1.205 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 8.121 12.509 -19.361 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 8.441 12.129 -18.541 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 8.671 12.119 -20.041 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 17.249 -14.403 16.476 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 18.069 -14.723 16.846 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 17.279 -13.453 16.616 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 -2.624 -4.123 -0.173 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 -2.794 -3.403 0.447 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 -2.384 -3.673 -0.983 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 25.419 -0.751 -23.298 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 25.279 -0.031 -23.908 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 25.029 -0.451 -22.478 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -20.163 -5.430 -16.131 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -19.933 -5.690 -15.231 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -19.933 -4.510 -16.181 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 -6.507 13.799 -23.706 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 -7.327 14.149 -24.056 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 -6.787 13.209 -22.996 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.374 -21.291 -6.336 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.524 -22.221 -6.146 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 21.794 -21.001 -5.626 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 -4.233 -12.089 8.358 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 -3.863 -11.789 7.528 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 -4.963 -12.659 8.108 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 24.771 18.344 16.809 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 25.721 18.494 16.789 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 24.662 17.494 16.379 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 1.625 -22.133 -18.511 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 1.545 -21.993 -17.561 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 2.125 -22.953 -18.581 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -6.277 0.251 -17.605 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -6.367 0.671 -16.745 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -6.777 0.821 -18.195 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -24.444 10.526 -17.004 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -24.364 11.396 -17.374 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -23.684 10.416 -16.444 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 21.777 2.399 -5.473 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 22.367 3.159 -5.493 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 21.727 2.119 -6.383 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -24.715 17.781 8.061 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -24.825 17.701 9.011 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -23.795 18.031 7.961 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -14.003 -4.209 -19.051 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -14.463 -4.719 -18.391 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -13.093 -4.199 -18.751 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 1.269 -22.193 12.151 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 1.199 -21.583 11.431 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 1.899 -22.853 11.851 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -8.999 14.463 -24.978 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.329 15.353 -25.038 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -9.779 13.913 -24.928 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 4.366 21.014 19.633 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 3.866 20.294 19.253 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 5.146 21.084 19.083 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 11.937 -2.552 8.129 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 11.457 -1.822 8.519 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 12.237 -3.072 8.879 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -1.682 5.635 -12.445 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -2.172 5.955 -13.205 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -1.622 4.695 -12.585 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 6.554 -22.466 -3.194 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 5.854 -23.106 -3.304 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 6.804 -22.226 -4.084 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -5.137 -5.606 -7.920 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -6.067 -5.806 -8.030 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -5.047 -4.696 -8.230 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 9.808 4.634 7.152 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 8.858 4.774 7.072 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 9.888 3.884 7.742 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 -2.054 17.257 11.372 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 -2.414 18.127 11.172 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 -2.614 16.647 10.902 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 11.995 -20.185 -13.978 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 12.885 -20.235 -14.308 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 11.465 -20.685 -14.608 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 -7.355 -20.530 14.152 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 -7.135 -19.750 13.642 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 -7.905 -20.200 14.862 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -21.943 -17.645 16.237 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -22.053 -18.545 15.947 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -22.643 -17.515 16.887 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 4.026 -8.885 18.037 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 4.826 -9.255 17.667 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 3.326 -9.315 17.547 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -9.157 -1.659 -7.651 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -9.027 -2.199 -8.431 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -10.057 -1.839 -7.381 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 -12.399 -23.917 -24.505 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 -13.229 -23.427 -24.455 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 -12.169 -24.087 -23.595 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -14.409 7.282 -16.121 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -15.289 6.952 -15.961 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -14.459 7.752 -16.951 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 -20.954 -1.651 -2.303 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 -20.564 -1.381 -3.133 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 -21.644 -1.011 -2.143 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 -1.587 4.815 5.240 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 -0.947 4.305 5.750 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 -1.767 5.575 5.780 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 20.907 -12.760 -6.198 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 21.097 -13.650 -5.898 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 21.507 -12.620 -6.928 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 -7.306 -22.161 -18.501 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 -6.536 -21.641 -18.291 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 -7.736 -21.691 -19.211 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 17.736 -16.439 0.765 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 18.216 -16.829 0.025 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 16.906 -16.909 0.785 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 16.366 4.965 2.060 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 17.296 5.135 1.930 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 16.176 5.305 2.940 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 16.358 17.433 -10.564 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 15.448 17.513 -10.274 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 16.368 16.653 -11.114 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.915 16.769 19.620 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 3.615 16.089 19.020 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 4.845 16.569 19.760 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -23.453 3.786 -21.988 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -23.483 3.696 -21.028 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -24.263 4.246 -22.208 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 7.109 -18.149 11.137 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 7.099 -19.109 11.217 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 6.549 -17.969 10.377 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 5.224 24.216 -24.644 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 5.354 24.726 -25.434 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 4.624 24.736 -24.114 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 18.154 23.862 -23.581 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 18.504 22.982 -23.451 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 17.724 23.832 -24.431 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.610 -0.852 1.379 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -16.960 -0.252 0.729 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -15.690 -0.942 1.149 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 20.321 10.558 -10.650 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.841 10.748 -11.460 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 21.121 11.078 -10.720 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 11.348 14.593 -8.869 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 12.158 14.613 -9.369 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 11.628 14.553 -7.959 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 24.857 -20.193 -4.709 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 24.557 -21.003 -4.299 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 25.087 -20.453 -5.599 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 16.285 -6.850 -6.611 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 17.115 -6.440 -6.341 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 16.395 -7.780 -6.381 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -1.114 -22.649 -4.760 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -0.644 -21.839 -4.960 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -0.744 -23.299 -5.360 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 -1.185 -2.986 -10.670 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 -0.285 -3.176 -10.920 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 -1.645 -3.816 -10.750 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 10.800 6.437 17.842 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 11.530 6.757 18.362 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 11.000 6.707 16.952 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 21.465 13.803 7.882 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 20.595 13.493 8.112 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 21.345 14.253 7.052 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -24.670 -5.450 -2.830 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -24.930 -4.790 -2.180 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -25.300 -6.170 -2.700 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 10.459 12.353 -10.688 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 10.089 12.043 -9.858 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 11.289 12.763 -10.438 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 23.838 24.784 9.924 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 23.598 24.074 9.334 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 24.738 25.004 9.694 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.016 -21.617 -20.699 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.656 -20.987 -20.369 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 17.406 -21.967 -21.499 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 3.142 -13.669 -6.164 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 2.973 -14.239 -5.414 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 3.063 -12.779 -5.814 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 2.973 17.602 -2.367 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 3.003 17.912 -3.267 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 3.843 17.802 -2.017 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -1.070 9.482 11.019 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -1.330 10.202 11.589 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -0.800 9.892 10.209 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -8.634 -1.732 -11.305 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -7.904 -2.262 -10.985 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -8.224 -0.912 -11.595 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -24.793 -21.604 -22.828 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -25.363 -21.274 -23.528 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -24.973 -21.034 -22.078 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 21.403 24.352 23.913 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 20.663 23.812 24.193 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 21.003 25.052 23.403 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 -15.369 -10.095 2.262 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 -14.819 -9.375 1.962 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 -14.769 -10.835 2.372 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 -17.305 22.568 8.712 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 -16.665 22.538 8.012 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 -17.515 21.658 8.892 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 -21.781 -14.505 22.091 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 -20.851 -14.735 22.191 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 -22.161 -14.675 22.951 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 -2.351 -17.828 -17.592 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 -2.171 -18.028 -18.512 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -3.301 -17.688 -17.562 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -13.315 -14.593 -12.226 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -13.285 -14.473 -13.176 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -12.835 -13.833 -11.886 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -9.807 3.114 18.537 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -9.857 2.214 18.857 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -9.537 3.634 19.297 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 5.795 -9.959 16.165 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 5.185 -10.319 15.525 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 6.645 -9.969 15.725 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 18.524 13.341 -21.465 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 19.174 13.991 -21.715 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 18.364 13.511 -20.535 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 -17.956 2.111 -17.743 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 -17.566 1.311 -18.103 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 -17.516 2.821 -18.213 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 -5.906 17.206 23.313 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 -6.346 16.526 22.803 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 -5.146 17.446 22.783 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -7.497 21.477 -9.862 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -8.357 21.877 -9.792 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -7.288 21.487 -10.792 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -8.715 24.392 16.996 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.085 25.082 17.156 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 24.822 17.056 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 10.346 25.132 19.462 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 10.876 25.872 19.772 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 10.336 24.522 20.202 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 18.810 0.762 -11.250 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 19.570 1.162 -11.660 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 18.260 0.482 -11.980 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 -11.446 -21.528 24.821 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 -10.556 -21.378 25.121 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 -11.556 -22.478 24.821 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -19.690 -2.156 -17.445 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -20.120 -2.996 -17.615 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -19.830 -2.006 -16.515 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 7.256 -8.610 -16.505 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 7.416 -8.860 -15.595 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 8.096 -8.770 -16.945 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 -0.070 21.583 10.319 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 -0.800 21.493 10.929 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 -0.450 21.373 9.459 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 23.773 -23.462 0.182 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 23.173 -23.742 -0.508 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 23.343 -22.712 0.592 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -0.629 17.295 -14.232 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -0.989 16.885 -13.452 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -1.009 18.175 -14.242 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -0.295 -7.430 -6.305 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -0.175 -7.940 -7.105 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 0.575 -7.060 -6.125 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 23.386 10.751 -4.365 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 22.516 10.351 -4.285 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 23.896 10.331 -3.675 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 -24.796 9.863 -10.139 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 -25.616 9.923 -9.649 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 -24.676 8.923 -10.289 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 -24.479 -16.721 -5.590 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 -23.559 -16.481 -5.460 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 -24.449 -17.581 -6.010 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -25.151 6.789 -18.359 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -24.251 6.519 -18.509 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -25.251 7.599 -18.859 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 4.308 2.403 10.134 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 4.128 1.803 10.854 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 4.188 3.273 10.504 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 15.903 -24.289 10.815 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 15.033 -24.669 10.975 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 15.723 -23.389 10.535 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -18.443 -21.749 22.592 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -18.203 -22.669 22.682 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -17.973 -21.309 23.302 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 -0.993 25.257 16.635 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 -1.233 24.777 17.435 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 -1.683 25.027 16.015 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 8.680 23.381 -0.738 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 9.500 23.621 -1.158 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 8.490 24.101 -0.138 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -12.407 1.550 -9.499 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -12.987 2.120 -10.009 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -12.927 1.280 -8.749 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -14.026 25.455 8.442 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -13.176 25.215 8.802 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -14.196 24.805 7.762 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 -15.562 5.947 3.346 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 -16.002 5.837 2.496 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 -15.442 5.047 3.656 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 -7.095 2.610 -18.951 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 -7.615 2.970 -19.681 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 -7.455 3.030 -18.171 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -0.885 -1.515 13.921 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -0.175 -1.005 14.301 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -1.515 -0.855 13.621 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 16.510 -15.816 7.729 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 16.020 -15.266 8.349 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 17.420 -15.556 7.849 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 -18.842 12.685 19.556 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 -19.592 12.945 19.006 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 -18.652 13.465 20.076 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 5.630 11.195 4.716 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 5.560 10.295 4.396 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 6.180 11.135 5.496 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 -12.855 -24.160 -16.055 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 -13.005 -25.090 -15.925 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 -12.235 -24.110 -16.775 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 13.393 11.675 4.315 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 12.603 12.055 3.925 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 13.173 11.545 5.235 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 25.204 1.124 -15.530 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 24.424 0.744 -15.950 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 25.394 0.534 -14.800 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 16.197 13.892 -8.670 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 17.147 13.892 -8.840 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 15.987 12.982 -8.490 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 0.596 1.233 4.499 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 0.486 1.993 3.939 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -0.204 1.203 5.029 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 9.114 12.050 -4.424 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 9.224 12.870 -3.944 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.854 12.320 -5.304 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -18.084 17.450 -16.026 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -17.724 17.710 -15.186 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -17.364 17.010 -16.466 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 -12.545 20.504 8.751 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 -12.415 21.424 8.991 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 -11.965 20.354 8.011 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 23.563 17.206 9.762 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 23.383 18.036 9.332 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 22.733 16.736 9.752 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -6.740 20.701 1.205 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -7.300 21.121 0.545 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -6.640 21.371 1.885 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 23.346 1.962 -11.049 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 23.166 1.832 -10.119 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 22.576 1.602 -11.499 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 -10.222 -14.917 12.743 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 -11.172 -14.857 12.573 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 -10.062 -14.277 13.433 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 -23.899 4.299 -3.361 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 -23.829 5.129 -3.831 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 -24.399 3.729 -3.941 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 23.571 14.639 -8.304 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 22.751 14.569 -7.824 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 23.531 15.499 -8.724 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 -1.957 12.312 -4.941 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 -1.317 13.002 -5.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 -2.617 12.392 -5.631 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 23.291 -7.800 2.025 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 23.121 -6.890 2.265 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 24.241 -7.890 2.085 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 -15.003 -16.174 -10.105 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 -15.693 -15.524 -10.195 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 -14.493 -16.094 -10.915 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 -9.134 -12.212 -22.295 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 -9.174 -12.972 -21.715 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 -8.574 -11.582 -21.845 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 2.750 -10.335 -13.961 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 2.140 -9.985 -14.621 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 2.400 -10.015 -13.131 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 6.277 -6.792 -24.335 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 7.077 -7.182 -23.975 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 6.537 -5.912 -24.605 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 20.539 2.652 -15.221 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 21.439 2.992 -15.151 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 20.559 2.082 -15.981 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 14.505 17.702 6.993 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 14.485 18.642 6.833 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 14.905 17.612 7.863 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 -1.723 -3.998 13.392 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 -0.783 -4.168 13.492 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 -1.793 -3.048 13.292 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 20.927 -1.972 -0.953 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 19.987 -1.982 -1.083 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 21.237 -1.252 -1.513 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -7.080 23.581 -0.381 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -7.230 24.061 -1.191 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -7.720 23.951 0.229 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 3.737 10.961 20.921 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 4.147 11.651 20.391 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 3.457 10.301 20.291 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 13.677 -1.518 -23.291 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 13.357 -1.928 -24.101 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 13.257 -2.008 -22.591 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 9.838 9.163 -15.963 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 9.988 10.093 -15.773 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 10.688 8.753 -15.813 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.529 -9.423 25.152 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 23.989 -10.193 25.492 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 24.139 -9.043 24.522 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 23.777 -5.865 -7.132 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 23.477 -6.455 -7.822 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 24.027 -6.445 -6.412 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 16.524 7.002 20.600 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 15.764 6.672 20.130 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 16.194 7.752 21.100 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 17.687 -12.351 2.125 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 18.457 -12.901 1.965 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 17.887 -11.531 1.685 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 16.574 7.129 10.550 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 16.734 7.709 9.800 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 17.284 6.489 10.520 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -9.846 -11.852 -17.564 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -9.496 -11.312 -18.274 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -9.326 -11.602 -16.804 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 -4.011 5.178 21.589 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 -4.891 5.058 21.239 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 -3.451 5.258 20.819 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 13.247 0.759 5.666 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 13.877 0.409 5.026 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 12.647 1.299 5.146 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 14.318 -4.685 -13.911 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 14.838 -5.475 -14.041 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 13.838 -4.845 -13.091 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -1.295 -0.903 -13.213 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -1.425 -1.843 -13.123 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -0.715 -0.813 -13.973 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 2.556 14.864 10.219 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 2.496 14.484 11.099 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 3.496 14.854 10.019 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -24.956 -19.792 -12.841 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -25.146 -18.972 -13.281 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -24.916 -19.562 -11.911 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 5.007 -14.504 21.832 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 4.707 -13.744 21.352 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 5.577 -14.974 21.222 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 -5.914 -7.627 -19.718 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 -6.724 -7.277 -20.068 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 -5.344 -7.717 -20.488 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 -7.661 11.762 14.645 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 -7.001 12.382 14.335 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 -7.211 10.922 14.635 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 18.607 15.444 -24.131 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 18.187 15.394 -23.281 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 19.397 14.904 -24.041 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 -0.312 19.136 -20.820 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 0.458 19.186 -21.380 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 -0.382 18.216 -20.580 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 21.959 -13.976 8.329 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 21.449 -13.336 8.829 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 22.639 -13.446 7.899 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 24.374 24.207 19.689 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 24.834 24.097 20.529 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 24.974 23.837 19.039 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 -4.422 5.100 13.472 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 -4.572 4.700 12.622 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 -3.652 5.650 13.352 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -10.179 -22.632 14.161 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -10.229 -23.152 13.361 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -9.669 -21.852 13.911 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 15.040 25.024 -16.118 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 15.020 24.534 -16.938 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 15.880 24.784 -15.718 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 0.828 -1.552 -5.268 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 0.448 -1.432 -4.398 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 1.748 -1.772 -5.098 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -21.634 6.531 24.136 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -21.634 6.721 25.076 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -21.584 5.581 24.086 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 9.998 -4.657 -8.011 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 9.528 -5.477 -7.911 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 10.348 -4.467 -7.141 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -13.173 6.753 -11.408 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -13.983 6.273 -11.248 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -13.073 7.323 -10.648 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -24.500 15.201 5.213 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -23.580 15.361 5.433 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -24.550 15.331 4.273 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 20.783 -11.923 9.966 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 20.543 -12.403 10.756 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 21.613 -11.503 10.176 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 -10.261 -10.436 -14.345 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 -11.111 -10.086 -14.615 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 -9.941 -9.806 -13.705 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 3.379 -10.537 2.392 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 3.149 -10.827 3.282 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.939 -11.177 1.822 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 21.865 6.634 7.541 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 21.505 6.454 6.671 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 22.805 6.484 7.441 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 -21.875 -7.613 9.277 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 -20.995 -7.973 9.217 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 -22.405 -8.343 9.617 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -0.813 1.469 -20.460 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -1.363 2.129 -20.880 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -0.733 0.769 -21.100 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 21.013 -24.078 -3.049 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 20.233 -24.498 -2.689 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 20.993 -24.268 -3.979 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 3.229 -23.489 10.479 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 2.539 -23.079 9.959 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 3.539 -24.209 9.939 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -20.482 17.009 -16.101 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -19.622 16.629 -15.921 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -20.352 17.549 -16.881 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 -5.033 -7.370 17.080 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 -4.453 -7.940 17.580 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 -4.613 -7.310 16.220 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 -23.665 10.851 -3.470 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 -23.765 11.301 -2.630 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 -24.355 11.221 -4.020 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -16.931 -2.245 -13.801 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -16.801 -1.785 -14.631 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -16.581 -1.655 -13.141 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 16.497 3.551 4.893 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 17.327 4.021 4.943 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 16.587 2.841 5.533 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 -23.145 4.636 11.446 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 -23.765 4.766 12.156 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 -23.655 4.226 10.746 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 24.313 13.871 -23.221 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 25.183 14.011 -22.851 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 24.393 14.121 -24.141 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 13.593 -7.552 14.954 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 12.813 -7.422 15.494 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 13.493 -6.942 14.224 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -18.983 -18.649 5.826 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -18.523 -19.219 5.206 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -18.293 -18.309 6.386 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 2.244 19.753 15.217 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 1.354 19.833 14.867 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 2.484 20.643 15.467 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -19.383 -18.150 -19.255 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -20.093 -18.130 -18.615 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -18.953 -18.990 -19.105 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 24.646 9.383 23.005 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 25.116 9.723 22.245 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 25.116 8.573 23.235 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 14.824 -17.279 -0.752 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 15.414 -17.709 -1.362 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 14.314 -16.679 -1.292 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 22.306 -9.771 17.256 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 22.076 -8.951 16.836 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 22.136 -10.441 16.596 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 -3.043 -11.435 -22.765 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 -3.253 -10.645 -23.275 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 -3.853 -11.615 -22.275 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -6.404 -23.363 -23.349 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -7.034 -22.703 -23.609 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -6.714 -23.693 -22.509 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 1.721 18.742 -22.525 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 1.701 17.852 -22.885 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 2.001 19.292 -23.255 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 3.263 5.362 -19.118 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 2.563 5.912 -18.778 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 3.853 5.982 -19.568 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 1.733 -10.574 8.175 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 1.423 -9.694 7.965 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 2.683 -10.524 8.065 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 23.413 -12.216 -3.463 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 24.203 -11.956 -3.943 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 23.423 -11.676 -2.673 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -6.284 -7.623 -16.832 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -6.884 -7.863 -17.532 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -5.594 -8.283 -16.862 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 19.593 15.894 -2.227 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 18.813 16.364 -2.537 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 19.713 16.204 -1.327 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -14.686 -22.520 9.627 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -15.136 -22.710 10.447 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -14.656 -23.360 9.167 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 23.537 -19.751 -10.560 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 24.487 -19.611 -10.540 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 23.267 -19.421 -11.420 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 16.816 8.335 0.180 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 17.346 8.815 -0.460 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 16.776 7.435 -0.160 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -7.695 -6.421 -8.298 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -8.095 -7.201 -7.918 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -8.425 -5.911 -8.638 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 -20.693 24.725 19.882 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 -20.313 24.075 20.472 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 -21.203 25.295 20.452 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 1.057 14.127 -15.407 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 1.887 13.697 -15.187 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 1.207 15.047 -15.177 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 1.666 -16.388 -22.656 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 0.796 -16.228 -23.026 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 2.236 -15.788 -23.136 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.736 17.929 23.122 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.156 17.509 22.492 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -22.196 18.059 23.902 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 13.703 -25.290 -13.549 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 13.913 -25.650 -14.409 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 14.013 -24.390 -13.569 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 21.173 4.425 1.931 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 20.823 3.615 1.551 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 21.323 5.005 1.191 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -22.057 -5.526 22.191 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -22.667 -6.226 21.981 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -22.467 -5.046 22.901 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 24.495 14.855 11.756 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 24.275 15.545 11.126 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 23.645 14.555 12.076 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 5.503 -21.940 -7.429 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 5.043 -21.100 -7.379 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 6.233 -21.780 -8.029 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 -19.404 -10.517 20.731 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 -19.994 -10.127 20.091 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 -18.544 -10.177 20.491 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -4.035 -4.476 -15.675 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -4.355 -4.096 -14.855 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -3.085 -4.486 -15.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -11.724 -22.818 18.530 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -11.804 -22.458 17.640 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -11.704 -23.768 18.400 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 15.441 -7.335 -13.304 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 16.311 -7.115 -12.964 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 15.371 -8.285 -13.184 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 -15.123 3.197 3.917 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 -15.833 2.607 4.187 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 -14.653 2.717 3.227 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -0.040 8.202 13.659 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -0.080 8.622 12.799 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 0.200 8.902 14.269 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -19.285 -9.548 16.075 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.225 -8.728 16.575 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -18.575 -10.088 16.425 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 -9.793 20.363 0.433 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 -9.823 20.223 -0.517 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 -10.273 19.613 0.803 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 -1.432 6.885 -16.741 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 -2.082 7.565 -16.901 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 -1.952 6.125 -16.451 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -19.896 11.981 -15.815 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -19.386 12.651 -16.275 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -19.246 11.401 -15.425 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 -15.802 18.149 1.112 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 -15.632 17.969 0.192 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 -16.112 17.319 1.462 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 -13.473 2.353 1.202 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 -12.853 2.773 1.802 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 -12.973 2.203 0.402 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -18.081 6.321 -24.951 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -18.541 5.501 -24.751 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -17.921 6.281 -25.901 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 6.350 19.571 -9.880 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 6.780 19.811 -9.060 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 6.720 20.171 -10.530 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 -17.110 17.586 22.842 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 -16.280 17.836 22.432 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 -17.130 18.056 23.672 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 -15.939 8.685 15.797 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 -15.829 9.245 15.027 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 -16.289 7.865 15.447 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 7.845 -15.395 22.189 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 8.235 -16.155 22.609 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 6.905 -15.495 22.339 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 8.280 -24.026 -14.970 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 8.680 -24.886 -14.950 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 8.790 -23.536 -15.610 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 -21.299 13.095 -12.730 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 -21.269 14.035 -12.920 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 -20.519 12.735 -13.150 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -9.585 -20.449 -5.756 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -9.435 -21.239 -5.236 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -9.575 -19.739 -5.116 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 4.607 -17.881 3.962 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 4.787 -18.691 3.492 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 5.397 -17.721 4.482 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -13.930 12.100 -14.039 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -13.110 12.590 -14.059 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -14.280 12.260 -13.159 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -22.116 16.859 12.589 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -21.446 16.999 11.919 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -22.916 16.679 12.089 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 5.007 15.046 4.229 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 4.827 14.486 4.989 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 4.227 15.586 4.149 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 11.126 -8.668 -15.029 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 11.496 -8.058 -14.399 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 11.586 -9.488 -14.859 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -16.406 24.474 15.826 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -15.796 23.874 16.266 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -17.236 24.364 16.296 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 23.191 -14.340 3.957 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 22.471 -14.550 4.537 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 23.901 -14.930 4.217 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 14.747 -3.785 -21.378 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 15.287 -3.575 -22.138 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 15.377 -4.075 -20.718 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 1.908 9.665 -15.051 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 1.408 8.845 -15.081 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 2.818 9.395 -15.091 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 10.014 -16.542 19.651 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 9.674 -17.002 18.881 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 10.654 -15.922 19.301 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 12.790 21.506 -19.024 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 12.990 21.576 -18.094 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 13.020 20.606 -19.254 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 15.254 -3.239 -2.909 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 14.364 -3.089 -3.219 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 15.244 -4.129 -2.569 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 17.958 15.480 6.533 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 18.848 15.820 6.553 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 17.778 15.210 7.443 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -14.811 17.849 21.444 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -13.881 17.779 21.674 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -14.921 17.229 20.724 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 23.730 17.154 5.849 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 23.150 16.854 6.549 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 24.590 16.804 6.079 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 9.644 12.843 14.857 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 10.034 12.283 15.527 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 10.394 13.133 14.327 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 8.228 -5.088 -14.405 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 7.748 -4.268 -14.505 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 7.578 -5.768 -14.545 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.527 -0.340 -24.998 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 20.157 -0.020 -24.168 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.367 0.120 -25.068 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 9.764 -17.984 -23.994 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 10.624 -17.834 -24.384 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 9.894 -18.734 -23.414 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 11.701 -13.189 -21.068 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 12.541 -13.259 -20.628 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 11.461 -12.269 -20.988 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 -9.732 5.535 -23.042 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 -9.972 6.375 -23.412 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 -9.782 5.665 -22.092 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 -10.247 -15.738 -4.909 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -11.137 -15.538 -5.219 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 -9.877 -16.318 -5.579 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 18.995 22.535 0.060 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 19.415 23.385 0.190 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 19.205 22.295 -0.850 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 -25.032 -12.975 4.640 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 -25.102 -12.705 5.560 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 -24.982 -13.925 4.670 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 9.355 19.817 -3.931 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 9.215 20.047 -3.011 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 10.195 20.227 -4.151 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 -10.002 -5.048 -9.565 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 -10.892 -5.008 -9.205 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 -10.122 -5.298 -10.475 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 13.969 -20.497 20.325 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 13.599 -20.397 21.205 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 14.689 -19.857 20.295 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 6.044 -12.873 17.076 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 6.684 -12.913 16.366 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 5.644 -12.013 16.996 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 20.094 -1.452 8.230 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 19.944 -2.392 8.120 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 20.854 -1.402 8.820 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 18.567 12.794 -15.718 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 17.787 12.264 -15.598 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 18.237 13.624 -16.058 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 2.880 -19.473 16.034 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 2.740 -19.813 16.914 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 2.300 -20.003 15.474 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 -20.191 -12.774 -4.691 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 -20.121 -11.824 -4.571 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 -19.501 -12.984 -5.321 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 19.083 -5.051 2.659 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 18.503 -4.401 3.059 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 19.303 -5.651 3.369 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 7.665 24.507 2.591 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 7.805 24.937 3.431 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 8.235 24.967 1.981 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 17.841 0.428 14.016 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 17.961 -0.332 13.446 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 18.701 0.858 14.026 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -4.020 -17.261 -2.226 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -3.190 -17.071 -1.796 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -4.060 -16.651 -2.956 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 -21.604 6.004 -23.430 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 -22.034 5.194 -23.150 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -20.754 5.994 -22.990 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 -12.056 -3.902 6.635 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 -11.206 -4.142 7.005 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 -12.306 -4.652 6.085 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 2.308 3.483 4.913 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 1.858 3.993 4.243 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 2.398 2.613 4.533 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -16.944 -21.426 8.189 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -17.084 -22.136 7.549 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -16.604 -21.876 8.969 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -19.732 12.054 7.172 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -19.422 12.364 8.022 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -20.322 11.334 7.372 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -8.212 -1.353 19.623 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -9.062 -1.293 20.063 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -7.892 -2.233 19.823 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 6.174 21.320 16.999 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 5.504 20.670 17.209 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 5.774 21.860 16.319 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 -0.173 1.849 -8.109 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 -0.683 1.769 -8.919 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 0.277 1.009 -8.029 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 7.934 -16.545 16.442 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 8.634 -15.995 16.792 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 8.264 -17.435 16.552 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 15.306 11.414 18.005 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 15.236 12.314 17.705 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 15.296 10.894 17.205 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 1.010 14.546 20.546 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 1.500 14.886 19.796 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 0.220 14.166 20.166 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 -8.694 -5.822 -14.035 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 -8.394 -6.402 -13.345 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 -7.894 -5.602 -14.525 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 6.026 -3.631 16.265 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 5.186 -3.771 15.825 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 5.786 -3.171 17.075 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -23.383 24.826 16.572 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -22.943 25.546 17.012 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -23.273 24.076 17.162 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 0.627 21.018 -10.724 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 0.127 20.218 -10.534 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 1.017 20.858 -11.584 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 -2.507 7.980 -2.974 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 -2.847 8.720 -2.464 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 -2.077 8.380 -3.724 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 1.011 -11.660 -11.685 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 0.581 -11.390 -10.875 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 1.921 -11.410 -11.575 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 6.294 8.482 18.552 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 5.424 8.412 18.952 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 6.814 7.802 18.982 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 19.084 6.201 16.346 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 19.384 5.311 16.516 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 18.804 6.521 17.206 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 19.689 -22.751 -23.210 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 20.489 -23.201 -23.470 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 18.989 -23.241 -23.640 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 -15.165 -10.161 6.236 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 -14.405 -10.381 6.776 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 -15.155 -10.801 5.526 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 24.025 0.537 -4.606 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 23.495 -0.183 -4.956 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 23.395 1.227 -4.416 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -11.444 18.589 2.305 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.254 19.109 2.305 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.284 18.399 3.235 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 17.236 -20.009 -0.155 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 17.286 -20.279 -1.065 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 17.886 -19.319 -0.065 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 9.303 -1.115 -9.033 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 9.773 -1.805 -9.493 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 9.823 -0.965 -8.233 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 -22.754 -23.697 18.636 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 -22.924 -22.837 18.236 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 -21.844 -23.657 18.906 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 -12.835 4.284 18.179 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 -11.995 4.654 17.899 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 -12.695 4.024 19.089 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 23.029 -19.495 16.533 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 23.069 -20.405 16.223 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 23.549 -19.495 17.333 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 -17.197 -3.937 11.072 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 -17.577 -3.857 11.952 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 -17.877 -4.387 10.562 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -10.662 9.902 13.320 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -10.142 9.192 13.700 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -10.312 10.702 13.730 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -9.695 -16.486 0.470 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -9.185 -17.286 0.280 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -9.795 -16.066 -0.380 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 23.724 17.238 -9.733 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 23.944 17.698 -10.533 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 22.984 17.738 -9.373 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 3.047 8.959 7.139 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 3.807 9.399 6.759 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 2.457 9.659 7.399 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 -1.626 10.900 4.700 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 -2.126 10.590 3.940 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 -1.706 10.190 5.330 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 3.419 -0.219 2.159 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 2.899 0.371 1.629 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 2.799 -0.609 2.769 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 1.404 -17.479 24.752 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 1.764 -16.619 24.522 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 0.454 -17.359 24.682 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -19.163 0.828 17.622 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -18.373 0.298 17.652 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -18.873 1.708 17.862 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 17.944 1.354 -16.695 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 17.874 1.934 -17.455 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 17.164 1.554 -16.175 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 -0.061 -15.021 5.710 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 0.039 -14.421 4.970 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 0.769 -15.511 5.730 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 -1.514 -7.976 -8.931 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 -2.454 -7.896 -9.101 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 -1.144 -7.146 -9.211 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 23.374 14.460 -1.685 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 23.104 14.770 -0.815 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 23.194 15.200 -2.265 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 0.867 23.156 15.337 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 0.647 24.086 15.267 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 0.037 22.736 15.547 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -12.309 -22.671 3.886 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.479 -23.111 4.056 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.089 -21.741 3.856 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 -16.964 0.655 -13.315 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 -16.144 1.105 -13.105 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 -17.404 1.235 -13.935 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 -8.131 15.616 -21.719 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 -8.311 16.446 -21.269 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 -7.281 15.736 -22.119 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 10.248 -23.980 5.835 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 9.408 -23.590 5.565 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 10.118 -24.230 6.745 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 -4.722 -0.086 3.118 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 -4.662 -0.796 2.478 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 -5.402 0.484 2.778 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 18.120 -9.201 16.155 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 18.360 -9.891 16.775 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 17.380 -8.761 16.575 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 14.198 -2.081 -6.749 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 13.998 -1.681 -7.589 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 13.398 -1.971 -6.229 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 -7.013 22.271 4.611 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 -6.083 22.331 4.821 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 -7.123 21.381 4.281 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 -5.587 1.623 0.900 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 -6.007 2.323 1.400 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 -6.107 1.573 0.090 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 7.021 -1.317 24.537 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 6.801 -0.577 25.107 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 7.411 -1.967 25.117 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 0.129 10.932 17.419 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 0.649 10.332 16.879 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 -0.641 11.122 16.889 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 19.988 12.705 23.225 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 19.388 12.065 23.605 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 20.538 12.995 23.955 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 -21.843 -23.033 13.256 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 -22.593 -22.473 13.446 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 -21.323 -22.533 12.626 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 -7.140 2.206 -11.194 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 -6.800 2.956 -10.714 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 -8.030 2.456 -11.434 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 7.724 7.644 -2.472 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 8.444 8.234 -2.252 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 7.364 7.984 -3.292 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 6.406 -10.809 -24.566 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 5.606 -10.869 -24.046 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 6.236 -10.099 -25.176 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 -0.171 -19.497 -16.673 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 -0.711 -18.737 -16.883 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 -0.491 -20.197 -17.243 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 9.987 0.810 7.276 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 10.487 0.030 7.506 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 10.137 1.410 8.006 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 -7.650 23.666 -24.829 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 -7.020 23.266 -25.429 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 -8.400 23.896 -25.379 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 -7.060 -0.820 1.779 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 -7.470 -1.640 1.499 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 -6.770 -0.410 0.959 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 2.347 -14.379 24.857 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 2.307 -14.349 23.897 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 2.257 -13.469 25.127 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 4.651 13.987 12.686 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 5.171 13.817 13.466 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 3.941 13.347 12.726 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 -0.297 4.273 -6.698 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 -0.177 3.513 -7.258 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 0.593 4.503 -6.408 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 -15.059 -24.464 -6.697 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 -14.299 -24.194 -6.177 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 -15.809 -24.044 -6.267 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 18.576 21.490 24.707 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 19.336 21.250 24.177 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 18.356 20.680 25.187 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 1.145 -20.875 14.885 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 1.185 -21.155 13.965 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 0.265 -21.125 15.165 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 4.593 -16.632 -15.906 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 4.033 -16.772 -16.676 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 4.403 -15.742 -15.636 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 -7.179 24.155 -11.339 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 -7.209 25.105 -11.439 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 -8.049 23.915 -11.019 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 8.510 9.904 -11.135 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 7.810 10.304 -11.645 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 8.360 8.964 -11.225 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 7.086 19.814 -1.087 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 6.306 20.324 -1.337 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 7.186 19.984 -0.147 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 9.481 3.276 0.632 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 9.031 4.076 0.352 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 10.101 3.576 1.302 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 -9.177 -4.516 -6.545 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 -8.767 -3.796 -6.055 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 -8.447 -5.056 -6.835 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -3.115 17.574 -1.287 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -2.195 17.324 -1.207 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -3.505 17.354 -0.437 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -0.134 -17.194 -13.373 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -0.464 -16.844 -12.553 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 0.416 -16.494 -13.733 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 9.625 -17.869 5.051 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 10.395 -17.869 5.621 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 9.755 -18.629 4.481 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 -15.407 6.385 -10.119 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 -15.837 6.885 -9.419 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 -15.937 5.585 -10.189 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -14.565 0.190 -0.178 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -13.625 0.240 -0.318 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -14.915 0.970 -0.608 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 -0.254 11.901 14.492 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 -0.234 12.481 13.732 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 0.666 11.831 14.762 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 3.611 -16.358 -4.361 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 4.401 -15.948 -4.011 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 3.881 -16.748 -5.191 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 2.370 -19.535 11.640 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 2.490 -19.235 12.540 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.220 -19.905 11.390 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -14.963 16.657 -14.725 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -14.493 16.797 -13.905 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -14.503 15.917 -15.135 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -21.139 -21.626 10.733 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -21.159 -20.686 10.883 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -21.479 -21.736 9.843 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 24.310 -5.235 21.559 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 24.770 -4.425 21.749 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 23.450 -5.125 21.959 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -6.426 13.945 12.879 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -5.956 14.595 13.409 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -5.786 13.255 12.709 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 1.821 -22.928 -2.439 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 1.331 -22.108 -2.289 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 1.481 -23.538 -1.789 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -7.375 -17.800 24.481 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -7.945 -18.310 25.061 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -7.365 -16.930 24.861 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 23.424 2.800 -3.261 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 22.694 2.340 -2.861 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 23.954 3.100 -2.521 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 -13.881 11.461 24.057 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 -13.891 10.541 24.327 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 -14.621 11.541 23.447 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -13.356 -11.887 23.986 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -14.296 -11.967 23.816 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -12.966 -12.607 23.496 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 13.784 3.885 -6.578 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 14.064 3.075 -7.008 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 13.954 4.575 -7.228 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -17.932 -11.337 1.612 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -18.392 -11.237 2.442 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -17.112 -10.877 1.732 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 2.636 16.561 13.902 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 2.636 17.011 13.062 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 3.466 16.801 14.312 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 11.177 -13.900 24.769 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 10.807 -14.160 23.919 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 11.667 -13.100 24.579 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 2.473 -5.819 -20.521 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.683 -6.419 -21.231 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 2.073 -5.069 -20.951 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 0.984 2.509 -24.891 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 1.284 1.759 -24.381 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 1.474 3.249 -24.531 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 4.534 -10.902 7.801 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 4.324 -11.752 8.181 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 5.334 -10.632 8.231 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -19.954 -22.959 17.446 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -20.524 -22.189 17.516 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -19.124 -22.679 17.826 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -24.422 5.371 15.326 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -24.852 6.041 14.796 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -24.402 4.601 14.766 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -25.376 6.585 9.576 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -25.176 5.715 9.236 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -24.526 6.935 9.856 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 4.198 3.599 -24.331 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 4.238 3.569 -25.291 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 4.558 4.459 -24.101 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 3.554 -20.838 -24.219 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 3.684 -21.778 -24.299 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 2.704 -20.678 -24.629 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 17.805 16.542 12.853 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 18.005 15.622 12.703 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 18.655 16.972 12.893 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 18.638 -8.741 23.162 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 19.238 -8.921 22.432 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 17.998 -8.121 22.802 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 17.585 -23.416 17.422 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 17.515 -24.216 16.902 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 16.695 -23.076 17.472 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -12.696 1.390 17.259 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -12.166 1.690 16.519 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -13.346 2.090 17.389 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 19.888 -12.730 -11.895 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 19.698 -12.750 -10.955 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 20.128 -13.630 -12.105 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 17.353 18.749 -2.975 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 17.543 19.369 -3.685 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 17.593 19.209 -2.175 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 -8.950 21.222 -2.098 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 -9.140 22.082 -2.468 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 -7.990 21.172 -2.058 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 17.976 -23.759 8.405 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 18.406 -23.809 9.255 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 17.976 -22.829 8.195 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 19.645 -21.898 15.865 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 18.915 -22.058 15.275 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 19.745 -22.718 16.355 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 -11.680 -17.162 23.307 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 -11.850 -17.822 22.637 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 -11.330 -17.662 24.047 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 -23.462 15.133 -24.128 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 -24.282 15.583 -23.918 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 -23.052 15.663 -24.808 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 6.197 15.458 20.082 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 6.997 15.328 19.582 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 6.327 14.958 20.882 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -6.043 -14.458 8.146 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -5.303 -14.938 7.756 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -6.783 -14.668 7.586 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -12.009 -24.667 10.302 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -12.679 -24.557 10.972 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -11.299 -24.097 10.572 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -15.751 11.471 22.136 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -16.381 11.681 21.446 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -15.051 12.121 22.036 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -20.731 -5.656 -9.368 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -21.581 -5.606 -9.808 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -20.931 -5.486 -8.438 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 -18.726 -9.005 13.521 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 -18.906 -9.875 13.141 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 -18.676 -9.165 14.461 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -7.223 -0.845 9.314 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -7.563 -1.195 8.484 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -7.943 -0.345 9.674 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -17.471 23.438 4.294 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -16.661 23.188 3.864 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -17.281 24.288 4.684 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -19.913 -13.080 -8.514 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -19.523 -13.720 -7.904 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -20.803 -13.410 -8.654 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 -10.045 4.542 24.363 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 -10.465 3.702 24.543 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 -9.665 4.812 25.203 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 1.198 13.484 5.151 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 0.298 13.494 5.471 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 1.148 13.874 4.281 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 15.960 -0.389 -18.558 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 15.610 0.401 -18.968 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 16.750 -0.099 -18.098 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.725 21.286 -16.851 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 16.975 20.426 -16.541 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.765 21.846 -16.071 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -22.887 -23.805 -2.061 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -23.807 -23.865 -2.331 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -22.557 -23.025 -2.491 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 23.805 7.511 -9.410 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 23.915 6.571 -9.580 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 23.705 7.901 -10.280 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -11.709 -9.493 -22.065 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -11.179 -8.693 -22.115 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -11.159 -10.153 -22.485 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 -6.769 -17.272 2.035 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 -7.679 -17.122 2.285 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 -6.609 -18.192 2.235 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -17.530 -15.319 -9.702 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -18.330 -15.789 -9.902 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -17.810 -14.549 -9.222 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 -10.767 -10.215 18.239 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 -10.337 -9.415 18.539 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 -10.097 -10.895 18.289 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 -12.542 19.030 -24.483 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 -13.022 18.630 -25.203 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 -12.082 19.780 -24.873 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -18.551 11.614 22.199 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -18.541 10.654 22.209 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -18.151 11.854 21.359 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -17.135 -22.058 -15.613 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -17.495 -21.988 -16.503 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -16.295 -22.488 -15.733 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 -16.390 3.459 -6.965 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 -17.270 3.379 -6.595 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 -16.210 2.589 -7.305 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 4.073 21.993 -22.691 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 4.793 21.383 -22.531 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 4.493 22.783 -23.021 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 -11.016 24.812 5.822 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 -10.466 25.342 6.392 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 -10.696 23.922 5.942 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 16.708 -18.609 -18.975 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 17.288 -18.439 -18.235 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 15.848 -18.299 -18.675 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 12.636 4.489 20.959 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 12.776 3.549 20.949 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 12.376 4.709 20.069 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 -22.893 9.977 -12.304 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 -22.383 10.757 -12.504 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 -23.673 10.307 -11.854 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 24.570 8.860 -2.639 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 25.460 9.110 -2.889 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 24.650 7.960 -2.319 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 6.463 -6.365 16.386 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 6.113 -5.485 16.476 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 6.533 -6.695 17.286 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 2.085 13.938 24.682 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 1.935 14.708 25.232 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 2.405 14.288 23.852 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 18.603 -12.126 8.545 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 19.483 -12.166 8.935 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 18.373 -13.046 8.395 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 23.971 -12.661 2.056 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 23.781 -13.511 2.446 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 24.441 -12.181 2.746 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 14.478 -10.035 -10.289 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.248 -10.095 -11.219 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.828 -9.425 -9.929 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -15.953 -11.439 -24.271 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -15.383 -12.149 -23.971 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -15.423 -10.649 -24.141 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 8.285 -17.144 -10.369 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 7.575 -17.634 -9.949 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 8.725 -16.694 -9.649 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 -22.292 9.791 20.962 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 -22.092 10.381 21.692 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 -21.432 9.501 20.652 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 -5.562 22.504 -13.908 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 -4.862 22.944 -14.408 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 -5.582 22.974 -13.068 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -15.907 0.423 10.146 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -16.207 -0.447 10.386 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -15.737 0.373 9.206 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 8.015 -17.649 -6.625 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 8.415 -18.219 -7.285 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 8.535 -17.789 -5.835 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -22.023 -14.930 -9.035 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -22.473 -14.800 -8.205 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -21.213 -15.370 -8.805 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 17.295 -25.042 6.052 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 17.565 -24.472 6.762 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 16.335 -24.942 6.022 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 7.437 1.231 19.209 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 6.837 1.851 19.619 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 7.597 1.591 18.339 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -24.813 6.190 -12.214 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -24.173 6.180 -11.504 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -24.523 5.490 -12.804 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 13.983 -4.991 -6.013 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 14.343 -4.141 -6.303 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 14.463 -5.641 -6.533 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 -24.343 -4.531 13.003 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 -25.223 -4.601 12.633 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 -24.453 -4.771 13.923 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 20.107 -21.446 19.558 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 20.817 -20.836 19.388 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 20.087 -22.016 18.788 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -5.684 -11.261 19.732 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.524 -11.161 20.172 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -5.354 -10.361 19.632 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 -20.395 -22.769 -16.858 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 -21.195 -22.609 -17.348 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 -19.965 -23.489 -17.328 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 -20.159 -0.615 6.055 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 -20.259 -0.335 5.145 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 -19.379 -1.175 6.045 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 -21.126 -23.709 21.938 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 -20.696 -24.569 21.958 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 -20.556 -23.169 21.388 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 -16.443 19.673 20.342 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 -15.983 19.953 19.552 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 -15.813 19.123 20.812 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.798 18.258 -5.730 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 14.558 17.618 -5.060 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 15.608 17.908 -6.100 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 -10.692 -22.248 6.538 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 -10.132 -21.948 7.248 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 -11.292 -21.528 6.378 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 13.160 -24.391 10.649 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 12.950 -23.941 9.829 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 12.760 -25.251 10.569 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -4.995 22.789 8.442 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -4.495 23.389 9.002 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -5.305 22.109 9.042 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 -15.549 -4.750 -12.028 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 -15.189 -5.550 -12.388 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 -15.789 -4.220 -12.788 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 17.280 -21.402 -12.945 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 16.890 -20.592 -12.615 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 18.200 -21.182 -13.105 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 22.854 -19.688 -16.857 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 23.204 -20.248 -17.547 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 22.924 -20.208 -16.057 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 -15.140 -23.070 -13.214 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 -14.490 -23.490 -12.644 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 -15.010 -22.130 -13.084 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 6.097 21.685 -18.144 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 5.957 21.875 -19.064 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 5.237 21.775 -17.744 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -5.177 12.769 21.305 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -4.767 13.089 22.115 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -5.157 13.519 20.715 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -6.215 -21.895 16.943 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -6.235 -21.455 16.093 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -6.995 -21.575 17.393 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 4.710 -20.184 -0.897 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 3.890 -20.364 -1.357 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 4.470 -19.574 -0.197 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 21.313 -13.946 1.835 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 21.783 -14.766 2.015 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 21.803 -13.276 2.315 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 9.793 15.404 -6.269 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 9.763 15.204 -7.199 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 9.053 15.994 -6.129 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 -2.107 -10.803 -2.854 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 -2.077 -9.853 -3.014 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 -2.457 -10.883 -1.974 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -2.250 14.932 -6.862 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -3.140 15.042 -6.522 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -1.710 15.452 -6.272 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 22.067 22.151 -21.341 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 22.457 21.311 -21.581 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 22.157 22.191 -20.391 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 4.670 -16.690 1.237 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 5.540 -16.440 1.527 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 4.120 -16.600 2.017 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 24.748 -20.213 7.441 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 24.388 -21.093 7.341 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 25.058 -20.183 8.341 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 23.616 -6.489 16.306 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 23.256 -5.879 15.666 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 23.556 -6.019 17.146 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 -16.150 7.232 20.765 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 -16.930 7.442 21.285 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 -15.470 7.052 21.415 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 10.255 -22.987 -20.796 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 11.065 -22.537 -20.556 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 10.425 -23.907 -20.606 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 -24.176 -22.215 24.156 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 -24.186 -21.425 24.686 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 -24.976 -22.675 24.396 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 13.631 22.137 9.659 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 14.121 21.397 9.319 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 14.291 22.717 10.039 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -15.183 -16.898 -7.208 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -15.333 -16.838 -8.158 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -15.403 -16.028 -6.878 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.577 13.174 6.100 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 7.867 13.124 7.010 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 6.837 13.784 6.110 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 10.361 11.252 -13.286 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 10.721 11.782 -12.576 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 10.441 10.342 -12.976 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 -22.101 -11.227 -10.891 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 -21.791 -12.027 -10.461 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 -22.431 -11.517 -11.741 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 12.997 7.124 -3.345 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 13.807 7.604 -3.215 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 12.387 7.504 -2.715 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 25.133 -13.917 -14.834 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 25.373 -13.887 -15.764 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 24.193 -14.087 -14.824 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 -6.846 -10.141 15.981 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 -6.026 -10.521 16.321 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 -6.856 -9.251 16.311 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 -16.564 8.436 -24.649 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 -16.484 8.606 -25.589 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 -17.484 8.216 -24.529 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -15.253 -12.103 21.107 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -14.653 -11.363 21.247 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -15.643 -12.263 21.957 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 -5.684 -20.809 -10.356 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 -6.134 -20.669 -11.196 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 -5.044 -20.099 -10.306 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 20.115 -21.019 12.925 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 19.295 -21.379 12.585 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 20.035 -20.079 12.805 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 18.875 -14.825 -18.110 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 18.885 -15.045 -19.040 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 19.795 -14.745 -17.870 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 19.267 -7.353 1.208 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 18.397 -7.203 0.828 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 19.507 -6.503 1.578 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 8.895 17.053 11.275 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 8.605 17.933 11.535 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 8.165 16.483 11.495 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 8.023 12.085 -0.144 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 7.513 12.145 0.656 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 8.813 12.615 0.026 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 -21.369 9.485 15.881 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 -21.999 10.075 16.301 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 -20.599 9.515 16.441 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 -16.370 -17.743 3.985 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 -16.830 -16.913 3.895 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 -15.610 -17.543 4.525 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 13.279 15.050 13.245 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 13.299 15.290 12.315 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 12.449 14.590 13.355 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 3.486 18.760 -12.731 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 4.356 18.380 -12.581 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 3.396 18.780 -13.681 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 -23.705 -14.267 -6.544 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 -23.985 -14.157 -5.634 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 -24.035 -15.127 -6.794 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -3.635 -7.693 2.345 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -3.485 -8.643 2.345 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -3.095 -7.373 1.625 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 -20.894 -10.232 1.301 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 -21.314 -10.642 0.551 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 -21.574 -10.212 1.971 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -17.412 -13.189 16.609 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -17.682 -12.489 17.199 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -17.132 -12.729 15.809 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -10.409 14.593 19.709 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -11.229 14.513 19.219 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -9.909 13.813 19.479 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 -11.873 13.614 10.591 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 -10.993 13.624 10.971 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 -12.043 12.684 10.431 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 6.996 16.752 -0.445 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 7.566 17.022 -1.175 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 7.496 16.972 0.335 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 3.726 -23.498 -24.283 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 4.606 -23.488 -24.643 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 3.166 -23.748 -25.013 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 -24.379 -12.196 -20.193 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 -23.849 -12.896 -20.563 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 -23.879 -11.396 -20.373 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 0.816 24.896 -24.988 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 0.286 24.966 -24.188 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 0.236 24.486 -25.628 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 -12.372 -7.170 -20.543 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 -12.462 -7.840 -21.223 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 -12.432 -6.340 -21.023 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -1.865 -7.935 -3.665 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -1.595 -7.895 -4.585 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -2.705 -7.485 -3.645 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 22.240 4.040 14.862 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 22.060 4.890 15.262 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 21.560 3.460 15.202 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 -9.544 -22.680 22.026 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 -8.614 -22.900 22.016 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 -9.744 -22.530 22.946 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 -20.047 5.881 5.770 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 -19.887 5.161 6.370 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 -19.877 6.671 6.290 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 16.886 19.325 -12.573 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 16.046 19.765 -12.423 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 16.706 18.405 -12.363 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 23.665 -8.646 8.456 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 24.515 -8.386 8.106 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 23.445 -9.456 7.986 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 -18.914 23.011 -17.300 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 -18.154 23.431 -16.880 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 -19.304 23.701 -17.840 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -9.589 19.765 -21.452 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -9.959 20.635 -21.592 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -8.699 19.825 -21.812 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 17.427 -10.937 25.125 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 17.747 -10.077 24.845 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 16.977 -11.287 24.355 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 -12.496 11.100 -23.279 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 -11.846 11.080 -23.979 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 -12.046 10.730 -22.519 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 1.297 -10.143 22.703 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 1.327 -10.243 23.653 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 0.427 -10.443 22.453 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 21.508 19.425 -2.353 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 20.848 20.095 -2.173 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 21.358 18.755 -1.683 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -16.335 -1.032 5.154 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -16.845 -1.292 4.384 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -15.425 -1.252 4.924 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 23.011 24.990 12.447 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 23.671 24.660 13.057 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 23.451 24.970 11.587 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 25.598 12.437 18.267 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 24.768 11.987 18.097 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 25.388 13.067 18.957 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 1.701 -10.535 -18.135 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 1.521 -9.605 -18.025 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 2.651 -10.615 -18.075 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 20.373 -19.742 -23.368 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 19.893 -19.122 -22.818 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 19.943 -20.582 -23.218 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -5.666 4.756 -17.600 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -4.796 4.376 -17.480 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -5.886 4.566 -18.510 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -14.084 17.854 11.979 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -14.144 18.234 12.859 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -14.404 18.544 11.399 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 14.307 -16.464 19.786 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 14.737 -15.804 20.326 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 14.707 -16.374 18.926 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 10.541 -10.699 15.139 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 10.581 -11.199 15.959 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 10.391 -11.349 14.459 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 9.439 10.170 2.829 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 8.929 10.960 2.999 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 10.309 10.360 3.189 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -9.362 -20.803 -19.608 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -9.962 -21.493 -19.298 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -9.932 -20.063 -19.788 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 22.178 12.968 12.292 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 22.278 12.538 13.142 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 22.668 12.418 11.682 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 11.410 -12.804 -1.940 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 11.450 -11.854 -1.800 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 11.320 -12.914 -2.880 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 -10.544 -4.284 -15.464 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 -9.684 -4.234 -15.044 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 -10.454 -3.744 -16.254 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -17.241 10.948 -2.676 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -18.051 10.978 -2.166 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -16.591 10.588 -2.066 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 9.213 15.855 1.395 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 8.763 16.345 2.095 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 10.053 15.615 1.785 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 3.518 -2.380 -15.731 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 4.238 -1.750 -15.691 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 2.928 -2.040 -16.401 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -3.131 5.506 15.989 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -3.591 6.336 16.159 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.011 5.486 15.039 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 -3.450 -18.557 -7.115 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 -2.930 -18.477 -6.315 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 -4.090 -19.237 -6.925 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 19.561 4.492 -5.428 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 20.251 5.152 -5.328 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 18.751 5.002 -5.528 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 -19.462 -18.250 2.955 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 -19.282 -18.180 3.895 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 -20.082 -17.540 2.775 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 -25.127 -17.833 5.429 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 -25.187 -18.463 6.139 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 -24.417 -17.243 5.679 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 16.721 15.724 17.012 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 16.881 15.524 16.092 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 16.001 16.364 17.002 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 19.335 -3.580 -3.756 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 19.875 -4.120 -3.166 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 19.945 -2.950 -4.126 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 -4.810 -11.238 2.814 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 -3.940 -10.928 2.564 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 -4.910 -10.978 3.724 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 3.033 -23.437 14.268 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 2.403 -23.557 13.558 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 3.883 -23.647 13.868 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 3.753 -11.773 -11.622 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 4.273 -12.563 -11.782 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 3.733 -11.323 -12.472 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -15.161 5.759 -24.466 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -14.481 6.419 -24.616 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -15.981 6.249 -24.466 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 -14.780 -16.218 18.799 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 -14.450 -16.928 19.359 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 -15.670 -16.048 19.119 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 0.685 5.705 22.345 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 -0.035 6.305 22.555 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 0.265 4.845 22.295 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 5.169 21.139 -11.861 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 4.929 20.229 -12.051 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 4.549 21.409 -11.181 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 -12.338 -9.358 -15.976 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 -12.659 -8.598 -15.496 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 -12.539 -9.168 -16.896 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 13.691 24.992 -10.588 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 14.521 25.392 -10.348 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 13.891 24.072 -10.738 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 17.485 0.083 3.130 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 18.205 0.243 3.740 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 17.885 -0.427 2.430 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 13.993 -7.160 7.539 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 14.043 -6.370 8.079 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 13.083 -7.450 7.609 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -20.936 14.617 24.686 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -21.246 13.947 24.076 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -21.446 14.487 25.476 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 -19.457 -18.028 -7.364 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 -19.987 -18.598 -6.804 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 -18.587 -18.438 -7.354 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 0.829 -21.658 7.425 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 0.089 -21.448 7.975 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 0.899 -20.918 6.815 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 -22.635 -22.970 -23.947 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 -23.325 -22.630 -23.377 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 -22.815 -23.900 -24.017 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 18.224 -17.153 3.436 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 18.514 -17.073 2.526 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 17.284 -17.303 3.366 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 1.724 7.795 -2.275 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 2.044 6.895 -2.265 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 0.994 7.785 -1.655 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 1.775 12.988 -0.305 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 2.445 13.668 -0.325 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 1.185 13.248 0.395 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 -14.413 -2.890 4.497 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 -13.653 -2.870 3.907 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 -15.103 -3.310 3.997 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 -19.167 -7.006 17.045 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 -19.477 -6.456 16.325 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 -19.687 -6.726 17.795 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 20.563 -2.122 22.271 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 19.783 -2.672 22.281 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 20.253 -1.262 22.571 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 2.833 -23.162 -7.338 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 3.563 -22.882 -6.798 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 3.053 -22.852 -8.218 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 18.529 11.151 -23.900 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 19.059 11.841 -23.510 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 18.669 10.391 -23.340 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 13.958 -13.894 -14.161 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 13.888 -14.654 -13.591 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 14.178 -14.264 -15.021 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 3.565 22.344 16.061 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 3.055 23.024 15.601 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 3.055 22.164 16.841 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 10.760 24.683 -22.500 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 10.140 24.223 -23.080 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 11.010 25.463 -22.990 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 22.170 -23.991 -24.178 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 22.770 -24.571 -24.658 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 22.080 -24.391 -23.318 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 6.609 10.002 -19.482 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 7.159 10.732 -19.742 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 6.319 10.222 -18.602 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 12.715 21.649 2.883 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 11.935 22.179 2.763 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 12.765 21.109 2.093 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 -7.592 9.535 8.331 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 -8.472 9.655 8.691 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 -7.692 8.865 7.661 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 17.777 -9.950 10.510 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 17.197 -10.590 10.100 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 18.427 -9.760 9.830 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -15.883 17.031 -17.255 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.053 16.371 -17.925 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -15.583 16.531 -16.495 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -24.031 -1.400 14.203 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -24.151 -1.510 13.263 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -23.201 -1.840 14.393 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 -18.032 -3.561 -19.399 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 -17.762 -3.861 -18.529 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 -18.712 -4.171 -19.659 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 3.668 15.040 22.285 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 2.918 14.670 21.815 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 4.358 14.390 22.175 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 19.525 -19.450 -13.593 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 19.785 -19.720 -14.473 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 20.335 -19.120 -13.203 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 -14.675 -7.201 9.914 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 -14.275 -7.151 10.784 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 -14.975 -8.111 9.834 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 5.744 10.164 -0.935 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 5.604 10.294 -0.005 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 6.694 10.194 -1.045 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 15.330 -18.821 22.939 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 14.510 -19.291 22.819 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 15.640 -18.621 22.059 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 7.160 16.229 15.059 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 6.400 15.659 14.939 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 6.820 17.119 14.919 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.309 11.263 17.037 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 10.729 10.983 17.747 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 12.189 11.243 17.417 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 21.633 -20.461 5.345 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 22.113 -21.211 5.705 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 22.193 -19.701 5.555 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 17.759 2.071 -20.213 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 17.409 1.481 -20.883 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 18.279 2.711 -20.703 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 -21.736 8.041 -6.343 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 -22.176 8.751 -6.813 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 -20.846 8.031 -6.703 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 8.080 12.594 3.230 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 7.970 13.354 3.800 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 7.280 12.084 3.350 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 14.857 -2.515 4.886 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 13.937 -2.615 4.616 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 14.807 -2.315 5.816 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 12.235 18.306 2.801 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 12.535 18.666 3.641 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 12.025 17.396 2.991 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 1.546 17.395 16.485 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 0.636 17.225 16.265 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 2.036 16.965 15.785 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 11.336 7.407 -11.928 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 12.206 7.617 -12.258 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 11.286 6.447 -11.968 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -6.474 5.984 15.901 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -7.424 5.854 15.901 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -6.314 6.674 15.261 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 12.290 19.910 19.336 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 11.710 20.260 20.016 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 12.990 19.480 19.826 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 -21.387 -19.609 -24.338 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 -21.587 -18.969 -25.018 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 -21.947 -19.369 -23.598 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 19.784 -23.231 10.729 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 19.544 -22.401 10.339 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 20.644 -23.071 11.129 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 9.250 -6.994 -7.119 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 9.370 -6.834 -6.179 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 8.790 -7.834 -7.149 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -19.499 -7.117 -6.091 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -19.319 -7.147 -5.151 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -20.449 -7.077 -6.151 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 13.205 -5.259 19.671 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 13.625 -5.349 18.811 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 12.395 -4.769 19.501 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 0.667 -12.845 3.929 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -0.153 -12.855 3.449 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 0.597 -12.105 4.529 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 23.241 23.303 -23.594 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 22.561 23.913 -23.904 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 22.791 22.753 -22.954 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 23.664 22.542 -8.889 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 23.514 23.382 -9.319 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 23.074 21.932 -9.339 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 -4.353 0.811 -2.668 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 -3.893 0.841 -1.828 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 -3.913 1.471 -3.208 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 -15.350 14.242 17.439 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 -14.560 14.022 16.939 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 -16.030 13.692 17.059 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 8.680 5.086 -24.351 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 9.120 4.246 -24.231 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 9.230 5.556 -24.981 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 16.969 -13.551 24.262 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 17.159 -12.841 24.872 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 16.899 -14.321 24.812 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 7.373 -21.682 -16.381 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 6.983 -20.862 -16.681 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 6.653 -22.312 -16.441 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 21.649 11.705 5.110 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 20.819 11.295 5.340 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 22.089 11.855 5.950 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 23.868 13.091 20.259 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 23.608 12.251 20.619 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 23.238 13.721 20.619 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 -2.211 2.710 12.735 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 -2.871 2.070 12.475 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 -2.351 2.830 13.675 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 0.860 -0.445 -15.285 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 1.510 0.255 -15.365 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 0.790 -0.815 -16.175 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 21.533 14.397 20.745 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 20.933 14.347 19.995 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 21.433 13.557 21.185 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 0.540 -3.829 -1.509 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 0.450 -4.759 -1.269 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 -0.240 -3.649 -2.049 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -24.417 3.401 9.183 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -23.977 3.301 8.343 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -24.007 2.751 9.753 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 24.343 7.257 14.396 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 24.063 7.887 15.066 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 25.223 7.547 14.136 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.716 20.379 6.326 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 11.416 19.839 7.056 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.436 19.879 5.946 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.565 18.144 13.488 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.225 17.414 12.968 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.805 18.804 12.838 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.799 1.913 -15.028 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -18.909 1.933 -15.978 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.459 2.523 -14.688 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -5.756 1.291 -23.525 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -6.566 0.951 -23.895 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -5.836 2.241 -23.615 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -6.402 20.056 15.986 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -7.112 20.566 16.376 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -6.222 19.366 16.626 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -19.140 21.730 13.641 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -19.580 22.550 13.871 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -19.700 21.050 14.011 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 1.374 0.301 22.072 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 1.644 1.191 22.312 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 1.124 0.371 21.152 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -6.115 -13.430 21.276 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -5.265 -13.490 21.706 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -5.995 -12.770 20.586 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 -6.273 -17.208 -13.790 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 -6.913 -17.048 -14.480 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 -6.793 -17.368 -13.010 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 21.805 4.753 9.520 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 21.465 5.273 8.790 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 22.745 4.723 9.370 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 7.447 3.534 -2.603 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 7.087 3.554 -3.483 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 7.987 2.744 -2.583 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 9.094 14.203 -23.914 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 9.924 14.223 -23.434 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 8.874 15.123 -24.054 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 9.643 -14.983 -18.508 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 10.153 -14.473 -17.878 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 9.113 -15.563 -17.968 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 21.335 21.489 4.117 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 20.745 22.069 3.627 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 22.205 21.729 3.797 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -0.093 15.262 23.084 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -0.213 15.722 22.254 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 0.767 14.852 23.014 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 22.148 -9.013 13.979 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 22.488 -9.893 14.149 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 22.928 -8.473 13.849 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 -12.313 21.000 -6.818 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 -12.053 20.910 -7.738 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 -12.783 20.190 -6.618 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 2.391 -17.183 4.962 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 1.751 -17.763 4.552 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 3.221 -17.423 4.562 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -21.531 9.831 -8.654 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -21.971 10.681 -8.714 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -21.401 9.561 -9.554 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 -19.501 12.817 16.332 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 -19.261 13.687 16.022 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 -20.441 12.747 16.132 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 -9.232 -2.782 -4.055 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 -8.352 -3.112 -3.875 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 -9.812 -3.372 -3.575 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -24.885 4.787 20.997 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -25.125 5.687 21.197 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -24.185 4.867 20.357 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 -16.321 -13.446 -17.780 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 -15.711 -13.816 -17.150 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 -17.001 -13.036 -17.250 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 -12.715 7.139 -25.076 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 -11.775 7.159 -25.256 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 -12.795 7.429 -24.166 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 -20.535 12.573 -22.811 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 -20.395 13.043 -23.641 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 -19.955 12.993 -22.191 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 11.994 15.298 -19.274 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 12.614 15.958 -18.974 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 11.344 15.238 -18.564 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 20.964 23.663 2.542 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 21.654 23.743 3.192 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 20.564 24.533 2.522 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 -5.791 15.444 15.650 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 -5.821 15.014 16.500 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 -6.291 16.254 15.770 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -0.907 18.864 -10.493 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -0.667 18.104 -9.963 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -1.787 18.664 -10.813 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -2.343 1.188 8.005 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -3.233 0.848 8.145 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -2.303 1.358 7.065 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 4.820 14.038 1.635 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 5.270 14.528 2.325 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 4.830 14.628 0.885 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -0.571 -2.040 4.660 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -0.431 -1.150 5.010 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 0.159 -2.180 4.060 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -2.563 1.532 -13.120 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -3.403 1.342 -13.530 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -2.033 0.762 -13.300 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 1.945 -11.428 -21.151 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 1.885 -12.048 -21.871 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 1.175 -11.608 -20.611 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 -9.849 10.375 -2.315 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 -10.399 11.145 -2.475 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 -9.879 9.885 -3.145 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -7.055 18.228 -22.887 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -7.665 18.028 -23.587 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -6.905 19.168 -22.957 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -21.292 -9.435 7.192 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -21.952 -8.805 6.902 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -20.562 -9.305 6.582 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 -5.840 9.839 -16.300 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 -5.950 9.749 -15.360 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 -6.650 9.499 -16.670 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 -3.954 14.820 9.812 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 -4.174 15.110 8.932 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 -3.084 14.430 9.722 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.094 17.409 19.078 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -10.474 16.949 18.518 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.954 17.219 18.688 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -6.202 19.723 13.023 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -6.402 19.793 13.953 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -7.042 19.863 12.583 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 -13.467 -20.536 -4.358 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 -12.717 -20.696 -3.778 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 -13.427 -21.236 -4.998 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -17.560 -24.504 5.753 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -18.210 -24.474 5.053 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -16.810 -24.004 5.403 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 24.533 8.882 16.681 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 25.343 8.672 17.131 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 24.033 9.402 17.311 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 17.484 18.389 24.606 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 17.304 17.479 24.876 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 16.744 18.889 24.956 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 -8.559 0.171 -3.341 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 -7.669 -0.139 -3.181 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 -9.069 -0.629 -3.471 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 -13.535 -14.978 3.433 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 -12.905 -15.508 2.933 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 -13.595 -15.418 4.273 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 16.190 -0.805 -13.375 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 15.740 -0.895 -12.535 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 15.510 -0.545 -13.995 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 -2.839 20.503 -8.762 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 -2.229 19.803 -9.012 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 -2.999 20.363 -7.832 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 21.611 9.299 -20.488 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 22.311 9.599 -19.898 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 22.071 8.829 -21.178 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 11.751 -14.427 0.150 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 11.271 -14.007 -0.570 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 12.111 -13.707 0.660 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -10.806 1.519 -24.574 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -11.586 1.139 -24.984 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -10.746 1.089 -23.724 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 -23.066 21.854 -21.705 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 -22.226 21.944 -22.155 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 -22.866 22.024 -20.785 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 17.948 -16.994 14.972 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 17.608 -17.814 15.312 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 18.538 -16.684 15.652 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 -13.371 -16.961 0.939 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 -12.621 -17.001 0.349 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 -14.071 -17.421 0.469 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 -16.295 -9.597 11.071 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 -16.925 -10.227 11.421 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 -16.835 -8.867 10.761 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 19.486 -14.578 -7.601 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 19.656 -13.698 -7.271 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 19.036 -14.448 -8.431 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 13.276 -15.428 6.121 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 13.566 -14.518 6.061 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 13.476 -15.808 5.271 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 3.566 5.646 12.015 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 2.836 6.256 12.115 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 4.036 5.956 11.235 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -19.245 11.268 -5.870 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -20.095 11.628 -5.610 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -19.435 10.748 -6.650 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -18.366 -7.315 -3.293 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -17.956 -8.145 -3.553 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -18.026 -7.145 -2.413 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 -17.005 3.763 22.043 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 -17.245 4.653 21.793 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 -16.735 3.843 22.963 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 12.586 -17.977 -12.541 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 11.896 -17.387 -12.221 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 12.116 -18.657 -13.011 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 12.688 17.930 -19.338 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 12.338 17.820 -20.218 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 13.478 18.470 -19.458 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -23.930 15.178 17.548 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -24.480 15.218 18.328 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -23.090 15.548 17.838 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 4.517 -7.432 -4.611 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 5.087 -7.322 -3.851 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 5.077 -7.842 -5.271 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 14.638 14.043 16.667 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 14.278 13.653 15.867 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 15.478 14.413 16.397 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 16.757 11.009 -1.015 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 17.217 10.349 -1.545 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 17.437 11.639 -0.795 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 18.784 18.217 -21.878 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 19.264 18.697 -22.558 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 19.384 18.197 -21.128 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 2.077 -19.022 -11.317 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 1.497 -18.362 -11.707 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 2.907 -18.562 -11.187 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 11.467 -11.784 10.581 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 12.217 -11.344 10.981 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 11.607 -12.714 10.771 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 0.478 -4.325 15.902 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 0.348 -4.975 16.592 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 0.148 -3.515 16.272 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 6.332 20.492 -22.413 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 6.023 19.592 -22.363 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 6.873 20.522 -23.193 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 3.378 18.407 22.669 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 2.428 18.317 22.699 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 3.698 17.587 22.299 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 1.451 -23.125 24.681 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 1.091 -22.585 25.381 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 1.091 -23.995 24.831 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 -12.655 22.265 4.100 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 -12.385 23.045 3.620 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 -13.535 22.075 3.790 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.386 -12.266 11.356 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -21.556 -13.166 11.066 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -20.476 -12.266 11.636 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.460 23.202 -18.045 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -7.540 22.982 -17.855 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.420 24.062 -18.455 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 4.684 -14.107 -22.698 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 4.894 -13.757 -23.558 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 4.624 -15.047 -22.828 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 24.427 7.099 5.536 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 23.767 7.179 4.846 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 24.837 6.249 5.386 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -2.604 -22.627 -24.404 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -2.834 -21.697 -24.334 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -2.814 -22.857 -25.314 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -5.645 -22.507 -8.333 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -5.045 -22.197 -7.653 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -5.455 -21.957 -9.093 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 -22.320 10.996 17.975 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 -22.890 10.346 18.375 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 -22.810 11.816 18.025 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -10.799 9.570 19.242 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -9.979 9.570 18.762 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -10.879 10.460 19.572 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 21.867 -2.487 9.808 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 22.207 -3.157 9.208 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 22.167 -2.757 10.678 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -14.153 -9.665 -23.558 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -13.593 -10.015 -22.858 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -13.733 -9.955 -24.368 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -21.426 -7.598 0.770 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -21.476 -8.518 1.030 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -21.136 -7.618 -0.140 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 4.540 18.615 -4.213 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 4.060 19.305 -4.673 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 5.080 18.205 -4.893 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 13.035 24.394 -6.085 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 13.645 24.064 -5.425 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 13.195 25.334 -6.105 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -20.647 -16.312 -1.884 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -20.057 -16.372 -2.644 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -20.847 -15.382 -1.804 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 -13.547 16.059 16.516 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 -14.207 15.849 17.176 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 -12.877 15.379 16.616 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 -4.705 19.985 -18.048 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 -4.025 19.695 -18.668 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 -4.945 19.185 -17.578 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 8.524 9.081 5.839 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 8.104 8.241 6.039 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 9.284 8.851 5.299 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 16.179 15.964 -6.370 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 17.119 16.114 -6.280 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 16.069 15.644 -7.270 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 -14.716 20.986 13.514 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 -14.866 21.896 13.764 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 -14.486 21.026 12.584 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 6.173 17.021 -6.303 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 6.733 17.081 -5.533 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 6.593 17.571 -6.953 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 -14.560 0.531 2.721 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 -14.280 1.061 1.981 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 -13.810 -0.049 2.901 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 -2.634 -20.645 14.326 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 -2.444 -21.525 14.646 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 -3.564 -20.515 14.526 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 -17.275 4.230 -20.994 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 -16.485 4.020 -21.494 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 -16.945 4.680 -20.214 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 -22.165 16.677 7.502 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 -22.625 16.617 8.332 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 -21.735 15.827 7.402 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 -23.220 17.920 -20.395 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 -23.090 17.080 -19.955 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 -22.780 17.810 -21.235 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 -11.435 -22.349 -2.866 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 -10.845 -22.369 -2.116 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 -10.935 -22.729 -3.586 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 17.481 -15.026 -13.508 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 17.111 -14.146 -13.408 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 18.031 -15.146 -12.728 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -18.249 20.633 6.189 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -18.509 21.183 5.449 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -17.369 20.333 5.959 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 4.344 22.489 2.961 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 5.014 23.109 3.241 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 4.534 21.679 3.441 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 -15.729 -2.455 22.827 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 -15.019 -2.565 22.197 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 -16.499 -2.285 22.287 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 13.503 -23.249 -5.824 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 13.953 -22.499 -6.224 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 14.123 -23.579 -5.184 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 -22.540 -22.899 -15.007 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 -22.870 -23.409 -14.267 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 -23.080 -23.179 -15.747 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 13.412 1.200 0.301 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 13.132 0.400 -0.149 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 13.791 1.740 -0.379 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -3.445 11.220 -2.734 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -2.485 11.250 -2.674 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -3.675 12.040 -3.174 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 11.913 -21.371 11.519 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 12.223 -21.571 12.399 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 11.663 -22.221 11.159 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 18.218 8.984 -2.118 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 19.128 9.014 -2.408 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 17.808 8.334 -2.688 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 9.810 -18.536 -12.055 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 9.780 -19.466 -11.815 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 9.200 -18.116 -11.445 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -14.087 13.843 21.940 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -14.147 14.483 21.240 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -14.697 14.163 22.610 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 19.769 -1.455 17.599 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 20.179 -2.275 17.879 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 20.459 -0.805 17.669 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -23.510 12.122 -9.024 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -23.910 12.992 -8.944 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -24.260 11.532 -9.134 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.787 -19.994 -16.968 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.947 -20.774 -16.428 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.397 -19.364 -16.358 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -16.325 -11.561 14.435 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -17.075 -11.621 13.855 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -15.565 -11.691 13.875 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -2.882 -1.615 22.048 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -2.342 -1.225 21.358 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -2.802 -1.015 22.788 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 7.524 -4.820 23.590 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 6.904 -4.430 24.210 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 8.374 -4.780 24.040 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 -5.509 15.179 20.519 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 -5.589 15.569 19.649 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 -5.179 15.889 21.069 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 3.105 -12.139 20.584 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 3.675 -11.769 19.914 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 3.315 -11.649 21.384 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 -10.640 -18.314 19.045 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 -11.060 -18.614 18.245 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 -10.700 -19.054 19.645 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 15.680 -16.032 -10.818 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 16.500 -16.172 -11.278 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 15.710 -15.112 -10.528 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 -2.157 18.359 5.324 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 -1.297 18.179 4.934 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 -2.407 17.539 5.754 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -11.524 -13.705 -24.064 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -11.234 -13.465 -23.184 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -12.294 -14.255 -23.914 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 -8.912 19.553 -17.244 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 -8.672 20.473 -17.344 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 -8.092 19.113 -17.034 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.084 -24.908 -19.652 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -0.914 -24.898 -18.712 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -2.034 -24.898 -19.722 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 -15.983 -7.773 15.912 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 -16.143 -6.983 16.442 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 -15.673 -7.433 15.072 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -18.177 7.812 18.798 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -17.287 8.092 19.008 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -18.097 6.882 18.598 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 -5.152 -17.954 10.281 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 -4.832 -17.154 10.711 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 -4.362 -18.464 10.121 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 -11.435 -24.332 -8.991 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 -11.005 -23.482 -9.041 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 -10.805 -24.952 -9.351 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 19.625 18.889 3.645 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 19.325 19.759 3.905 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 19.705 18.939 2.685 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -0.433 16.285 -22.263 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -0.923 16.045 -21.483 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -0.133 15.455 -22.633 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 -2.591 6.668 -0.134 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 -2.821 5.748 -0.244 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 -3.091 7.128 -0.804 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -1.147 -7.917 16.676 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -1.117 -8.757 16.226 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -1.437 -7.287 16.016 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 5.911 10.704 -24.519 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 5.441 10.144 -23.899 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 5.281 10.864 -25.219 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 -5.420 3.807 -24.367 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 -4.730 4.457 -24.237 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 -6.110 4.277 -24.847 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 24.978 -21.693 16.359 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 25.618 -21.063 16.699 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 24.678 -21.313 15.529 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 16.560 -7.159 0.669 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 16.170 -6.629 1.379 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 16.100 -6.869 -0.121 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 -4.209 23.237 -0.585 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 -5.129 23.307 -0.325 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 -4.179 23.627 -1.455 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 -9.727 -15.998 2.997 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 -10.477 -16.588 3.077 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 -9.547 -15.958 2.057 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 4.525 3.702 -3.883 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 4.235 2.802 -4.063 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 4.085 3.932 -3.073 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 14.673 -14.011 -19.024 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 15.023 -14.201 -18.154 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 14.773 -13.071 -19.124 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 19.139 -3.809 0.439 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 19.119 -4.249 1.289 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 18.849 -4.469 -0.181 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 5.836 -25.324 -18.761 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 5.586 -24.424 -18.521 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 5.126 -25.634 -19.321 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 6.937 16.334 6.851 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 6.147 16.754 6.521 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 7.307 16.964 7.461 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 23.043 -18.571 12.763 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 23.113 -19.431 13.173 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 22.863 -18.761 11.843 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 0.113 -23.908 -0.567 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 0.403 -23.668 0.313 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -0.817 -23.698 -0.577 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 -16.447 -21.836 -1.889 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 -17.227 -22.376 -2.029 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 -16.477 -21.186 -2.589 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 3.334 1.051 -15.855 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 4.234 0.881 -16.125 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 2.824 0.981 -16.655 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 7.331 -8.736 -3.932 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 7.911 -8.316 -3.292 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 6.551 -8.976 -3.422 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 12.857 -15.214 16.085 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 13.567 -14.694 16.465 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 12.837 -14.964 15.165 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 7.416 11.467 -13.184 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 7.526 11.027 -14.024 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 8.306 11.597 -12.864 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 -8.507 -11.934 17.969 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 -8.527 -11.014 17.699 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 -7.577 -12.164 17.979 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -0.643 -25.221 -3.378 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -0.753 -24.291 -3.548 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 0.107 -25.481 -3.908 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 13.527 -15.189 -1.848 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 12.977 -14.739 -1.198 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 13.207 -14.879 -2.688 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -17.465 -21.965 -25.151 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -17.545 -22.895 -25.391 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -17.765 -21.935 -24.241 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 -10.482 6.830 -6.069 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 -10.352 7.120 -6.969 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 -10.212 5.910 -6.069 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 -13.534 -15.196 13.474 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 -13.794 -15.446 12.594 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 -13.464 -16.026 13.954 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 -17.910 4.655 -16.270 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 -18.440 4.985 -17.000 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 -17.980 3.705 -16.340 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 -10.676 13.599 16.364 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 -10.246 12.849 16.774 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 -10.176 14.349 16.674 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -17.315 -0.302 20.523 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -16.685 0.188 21.053 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -17.525 0.278 19.803 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -3.430 -21.924 -6.499 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -2.890 -22.084 -7.269 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -2.920 -22.284 -5.769 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 -19.922 -16.543 -9.413 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 -20.612 -17.183 -9.623 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 -19.612 -16.793 -8.543 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 23.214 20.249 -0.269 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 23.004 20.429 -1.189 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 22.804 20.969 0.211 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 -14.480 23.626 -7.628 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 -13.560 23.836 -7.778 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -14.900 24.466 -7.458 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 8.980 17.175 -15.124 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 9.410 17.455 -15.934 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 9.200 17.855 -14.484 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 15.430 -21.795 -1.640 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 15.420 -22.525 -1.020 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 14.950 -21.095 -1.200 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 21.959 -7.126 9.647 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 22.619 -7.686 9.247 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 21.119 -7.506 9.387 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 -12.681 7.957 -13.991 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 -12.821 7.507 -13.161 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 -13.531 7.917 -14.431 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 -20.582 1.114 3.191 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 -21.042 0.664 2.471 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 -20.112 1.834 2.761 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 21.925 20.134 -9.974 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 21.335 19.774 -10.644 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 21.745 19.604 -9.194 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 -8.512 -10.956 20.554 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 -8.932 -11.326 21.324 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 -8.772 -11.536 19.834 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 -16.605 21.941 -22.344 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 -17.155 21.751 -21.584 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 -17.145 21.701 -23.094 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -8.791 -2.446 -24.641 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -8.251 -3.116 -25.061 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -9.171 -1.966 -25.371 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -15.435 -14.808 -20.445 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -15.115 -14.548 -19.575 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -16.265 -15.238 -20.265 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 5.412 -8.499 -21.544 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 6.351 -8.639 -21.394 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 5.051 -8.369 -20.664 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -18.999 -13.262 6.046 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -18.349 -12.732 6.496 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -19.839 -12.862 6.276 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 21.963 13.601 -4.141 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 22.493 12.911 -3.741 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 21.263 13.761 -3.521 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -4.032 -11.183 -15.098 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -3.972 -12.113 -14.898 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -4.342 -10.783 -14.288 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -9.425 20.367 -5.568 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -10.125 20.947 -5.258 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -9.875 19.547 -5.788 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 0.701 -10.305 19.361 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 1.201 -10.955 19.861 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 0.741 -10.615 18.461 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 16.029 -0.866 -5.383 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 15.369 -1.236 -5.963 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 15.909 -1.336 -4.553 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 9.453 19.487 -13.924 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 9.183 20.257 -13.434 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 9.963 19.837 -14.664 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 -21.712 22.121 15.327 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 -21.552 22.941 14.847 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 -22.652 21.971 15.237 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 -13.957 -9.641 12.607 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 -13.757 -10.221 13.337 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 -14.907 -9.541 12.637 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 13.725 -17.900 -9.713 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 13.495 -18.390 -10.503 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 14.495 -17.390 -9.953 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 -22.096 2.798 -14.497 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 -22.546 3.628 -14.327 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 -22.766 2.128 -14.407 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 11.255 18.270 -0.691 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 10.805 18.980 -0.231 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 11.215 17.530 -0.091 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 15.368 -22.302 3.095 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 14.568 -22.612 3.525 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 15.908 -23.092 3.005 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 24.504 20.653 8.985 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 25.374 20.373 8.715 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 24.654 21.253 9.705 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 -6.475 4.195 -0.181 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 -6.475 3.995 0.749 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 -6.595 5.135 -0.231 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 -0.425 -14.561 8.657 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 -0.255 -14.741 7.727 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 -0.855 -13.711 8.657 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -23.985 7.959 -23.731 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -23.185 7.539 -23.441 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -24.205 8.579 -23.031 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 8.491 1.160 -1.148 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 8.791 1.610 -0.358 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 9.291 0.840 -1.568 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 17.056 -2.257 19.159 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 17.766 -2.107 18.539 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 16.256 -2.077 18.659 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -4.451 6.481 -15.914 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -4.591 5.721 -16.484 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -5.251 6.991 -16.004 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 5.856 3.088 6.220 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 5.096 3.478 5.790 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 5.696 2.148 6.190 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -16.196 -15.870 9.725 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -16.606 -15.460 10.485 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -16.446 -16.790 9.785 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -20.169 1.207 21.423 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -19.439 0.867 21.943 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -19.759 1.817 20.813 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 -14.826 2.672 7.131 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 -14.256 3.182 6.551 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 -14.286 1.932 7.401 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 12.781 4.797 -20.748 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.931 4.767 -21.178 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 13.261 5.477 -21.218 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 18.940 7.084 19.015 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 18.440 6.874 19.805 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 19.380 7.914 19.215 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 -14.606 -10.035 16.476 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 -15.056 -9.215 16.246 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 -14.916 -10.665 15.826 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -11.701 -7.613 -11.268 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -11.831 -8.423 -11.768 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -11.821 -7.883 -10.348 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 7.488 -18.663 7.632 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 8.108 -18.943 8.302 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 7.038 -17.913 8.032 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -5.742 -10.271 -5.188 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -4.912 -10.351 -5.648 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -5.632 -10.801 -4.398 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 16.265 -10.190 20.426 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 15.535 -9.580 20.506 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 16.135 -10.610 19.576 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 21.654 -9.747 -7.641 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 21.114 -9.057 -8.021 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 21.034 -10.457 -7.451 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 -18.446 -2.758 7.392 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 -19.016 -2.248 7.972 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 -18.026 -3.388 7.972 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -13.840 19.671 2.076 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -13.810 20.221 1.296 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.440 18.961 1.836 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 14.241 13.917 19.431 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 14.191 14.207 18.511 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 14.861 13.187 19.411 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 17.586 -2.131 -1.226 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 18.126 -2.721 -0.696 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 17.106 -2.711 -1.816 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 20.793 6.015 -15.154 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 20.183 6.755 -15.124 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 20.283 5.295 -15.534 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 -10.245 21.730 12.435 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 -10.905 21.290 12.965 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 -10.755 22.250 11.805 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 16.828 -13.268 5.257 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 16.688 -13.988 5.857 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 17.308 -13.648 4.527 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -4.564 5.122 -19.930 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -3.814 5.592 -20.280 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -4.444 4.212 -20.220 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -22.423 12.885 15.736 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -22.963 12.335 15.166 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -22.983 13.635 15.946 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -9.032 -19.992 11.033 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -8.482 -20.742 11.213 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -8.912 -19.412 11.783 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 -16.252 -20.378 -21.618 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 -16.772 -21.108 -21.938 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 -16.892 -19.718 -21.368 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 -4.194 23.464 -19.804 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 -3.314 23.264 -19.494 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 -4.124 23.444 -20.754 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 13.069 -19.689 -6.928 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 13.849 -20.059 -7.338 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 13.099 -18.759 -7.128 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 19.536 -21.137 -3.970 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 18.736 -20.607 -4.000 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 19.556 -21.477 -3.070 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 -8.209 5.633 -17.173 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 -8.469 5.743 -16.253 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 -7.259 5.713 -17.163 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 24.708 18.191 12.419 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 23.848 18.531 12.649 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 24.618 17.901 11.519 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -25.100 14.751 -4.732 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -24.900 14.831 -3.802 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -24.260 14.881 -5.172 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 -20.512 4.065 14.892 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 -21.232 3.685 15.382 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 -20.222 3.355 14.302 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -14.645 -15.791 22.662 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -14.015 -16.501 22.752 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -14.115 -15.001 22.542 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -17.597 -16.200 -19.236 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -17.277 -16.830 -18.586 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -18.277 -16.670 -19.706 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 3.464 -6.378 11.493 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 3.014 -7.208 11.663 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 2.844 -5.858 10.983 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 -3.803 -25.055 -3.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 -4.083 -24.135 -3.163 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 -2.903 -25.065 -3.413 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 -21.714 -14.753 6.137 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 -20.994 -15.183 6.617 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 -21.744 -13.873 6.507 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 13.768 -17.205 -18.897 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 14.478 -16.575 -19.057 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 13.148 -16.735 -18.337 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 11.825 22.335 -24.261 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 12.535 22.445 -24.901 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 11.955 23.055 -23.641 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 9.655 -12.296 8.091 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 10.035 -11.926 8.891 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 10.235 -13.016 7.861 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 -24.725 -8.508 2.969 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 -23.925 -8.188 2.559 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 -24.665 -9.458 2.909 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 16.804 2.364 7.602 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 17.714 2.564 7.802 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 16.574 1.654 8.212 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 5.883 -15.513 18.875 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 6.293 -15.993 18.155 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 5.483 -14.753 18.455 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -9.734 -4.871 -0.845 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -9.654 -5.641 -0.285 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -10.064 -4.181 -0.265 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 -11.469 22.964 9.639 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 -11.489 23.914 9.799 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 -10.549 22.774 9.449 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 7.346 -14.576 -21.139 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 6.926 -14.106 -21.869 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 7.046 -14.106 -20.359 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -16.262 6.192 -13.638 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -16.272 7.072 -13.258 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -16.902 6.242 -14.348 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 -0.954 -0.389 -22.297 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 -0.104 -0.019 -22.547 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 -1.384 -0.579 -23.137 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 24.448 -3.617 24.849 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 25.018 -2.897 24.549 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 24.338 -3.447 25.789 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.069 -13.686 -24.521 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -20.229 -13.366 -24.841 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -21.689 -12.986 -24.731 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 -0.127 -3.253 19.552 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 -0.267 -3.903 20.242 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 0.283 -3.733 18.842 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -2.994 19.380 -15.920 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -3.834 19.470 -15.470 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -3.134 19.810 -16.760 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -4.452 9.005 -8.837 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -5.162 8.385 -8.657 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -3.982 8.605 -9.577 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 -22.029 3.192 -7.721 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 -21.929 3.622 -6.871 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 -22.339 2.312 -7.521 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 15.388 20.645 11.647 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 15.498 21.595 11.587 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 15.228 20.365 10.747 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 3.299 21.932 -17.878 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 2.719 21.222 -18.168 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 3.069 22.672 -18.438 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.140 -20.318 20.269 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -3.180 -21.258 20.449 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.860 -20.158 19.649 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 12.124 15.739 18.248 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 12.994 15.849 18.648 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 12.254 16.019 17.338 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -4.209 8.296 4.215 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -4.759 7.866 3.565 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -3.419 7.746 4.255 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 -1.327 -11.223 -13.205 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 -1.307 -11.033 -14.145 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 -0.407 -11.243 -12.945 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 3.925 -13.705 15.171 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 3.595 -13.035 14.571 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 3.665 -14.535 14.771 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 -17.735 -3.132 -3.647 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 -17.125 -3.082 -2.907 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 -18.145 -3.992 -3.567 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -10.363 -5.447 -24.155 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -11.133 -5.777 -23.685 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -9.753 -5.177 -23.465 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 23.255 -16.857 9.109 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 23.725 -16.707 9.919 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 22.865 -16.017 8.889 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 1.334 4.603 -11.569 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 0.534 4.903 -11.999 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 1.484 3.733 -11.929 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 -23.067 7.315 8.449 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 -23.977 7.445 8.209 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 -22.607 8.085 8.089 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 25.072 15.868 -15.451 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 24.831 15.988 -16.361 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 25.751 16.518 -15.291 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -7.937 18.188 1.606 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -8.217 18.848 0.966 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -7.047 18.448 1.846 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 20.224 -21.851 -1.424 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 20.944 -22.421 -1.694 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 20.524 -21.451 -0.614 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 4.313 17.998 15.505 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 3.383 18.188 15.615 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 4.753 18.838 15.635 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 -9.406 12.268 -5.521 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 -10.106 12.798 -5.151 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 -8.636 12.508 -5.011 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 -20.303 -8.659 -13.311 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 -20.723 -9.199 -12.651 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 -19.613 -8.189 -12.831 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 1.144 -3.019 -24.389 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 1.684 -2.419 -24.899 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 1.484 -3.889 -24.599 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -10.910 -10.127 2.544 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -11.030 -10.317 1.614 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -11.390 -10.827 2.994 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 2.626 6.325 5.367 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 2.196 5.565 5.747 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 2.976 6.805 6.117 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -8.803 -8.149 -6.571 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -8.483 -8.289 -5.681 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -9.513 -8.779 -6.671 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -14.746 -1.406 -19.488 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -15.676 -1.236 -19.348 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -14.656 -2.346 -19.338 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 15.353 22.920 -20.899 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 15.983 23.630 -20.989 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 14.643 23.150 -21.499 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -4.671 2.890 -5.240 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -4.311 2.770 -6.120 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -4.181 3.620 -4.870 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 5.593 1.833 0.687 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 5.533 2.793 0.627 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 5.583 1.533 -0.223 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 -9.550 18.773 5.009 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 -8.960 18.413 4.359 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 -9.680 18.063 5.639 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 -8.565 -18.457 -15.151 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 -8.305 -19.377 -15.211 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 -9.315 -18.457 -14.551 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -3.647 19.751 10.132 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -3.437 20.431 10.772 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -3.357 20.111 9.302 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 13.599 0.209 -13.008 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 13.349 0.799 -13.718 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 13.409 0.699 -12.208 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 14.141 10.836 -19.432 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 14.441 11.636 -19.852 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 14.941 10.436 -19.082 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 16.990 -21.587 19.574 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 16.180 -22.037 19.814 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 17.500 -22.247 19.094 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 18.524 -23.566 2.966 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 17.824 -23.066 2.566 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 19.224 -22.936 3.106 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 -4.126 -22.763 5.041 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 -3.746 -23.613 4.841 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 -4.946 -22.953 5.501 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 17.104 11.505 22.811 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 16.484 11.245 22.131 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 17.864 11.825 22.341 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 14.784 -14.138 9.765 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 13.994 -13.628 9.605 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 15.434 -13.488 10.035 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 0.463 17.782 5.155 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 1.023 17.262 5.745 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 0.853 18.652 5.175 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -2.555 7.348 13.973 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -1.625 7.558 13.973 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -2.985 8.098 13.563 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 15.086 -20.911 5.785 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 15.106 -20.031 5.405 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 14.986 -21.501 5.045 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 -19.724 21.256 17.332 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 -20.194 21.476 16.532 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 -18.834 21.566 17.172 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 -7.921 13.313 22.747 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 -7.791 12.803 23.547 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 -7.041 13.423 22.387 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 -16.104 17.229 -12.092 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 -16.534 18.009 -11.752 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 -16.574 17.039 -12.902 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 20.133 22.409 10.690 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 19.783 23.249 10.990 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 21.083 22.499 10.790 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 -12.436 -12.135 -4.072 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 -13.126 -11.535 -3.812 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 -12.776 -13.005 -3.852 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 13.215 17.173 -22.885 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 13.705 16.353 -22.945 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 12.935 17.353 -23.775 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 14.759 20.487 -3.674 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 14.899 20.547 -2.724 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 15.529 20.017 -3.994 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 -2.177 20.875 4.258 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -2.057 19.955 4.498 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 -3.067 21.085 4.528 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 18.854 -20.660 8.969 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 19.654 -20.280 8.609 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 18.144 -20.270 8.469 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 -9.903 17.525 -24.248 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 -10.663 17.635 -24.818 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 -10.073 18.095 -23.498 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -2.515 2.640 -3.693 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -2.245 3.520 -3.963 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -2.135 2.060 -4.363 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -9.761 -12.788 22.859 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -9.861 -13.528 22.269 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -10.601 -12.328 22.819 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 10.548 -15.612 17.138 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 10.718 -14.692 17.328 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 11.068 -15.792 16.348 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 -10.967 24.661 23.467 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 -11.477 24.381 24.227 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 -11.147 25.601 23.397 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 0.132 21.412 -2.395 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 0.111 22.182 -1.835 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 0.132 21.762 -3.285 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -7.577 14.892 -18.772 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -7.607 13.992 -18.462 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -7.877 14.842 -19.682 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 13.873 15.298 23.119 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 14.303 16.088 23.429 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 14.173 14.608 23.729 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -22.134 -10.472 13.790 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -22.864 -10.122 14.300 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -21.354 -10.262 14.310 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 22.238 -13.812 -8.896 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 21.948 -14.722 -8.876 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 22.438 -13.632 -9.816 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 14.728 5.766 -8.945 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 13.888 6.236 -8.955 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 14.748 5.306 -9.775 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 9.434 -2.192 -21.159 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 9.514 -2.102 -20.209 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 10.184 -2.732 -21.419 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 -13.576 -11.514 -7.500 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 -14.066 -11.284 -8.300 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 -12.866 -12.064 -7.820 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 1.823 15.691 -6.182 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 1.143 15.151 -5.782 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 2.643 15.341 -5.832 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 -10.152 -1.012 23.567 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 -9.332 -0.922 23.077 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 -10.112 -0.322 24.227 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -14.231 -23.547 -22.399 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -14.541 -24.447 -22.549 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -14.411 -23.087 -23.219 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 2.043 1.848 -18.351 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 2.993 1.728 -18.361 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 1.743 1.498 -19.181 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 -11.757 9.561 -0.125 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 -11.217 9.711 -0.905 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 -11.447 10.211 0.515 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 -23.895 -9.223 15.534 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 -24.265 -9.013 16.394 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 -23.935 -8.403 15.044 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 15.223 -17.924 -13.773 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 14.493 -17.494 -13.313 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 15.833 -18.164 -13.073 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 6.817 -13.957 -7.127 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 6.727 -14.307 -8.007 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 7.607 -14.367 -6.787 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 -8.881 -23.147 -2.199 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 -9.491 -23.877 -2.049 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 -8.081 -23.407 -1.749 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -10.773 21.235 25.429 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -11.363 21.885 25.029 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -10.213 20.955 24.709 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 -2.835 -7.561 20.344 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 -3.605 -7.161 20.744 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 -2.095 -7.201 20.824 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 10.980 -18.877 20.732 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 11.840 -18.577 20.462 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 10.400 -18.137 20.532 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -14.770 6.499 16.941 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -15.070 7.389 16.751 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -14.310 6.219 16.151 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 -11.012 24.590 19.467 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 -11.452 24.910 20.257 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 -11.462 23.770 19.267 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 8.386 12.055 -22.407 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 7.676 11.655 -22.917 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 9.046 12.285 -23.057 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 -9.639 -15.775 17.020 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 -10.189 -16.405 16.580 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 -10.239 -15.245 17.560 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 12.158 17.669 23.659 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 12.468 16.809 23.369 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 11.518 17.929 22.999 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -16.256 0.592 -6.798 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -15.336 0.742 -6.998 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -16.256 -0.168 -6.218 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -1.061 16.595 15.729 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -1.691 17.225 16.089 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -1.551 15.785 15.629 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -2.392 -20.744 -8.810 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -2.292 -19.874 -8.410 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -2.772 -20.564 -9.670 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 5.173 -22.453 17.989 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 5.203 -23.363 17.689 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 4.553 -22.453 18.709 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 19.871 24.714 12.212 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 20.741 24.884 11.832 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 19.601 25.554 12.592 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -21.734 14.913 -15.154 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -21.204 15.583 -15.594 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -22.424 14.703 -15.784 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -19.611 -6.915 11.796 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -19.721 -7.795 12.146 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -20.451 -6.485 11.956 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 18.145 -2.891 21.725 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 17.685 -3.091 20.905 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 17.525 -2.351 22.215 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 0.867 -15.187 15.156 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 1.177 -14.327 15.446 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 0.357 -15.517 15.896 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 23.604 21.941 -2.829 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 23.924 22.431 -3.589 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 24.404 21.681 -2.359 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 -3.055 4.537 -7.411 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 -2.125 4.547 -7.641 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 -3.085 4.837 -6.501 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 -10.753 -5.657 18.352 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 -10.023 -5.947 17.812 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 -11.503 -6.157 18.032 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 12.877 -6.897 1.635 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 12.727 -7.837 1.775 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 13.677 -6.707 2.125 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 20.047 -9.143 -14.868 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 20.417 -8.273 -15.028 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 20.257 -9.643 -15.658 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 16.570 16.075 -2.701 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.860 16.045 -3.341 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 16.720 17.005 -2.551 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 -7.140 -22.341 12.042 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 -6.210 -22.571 11.992 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 -7.260 -22.031 12.942 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -19.050 1.472 14.199 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -18.150 1.362 14.489 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -19.460 0.612 14.329 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 17.985 -9.933 1.084 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 17.345 -9.343 0.684 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 18.825 -9.623 0.754 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 8.237 -3.777 -10.429 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 7.967 -2.897 -10.159 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 9.017 -3.957 -9.909 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 7.911 -6.328 13.723 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 7.581 -6.808 14.473 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 8.861 -6.358 13.813 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 -3.491 -9.452 -11.341 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 -2.931 -10.052 -11.821 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 -3.231 -9.562 -10.421 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 -14.442 22.184 -19.138 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 -14.362 21.244 -18.988 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 -15.382 22.334 -19.238 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 13.560 7.005 -0.051 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 13.260 6.115 -0.251 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 14.510 6.955 -0.151 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -25.294 -17.983 -3.110 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -25.344 -18.863 -3.500 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -24.384 -17.733 -3.200 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 16.770 -12.077 -12.045 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 17.160 -12.617 -11.355 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 15.830 -12.137 -11.905 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 19.066 14.227 19.412 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 18.806 13.467 19.922 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 18.276 14.457 18.922 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 -10.024 22.854 -15.639 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 -9.504 22.814 -16.439 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 -10.004 21.964 -15.289 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 -22.519 25.277 -12.954 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 -21.699 24.997 -12.544 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 -23.149 24.597 -12.704 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 10.951 -1.702 -25.341 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 10.711 -1.412 -24.461 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 10.971 -0.892 -25.851 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 -0.162 -17.765 -8.474 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 -0.902 -18.255 -8.114 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 0.518 -18.425 -8.624 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 -2.796 -14.015 25.026 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 -2.356 -13.165 24.966 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 -3.286 -14.085 24.216 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 -4.932 5.368 -12.861 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 -5.392 5.118 -12.061 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 -4.122 5.778 -12.571 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 -12.433 11.730 -6.623 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 -12.863 10.880 -6.613 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 -12.043 11.820 -5.753 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -7.376 11.416 -8.658 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -6.556 11.906 -8.628 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -7.556 11.196 -7.738 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 3.859 -13.259 0.631 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 4.179 -13.539 -0.229 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 3.519 -14.069 1.021 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 8.140 9.847 -8.058 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 7.300 9.437 -7.888 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 8.180 9.947 -9.008 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 21.333 -7.735 -24.978 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 20.873 -7.835 -25.818 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 22.043 -8.375 -25.018 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 21.932 -22.823 2.912 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 22.301 -21.963 3.132 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 22.391 -23.433 3.492 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 10.007 24.305 22.172 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 9.777 23.405 21.922 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 10.667 24.185 22.872 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.360 5.368 -0.433 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 10.530 5.318 -0.893 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 11.190 5.968 0.297 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 21.905 18.138 -7.428 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 21.765 17.188 -7.358 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 22.275 18.388 -6.588 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 7.755 20.442 25.058 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 7.825 19.722 24.418 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 8.085 21.202 24.598 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 10.954 4.475 -9.655 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 10.074 4.865 -9.575 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 11.504 4.995 -9.065 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 -16.679 -14.551 12.226 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 -17.399 -13.921 12.266 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 -16.049 -14.231 12.866 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 -11.073 -19.505 -11.866 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 -11.633 -20.255 -12.066 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 -11.613 -18.965 -11.286 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 -2.887 6.671 7.322 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 -3.177 5.891 7.802 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 -3.537 7.341 7.552 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 21.160 -3.617 18.322 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 21.020 -4.537 18.092 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 21.790 -3.637 19.032 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 -5.785 -23.465 -0.149 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 -5.345 -24.305 -0.029 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 -5.885 -23.385 -1.099 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 -0.591 23.411 22.669 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 -1.071 24.171 22.999 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 -0.061 23.751 21.949 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 -3.643 20.877 -5.923 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 -3.443 21.737 -5.563 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 -3.573 20.287 -5.173 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 15.516 12.637 -15.714 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 15.266 13.547 -15.584 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 15.326 12.207 -14.884 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 20.685 20.308 -13.735 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 21.165 20.988 -14.205 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 21.365 19.758 -13.345 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 -19.884 -5.887 -18.791 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 -19.154 -5.817 -18.171 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 -20.544 -6.377 -18.311 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 3.804 7.764 3.568 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 3.234 8.524 3.688 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 3.364 7.054 4.028 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 9.051 -15.974 -13.043 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 9.831 -15.924 -12.483 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 9.341 -16.464 -13.813 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -9.069 8.823 -19.636 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -9.279 7.893 -19.696 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -8.589 8.913 -18.816 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 22.387 -15.750 23.385 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 22.857 -15.160 22.805 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 22.997 -16.470 23.555 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 2.848 9.307 12.622 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 2.868 8.707 11.882 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 3.348 10.067 12.332 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 -23.952 25.351 -25.421 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 -23.772 24.571 -24.901 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 -24.862 25.571 -25.231 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 3.099 -13.612 7.839 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 3.809 -14.232 7.709 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 2.389 -14.122 8.219 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -14.111 4.485 23.629 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -13.521 4.905 24.259 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -14.981 4.605 23.999 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 -11.417 12.122 20.674 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 -12.337 11.992 20.904 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 -11.157 12.892 21.184 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 3.459 21.565 -0.153 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 3.839 21.885 0.667 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 2.689 22.105 -0.283 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 23.465 10.934 14.369 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 23.045 10.404 13.689 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 23.015 10.684 15.179 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 -6.306 17.440 -16.657 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 -6.066 16.810 -15.967 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 -6.736 16.900 -17.327 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 -21.853 9.983 -18.417 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 -21.743 9.543 -19.257 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 -22.793 10.143 -18.347 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 24.291 -23.185 -14.948 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 24.361 -22.895 -14.048 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 24.761 -22.515 -15.458 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 18.136 13.366 8.919 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 17.356 13.036 9.339 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 18.776 12.656 8.989 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 15.894 -14.015 0.969 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 16.274 -14.885 0.839 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 16.514 -13.575 1.549 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -14.476 4.326 -1.729 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -15.096 3.656 -1.439 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -14.106 4.666 -0.909 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 22.516 -0.975 12.949 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 22.256 -1.615 13.619 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 21.706 -0.515 12.729 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 4.123 -18.599 -13.785 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 3.993 -17.819 -14.325 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 4.823 -18.359 -13.175 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 -0.729 20.665 15.103 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 -1.469 20.865 15.683 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 -0.809 19.725 14.943 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 19.306 -25.094 -0.136 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 18.896 -25.204 -0.996 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 18.756 -24.454 0.314 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 -12.320 -3.132 1.071 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 -12.240 -2.562 0.311 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 -13.020 -3.752 0.841 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -7.184 -24.038 -15.191 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -6.694 -23.948 -16.011 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -6.824 -24.828 -14.791 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 15.335 -9.927 -13.215 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 16.215 -10.317 -13.245 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 14.825 -10.437 -13.845 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -5.507 -19.572 -3.839 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -4.927 -18.862 -4.109 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -6.067 -19.722 -4.609 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 13.418 18.450 10.557 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 13.588 19.250 11.057 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 14.048 17.810 10.897 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.145 -15.617 -8.343 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.805 -16.217 -8.703 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.945 -15.967 -7.473 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 -18.872 -3.120 18.639 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 -18.982 -2.250 19.009 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 -18.472 -3.630 19.349 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 -25.065 -2.160 -9.038 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 -25.925 -2.470 -9.338 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 -24.435 -2.550 -9.638 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 -23.467 -0.540 -1.655 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 -23.517 0.270 -1.155 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 -24.377 -0.770 -1.835 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 -16.009 22.117 -1.171 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 -15.859 22.627 -1.971 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 -15.239 21.547 -1.111 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 22.631 24.911 -6.829 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 22.101 24.921 -7.619 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 22.211 24.261 -6.269 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 4.660 -21.324 7.266 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 4.620 -20.924 8.136 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 5.030 -22.194 7.426 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -4.833 12.090 -11.794 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -5.483 12.630 -12.244 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -4.503 11.500 -12.474 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -3.780 8.720 -21.724 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -3.250 8.710 -20.924 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -3.300 9.300 -22.314 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 18.800 -18.760 19.159 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 18.760 -19.640 19.529 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 19.410 -18.820 18.429 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 -16.547 -7.170 13.242 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 -17.107 -7.900 13.492 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 -17.017 -6.730 12.532 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 1.841 -24.054 -13.671 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 1.501 -23.204 -13.381 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 1.541 -24.674 -13.021 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 18.915 -18.307 -16.841 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 18.135 -17.757 -16.871 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 19.415 -17.977 -16.101 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 3.724 -23.931 4.836 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 3.314 -23.261 4.296 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 3.914 -23.481 5.666 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 1.641 -0.931 -22.561 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 2.531 -1.281 -22.451 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 1.091 -1.551 -22.081 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -8.607 -9.097 24.422 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -9.097 -9.677 25.012 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -8.067 -8.567 25.002 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -17.205 -24.514 8.883 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -17.235 -25.464 8.803 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -18.115 -24.234 8.853 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 15.733 22.734 -12.921 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 16.433 22.654 -12.271 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 15.313 23.574 -12.711 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -4.422 16.891 -19.081 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -4.532 15.941 -19.121 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -5.002 17.171 -18.371 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -4.911 -1.635 18.359 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -4.671 -2.035 17.519 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -5.851 -1.465 18.279 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -25.229 10.371 20.239 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -24.389 9.921 20.329 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -24.999 11.291 20.109 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 -19.782 -16.789 14.164 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 -20.322 -17.089 14.884 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 -19.262 -17.549 13.924 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 -18.505 8.246 -11.345 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 -18.455 9.096 -11.785 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 -17.595 8.026 -11.145 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 9.431 -15.611 11.246 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 9.531 -16.541 11.446 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 9.501 -15.561 10.286 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 11.825 -24.881 -3.224 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 11.455 -24.061 -2.914 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 11.095 -25.341 -3.624 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 -11.867 -17.908 15.485 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 -11.827 -18.388 14.655 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 -12.787 -17.908 15.725 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 -10.176 16.042 11.874 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 -10.866 16.182 11.224 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 -10.466 16.532 12.644 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 11.387 18.029 -12.173 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 12.047 18.709 -12.283 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 10.587 18.419 -12.523 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -9.495 -15.001 -7.885 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -8.535 -15.031 -7.945 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -9.705 -15.621 -7.195 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 1.757 -24.508 17.064 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 0.817 -24.588 16.904 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 2.137 -24.388 16.194 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 -18.324 -22.127 10.694 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 -19.244 -22.017 10.924 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 -18.004 -21.237 10.564 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 7.660 15.048 12.329 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 7.420 15.368 13.199 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 8.340 14.398 12.479 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 -19.945 5.198 -21.131 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 -19.145 4.708 -20.951 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 -19.645 6.098 -21.281 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 14.279 -3.927 -16.913 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 13.999 -3.487 -17.723 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 14.509 -3.217 -16.323 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 3.245 12.954 -17.748 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 3.315 13.204 -18.668 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 2.315 12.764 -17.628 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -5.985 21.344 10.411 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -6.925 21.254 10.251 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -5.935 21.784 11.261 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -14.976 12.082 -10.628 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -14.486 12.282 -9.838 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -15.216 11.152 -10.538 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -11.245 -24.577 15.978 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -12.155 -24.337 15.778 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -10.725 -23.847 15.628 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 12.736 20.238 22.509 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 13.646 20.528 22.559 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 12.606 19.698 23.289 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 15.123 -13.630 21.545 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 14.933 -14.570 21.595 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 15.903 -13.520 22.095 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 -5.536 -2.311 6.582 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 -6.196 -2.601 5.962 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 -4.746 -2.191 6.052 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 23.720 -11.417 15.010 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 24.640 -11.157 14.970 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 23.750 -12.367 15.160 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 -9.576 -17.388 21.309 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 -9.626 -16.438 21.269 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 -9.896 -17.678 20.449 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 15.564 8.103 18.102 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 15.574 7.173 17.852 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 16.104 8.143 18.892 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 18.909 -4.479 14.778 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 18.039 -4.259 14.438 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 18.819 -4.419 15.728 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -0.301 -16.673 -20.608 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 0.129 -17.523 -20.458 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -0.051 -16.433 -21.498 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 -7.350 -16.937 -4.205 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 -7.520 -16.997 -3.265 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 -6.540 -16.437 -4.275 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 -22.336 -11.129 -0.788 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 -22.006 -10.649 -1.548 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 -23.276 -11.249 -0.968 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 6.494 2.135 -22.944 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 6.754 3.055 -22.964 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 5.644 2.115 -23.364 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 17.017 7.835 -13.735 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 17.627 7.285 -13.245 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 16.787 8.535 -13.135 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -10.709 14.208 1.192 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -11.099 14.478 0.362 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -9.939 13.698 0.932 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 12.235 -7.731 -18.734 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 12.605 -7.241 -18.004 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 11.295 -7.721 -18.584 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 21.838 8.381 -0.962 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 20.988 8.811 -0.892 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 22.128 8.581 -1.852 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 1.049 -12.460 10.659 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 0.749 -13.260 10.229 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 1.729 -12.110 10.089 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 11.909 -9.207 21.137 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 12.729 -8.707 21.127 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 11.259 -8.617 20.747 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 8.083 13.509 20.932 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 8.233 14.159 21.612 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 8.313 12.669 21.342 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -19.354 14.503 -3.281 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -18.884 13.703 -3.041 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -19.394 14.473 -4.241 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 -5.831 3.624 17.315 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 -5.341 3.894 18.095 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 -5.801 4.374 16.735 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 -20.514 -18.579 10.836 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 -20.474 -18.899 9.936 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 -20.704 -17.639 10.756 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -23.546 5.784 -5.658 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -22.896 6.484 -5.708 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -24.356 6.224 -5.418 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 4.005 4.346 -13.138 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 3.225 4.366 -12.578 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 3.665 4.116 -14.008 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 0.430 13.297 -21.788 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 1.070 12.657 -21.488 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 -0.390 13.037 -21.378 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -18.134 -20.104 -17.516 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -17.244 -19.774 -17.626 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -18.304 -20.044 -16.576 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -6.174 17.152 -4.622 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -5.484 17.362 -5.242 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -6.394 17.992 -4.212 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 24.281 -0.486 -1.961 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 23.491 -0.646 -1.431 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 23.941 -0.176 -2.801 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -6.701 -20.684 0.791 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -5.841 -20.814 0.401 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -7.141 -21.534 0.681 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -0.279 6.071 -24.649 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 0.651 6.251 -24.499 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -0.569 6.761 -25.239 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 16.863 2.873 0.056 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 17.183 2.983 0.956 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 17.363 2.143 -0.284 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 16.019 -24.525 23.977 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 16.089 -23.595 23.757 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 15.979 -24.975 23.127 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -8.302 -24.965 9.341 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -7.632 -25.365 9.891 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -7.892 -24.175 8.991 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 19.903 0.982 22.047 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 20.763 0.932 21.637 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 19.393 1.552 21.467 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 -3.889 24.476 21.569 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 -4.379 24.926 20.879 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 -4.529 24.316 22.259 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -14.122 22.890 -12.559 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -14.112 23.670 -11.999 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -14.642 22.250 -12.069 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 21.843 17.125 20.795 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 21.773 16.175 20.815 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 21.873 17.385 21.715 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 12.846 -0.491 12.172 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 13.146 -1.361 12.432 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 13.526 0.099 12.492 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -16.446 3.505 -25.378 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -15.816 3.895 -24.778 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -17.206 3.295 -24.838 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 8.667 6.865 19.712 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 8.997 7.405 20.432 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.327 6.945 19.022 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 5.931 7.475 1.748 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 5.991 8.425 1.808 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 5.171 7.245 2.298 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 -11.255 -6.591 -14.454 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 -10.435 -6.581 -13.964 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 -11.225 -5.781 -14.964 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -15.466 -11.807 9.483 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -16.186 -12.377 9.193 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -15.876 -11.207 10.113 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 7.294 -18.165 20.437 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 7.024 -17.855 21.297 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 7.674 -17.395 20.007 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 24.025 22.708 7.621 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 24.465 21.908 7.881 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 23.155 22.428 7.341 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -23.836 -14.286 -3.687 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -24.496 -14.466 -3.017 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -23.126 -13.856 -3.217 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 22.557 15.821 -14.276 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 22.117 15.021 -14.556 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 23.407 15.781 -14.726 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -15.409 -2.979 -8.044 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -14.939 -3.729 -7.684 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -16.269 -3.309 -8.274 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 -10.307 -4.042 20.360 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 -10.547 -4.212 19.450 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 -10.937 -4.532 20.880 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 -15.907 24.551 24.113 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 -15.867 24.571 25.073 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 -15.607 25.421 23.843 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 12.015 4.613 -12.899 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 11.945 4.883 -13.819 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 11.105 4.433 -12.639 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 -9.310 -8.200 4.316 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 -8.960 -9.090 4.266 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 -10.220 -8.290 4.016 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -14.624 7.515 -2.876 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -14.874 6.835 -3.506 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -14.024 7.075 -2.276 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 20.774 7.747 -13.164 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 20.034 7.247 -12.814 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 21.214 7.137 -13.754 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -17.772 2.595 -3.751 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -18.182 2.655 -4.611 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -18.272 3.195 -3.201 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -3.854 1.912 24.361 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -4.704 1.492 24.301 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -3.994 2.672 24.911 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 14.160 -6.667 -21.004 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 14.960 -6.407 -20.544 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 13.460 -6.507 -20.374 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -5.851 12.593 -1.245 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -5.521 13.013 -2.035 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -5.441 13.073 -0.525 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 -13.285 18.312 -10.430 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 -12.535 18.022 -9.910 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 -13.125 19.242 -10.580 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 1.073 20.382 -7.464 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 1.503 20.662 -8.264 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 1.113 19.422 -7.504 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -2.346 -4.113 21.779 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -3.176 -4.203 21.309 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -2.296 -3.183 21.999 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 9.451 4.345 -19.484 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 9.421 3.565 -20.034 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 8.721 4.885 -19.794 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 11.583 11.415 -3.591 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 10.673 11.685 -3.731 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 11.983 11.455 -4.451 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -16.214 11.823 6.181 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -15.504 12.163 5.651 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -15.834 11.683 7.051 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 -4.899 -4.332 -3.215 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 -5.239 -4.762 -4.005 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 -4.629 -3.462 -3.515 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 -9.906 -24.397 -14.918 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 -10.386 -24.097 -15.688 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 -8.986 -24.367 -15.168 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 -13.896 -21.439 13.455 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 -14.816 -21.219 13.305 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 -13.786 -22.319 13.085 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -14.915 -7.234 -24.681 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -14.065 -6.824 -24.511 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -14.825 -8.124 -24.331 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -15.159 9.417 -10.645 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -15.489 8.617 -10.255 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -14.279 9.517 -10.275 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 8.079 10.920 22.401 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 7.169 11.000 22.131 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 8.079 11.170 23.331 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 15.603 9.722 8.966 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 14.803 9.272 9.236 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 15.333 10.632 8.836 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -20.146 6.641 -16.498 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.376 5.721 -16.598 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.546 6.661 -15.758 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 1.317 -17.903 20.699 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 0.417 -17.623 20.519 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 1.407 -18.743 20.249 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 9.780 19.415 1.836 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 10.390 19.025 2.456 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 8.930 19.055 2.086 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 -24.300 7.631 -14.709 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 -24.520 7.581 -13.779 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 -25.110 7.921 -15.129 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 9.107 22.651 5.496 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 8.607 22.051 4.946 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 9.677 22.091 6.016 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 18.956 15.995 -8.984 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 18.086 15.915 -9.374 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 19.466 16.475 -9.644 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 -13.733 16.202 -21.050 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 -13.643 17.152 -21.110 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 -13.033 15.932 -20.470 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -11.437 9.192 -21.141 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -11.787 8.522 -20.551 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -10.487 9.172 -20.981 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 24.595 1.851 16.939 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 25.275 1.921 16.259 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 25.025 2.181 17.729 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 13.436 -5.360 4.549 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 14.136 -4.800 4.879 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 13.466 -6.130 5.119 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 -22.180 -25.227 -20.331 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 -21.270 -25.087 -20.061 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 -22.700 -24.757 -19.681 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 10.908 17.362 -9.254 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 10.638 16.472 -9.474 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 11.088 17.772 -10.094 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -21.187 -16.134 3.760 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -21.677 -15.994 4.570 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -20.277 -15.934 3.980 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -15.260 4.152 -16.017 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -16.140 4.422 -15.747 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -15.290 3.192 -15.987 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -10.185 11.194 -17.684 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -10.925 10.704 -17.334 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -9.805 10.614 -18.344 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 4.206 5.133 18.684 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 3.386 5.253 19.164 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 4.776 4.663 19.294 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -1.452 -10.217 21.577 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -1.202 -9.417 21.117 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -1.412 -10.897 20.907 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 -12.062 -3.057 -3.494 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 -12.282 -3.157 -4.424 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 -12.862 -2.717 -3.094 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -0.497 7.895 -14.107 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -0.577 7.675 -15.037 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -0.267 7.075 -13.687 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 -2.612 20.669 7.519 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 -2.332 21.279 6.839 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 -1.872 20.059 7.609 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 1.041 -20.995 -6.288 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 0.841 -21.655 -6.958 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 1.971 -21.095 -6.118 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 15.035 -22.209 15.585 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 14.565 -22.099 14.755 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 14.755 -21.469 16.115 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 19.355 13.515 12.499 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 19.585 12.715 12.029 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 20.185 13.975 12.609 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -22.994 3.073 6.804 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -22.064 3.213 6.954 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -23.284 3.853 6.324 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 7.506 -14.196 -14.220 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 6.756 -14.786 -14.340 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 7.806 -14.366 -13.320 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 23.178 3.009 -15.461 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 23.978 3.109 -15.981 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 23.428 3.309 -14.581 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 5.251 9.651 -22.057 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 4.391 9.551 -21.657 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 5.851 9.731 -21.317 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -4.571 22.724 12.474 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -4.371 23.594 12.124 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -4.691 22.854 13.414 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 0.547 -25.103 10.262 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 1.247 -25.403 10.842 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 0.997 -24.903 9.432 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -8.619 -14.022 -19.255 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -8.559 -13.762 -18.335 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -7.769 -13.792 -19.625 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -22.295 -10.521 21.692 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -21.775 -10.911 20.992 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -23.185 -10.501 21.362 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 2.265 -20.483 -20.750 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 3.165 -20.763 -20.940 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 1.925 -21.163 -20.170 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -3.179 8.750 -18.165 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -4.009 9.170 -17.955 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -3.409 7.830 -18.295 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 9.751 14.206 -2.736 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 10.321 14.956 -2.566 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 8.861 14.526 -2.606 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -16.557 -1.777 -5.623 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -16.437 -2.257 -6.433 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -17.007 -2.397 -5.043 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 -16.892 17.094 17.438 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 -16.272 17.614 16.928 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 -17.692 17.614 17.448 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.035 11.128 -24.013 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -8.625 11.508 -23.233 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.295 10.788 -24.523 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 17.847 -1.870 -15.311 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 17.367 -1.530 -14.561 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 17.937 -1.120 -15.901 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 -24.765 -6.390 4.997 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 -24.255 -7.150 4.727 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 -25.005 -5.960 4.177 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 21.403 -13.564 20.815 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 21.043 -12.674 20.775 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 21.943 -13.644 20.035 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 -19.035 -0.638 -3.963 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 -18.545 -1.458 -3.973 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 -18.475 -0.018 -4.433 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 14.627 20.209 5.624 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 14.537 21.119 5.904 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 15.477 20.169 5.194 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -12.791 -6.404 16.085 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -12.431 -6.224 15.215 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -13.561 -5.834 16.145 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -13.606 -17.821 4.926 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -13.946 -18.701 5.066 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -13.446 -17.481 5.816 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 15.356 2.089 -16.428 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 14.596 2.389 -16.928 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 15.686 2.889 -16.008 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 6.250 4.254 -16.489 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 6.720 4.144 -17.309 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 6.710 4.964 -16.029 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 -18.145 -23.480 14.659 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 -18.385 -24.380 14.449 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 -18.925 -22.970 14.429 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -13.452 2.744 14.209 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -14.092 2.774 14.919 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -12.722 3.264 14.519 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 -2.063 13.654 -20.973 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 -1.863 13.994 -21.843 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 -2.223 14.424 -20.443 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 15.247 23.511 18.857 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 15.607 24.321 18.507 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 15.217 23.651 19.807 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 21.719 -0.262 20.085 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 21.309 -1.122 19.945 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 22.439 -0.232 19.455 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 20.437 19.740 -23.728 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 20.607 20.580 -24.168 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 20.297 19.120 -24.448 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 7.936 0.231 -3.884 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 8.786 0.671 -3.954 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 8.136 -0.629 -3.534 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 -6.910 13.851 -12.110 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 -7.750 14.301 -12.260 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 -7.110 13.211 -11.420 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 22.885 -22.101 22.113 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 23.335 -22.871 22.453 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 22.815 -22.261 21.173 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 -2.935 -19.733 -22.895 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 -2.355 -20.303 -22.395 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 -2.405 -18.953 -23.075 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -12.995 9.565 -3.881 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -13.185 8.715 -3.491 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -12.205 9.865 -3.421 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 18.518 -23.791 -8.684 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 18.978 -24.631 -8.704 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 17.848 -23.901 -8.014 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 -1.833 -21.226 -18.081 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 -1.853 -21.316 -19.031 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 -1.713 -22.116 -17.751 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 18.651 0.398 -23.072 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 17.971 -0.242 -22.862 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 18.311 0.868 -23.842 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 -7.625 -22.562 -4.926 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 -6.805 -22.872 -5.296 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 -7.775 -23.132 -4.166 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 7.778 19.351 20.070 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 8.358 19.791 19.460 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 7.538 18.531 19.630 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 16.388 23.398 9.551 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 17.298 23.338 9.241 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 16.068 24.218 9.191 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 22.644 -5.541 23.840 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 23.374 -4.961 24.030 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 22.494 -6.021 24.660 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 -1.834 14.254 6.911 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 -1.964 15.134 7.281 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 -2.694 14.014 6.561 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -19.032 -0.947 3.596 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -19.642 -1.457 3.076 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -19.422 -0.067 3.636 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 -11.207 7.591 -16.258 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 -12.007 7.891 -15.828 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 -10.957 6.811 -15.768 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 7.149 -0.550 11.966 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 7.019 -0.970 11.116 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 7.989 -0.890 12.276 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -0.091 -6.459 21.231 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 0.079 -6.449 22.171 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 0.759 -6.289 20.821 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 -1.581 18.357 -23.858 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 -1.151 18.087 -23.048 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 -2.451 18.647 -23.578 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -22.230 -7.689 -14.916 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -22.350 -8.579 -15.256 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -21.360 -7.699 -14.526 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -5.194 12.489 2.019 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 -6.144 12.389 1.969 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -4.914 11.849 2.679 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 2.429 8.698 -19.124 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 2.399 7.918 -18.564 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 1.589 9.128 -18.964 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 -7.895 -24.695 1.168 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 -8.585 -25.075 1.718 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 -8.015 -23.755 1.258 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 -3.271 -24.298 -12.401 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 -3.531 -24.578 -11.521 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 -2.331 -24.478 -12.441 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -2.426 -11.170 4.883 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -2.346 -10.780 4.013 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -3.306 -10.910 5.173 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 12.500 11.205 -6.655 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 12.190 11.415 -7.545 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 12.560 10.255 -6.645 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 4.025 8.780 -5.158 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 4.135 8.360 -4.308 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 3.815 9.690 -4.948 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 22.280 12.511 -9.814 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 23.020 13.111 -9.754 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 21.540 12.991 -9.434 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 -3.766 5.777 -25.284 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 -3.886 6.547 -25.844 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 -3.016 5.997 -24.734 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.896 -19.246 -1.288 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.796 -19.436 -2.218 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -19.846 -18.296 -1.218 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 16.607 -22.682 -17.978 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 16.117 -23.412 -17.598 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 17.437 -22.682 -17.518 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 13.645 -19.668 12.635 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 12.915 -19.168 12.995 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 13.235 -20.248 11.995 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 17.731 23.505 -11.028 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 17.381 22.775 -10.518 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 18.681 23.395 -10.998 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 -22.757 -1.898 -24.325 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 -22.037 -1.828 -23.695 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 -23.437 -1.318 -23.965 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.228 15.067 2.249 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.588 15.387 3.069 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 12.978 14.977 1.669 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 -2.750 17.903 -12.625 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 -3.070 17.353 -13.345 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 -3.080 17.483 -11.835 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 15.061 14.128 4.339 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 14.631 13.298 4.169 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 15.701 13.938 5.029 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 16.125 18.947 21.731 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 17.055 18.727 21.681 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 16.015 19.687 21.131 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 15.224 -2.377 0.484 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 15.944 -1.837 0.804 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 15.194 -2.207 -0.456 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 3.103 -9.578 -0.365 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 2.413 -10.198 -0.615 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 3.163 -9.658 0.585 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 10.941 -14.789 7.516 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 10.961 -15.749 7.576 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 11.851 -14.539 7.396 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 -2.224 8.771 17.584 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 -2.794 9.531 17.484 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 -1.474 9.101 18.074 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 -9.103 -3.364 2.846 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 -9.673 -3.704 3.526 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 -9.673 -2.844 2.276 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 23.937 -16.012 1.256 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 23.497 -16.042 2.106 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 24.547 -16.742 1.266 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 16.426 10.174 4.787 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 16.126 9.404 5.277 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 16.066 10.054 3.917 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 23.437 -18.740 24.547 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 22.927 -18.950 23.757 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 23.467 -19.570 25.027 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 17.177 -23.451 14.465 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 16.307 -23.321 14.835 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 17.347 -24.391 14.565 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 -11.656 -3.302 -6.358 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 -11.056 -3.952 -5.998 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 -12.246 -3.802 -6.928 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -8.989 12.993 10.629 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -9.159 12.213 10.109 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -9.289 12.763 11.509 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 -17.163 -6.039 -14.455 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 -17.443 -6.909 -14.755 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 -17.433 -5.999 -13.545 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 -5.599 -12.900 13.081 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 -5.719 -12.030 12.711 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 -5.329 -13.440 12.341 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -19.531 10.065 20.055 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -18.991 9.395 19.625 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -19.461 10.835 19.485 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 10.437 -14.422 -15.785 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 9.487 -14.402 -15.825 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 10.707 -13.512 -15.925 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 9.591 20.591 -16.998 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 8.861 20.261 -17.508 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 9.751 21.461 -17.348 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 15.575 22.511 -5.828 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 15.155 21.741 -5.458 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 16.245 22.751 -5.188 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 -23.596 -12.594 19.781 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 -24.056 -13.324 19.361 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 -23.406 -11.984 19.071 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 18.996 3.784 -2.124 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 19.526 3.144 -1.634 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 18.136 3.384 -2.184 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 22.963 1.125 1.506 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.613 0.245 1.346 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 23.143 1.145 2.446 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 11.005 -8.735 24.832 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 10.765 -8.125 24.132 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 11.055 -9.585 24.392 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 11.475 4.729 2.337 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 12.275 4.599 1.817 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 11.305 5.669 2.287 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 -1.681 19.610 24.269 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 -2.601 19.460 24.079 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 -1.601 19.530 25.219 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 -17.520 -16.296 19.389 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 -17.690 -17.196 19.669 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 -18.040 -15.756 19.999 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 3.770 -6.583 20.152 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 3.740 -7.273 19.492 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 4.680 -6.563 20.442 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 -11.215 18.160 -8.659 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 -10.955 17.240 -8.789 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 -11.155 18.290 -7.719 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 -24.865 -16.761 -12.518 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 -24.385 -16.331 -13.228 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 -25.785 -16.751 -12.808 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 0.810 20.721 3.463 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 1.170 21.201 2.713 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -0.130 20.911 3.433 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -12.385 18.911 -16.845 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -13.085 18.291 -17.035 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -11.885 18.961 -17.655 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -16.063 8.883 -13.325 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -15.503 9.193 -12.615 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -16.043 9.583 -13.975 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 -14.564 16.367 -4.167 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 -15.474 16.187 -3.937 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 -14.174 16.697 -3.357 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 0.761 24.763 5.455 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 0.041 24.963 6.065 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 0.321 24.543 4.635 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 19.084 -24.152 20.153 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 19.104 -23.232 19.903 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 18.784 -24.142 21.063 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 15.233 -15.244 14.542 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 15.963 -15.604 15.042 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 15.393 -14.294 14.542 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 19.443 11.232 8.328 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 18.993 10.652 8.938 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 18.933 11.162 7.518 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 21.284 -16.846 -24.633 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 21.764 -17.576 -25.033 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 21.024 -16.306 -25.373 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 14.966 -17.980 -3.794 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 15.426 -17.150 -3.644 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 14.326 -17.780 -4.474 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -4.881 6.993 1.863 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -4.111 6.953 1.293 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -5.591 7.243 1.273 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 -14.124 -18.540 -25.399 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 -13.604 -17.770 -25.159 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 -14.334 -18.960 -24.569 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 -6.510 -23.427 -11.785 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 -5.900 -22.707 -11.915 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 -7.380 -23.027 -11.825 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 22.997 7.545 11.659 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 23.857 7.715 11.269 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 23.187 7.345 12.579 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 10.311 0.825 -13.614 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 10.511 1.705 -13.944 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 10.981 0.655 -12.944 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 -12.676 -12.216 11.467 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 -13.446 -11.646 11.417 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 -12.326 -12.226 10.577 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 10.226 -23.587 -6.144 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 10.566 -22.707 -5.954 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 10.986 -24.167 -6.024 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 2.758 -22.244 -9.706 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 3.288 -21.454 -9.776 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 1.968 -22.044 -10.216 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -14.109 -10.037 -13.847 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -15.019 -10.317 -13.857 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -14.009 -9.507 -14.637 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 -21.484 -14.585 -20.147 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 -21.114 -14.395 -19.277 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 -21.974 -15.395 -20.027 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 4.037 23.112 -3.008 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 3.877 22.402 -2.388 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 4.787 22.812 -3.528 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 -14.775 -21.159 -11.114 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 -14.845 -20.289 -10.724 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 -15.355 -21.709 -10.594 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 7.806 -2.598 20.367 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 7.906 -2.418 19.427 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 7.596 -3.528 20.397 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 10.756 -20.310 -22.961 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 10.296 -21.040 -22.561 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 11.206 -20.680 -23.721 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.614 11.124 -11.435 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.164 11.884 -11.815 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -11.514 11.194 -11.755 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -5.629 2.523 9.607 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -5.389 1.733 9.117 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -5.989 2.193 10.427 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 20.093 13.024 1.429 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 20.793 12.364 1.449 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 19.553 12.814 2.189 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 8.141 4.380 14.105 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 7.951 4.270 13.175 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 7.351 4.790 14.455 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 23.227 22.251 -14.573 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 23.477 22.961 -15.173 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 24.047 21.811 -14.373 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -20.649 -10.873 24.923 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -19.889 -10.703 25.483 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -20.479 -10.373 24.123 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -19.000 1.743 24.530 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -18.100 1.433 24.460 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -19.440 1.063 25.050 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 19.501 24.189 -7.491 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 19.641 24.159 -6.541 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 19.281 23.289 -7.731 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 15.481 21.091 17.089 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 16.411 21.291 17.209 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 15.021 21.831 17.479 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -11.393 23.772 -5.732 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -12.173 24.152 -5.332 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -11.703 22.972 -6.142 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 6.329 4.875 -19.898 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 5.989 5.765 -20.008 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 5.579 4.305 -20.058 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.884 4.685 -9.529 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 7.864 5.225 -8.739 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 6.994 4.725 -9.879 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -17.340 -7.012 -0.399 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -16.470 -6.952 -0.789 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -17.280 -6.492 0.401 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -14.384 22.476 16.384 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -13.694 22.526 17.044 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -14.284 21.596 16.004 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -19.736 -16.197 -13.027 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -20.436 -16.207 -13.677 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -20.186 -16.187 -12.177 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -11.046 -18.507 -14.285 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -11.616 -17.757 -14.405 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -11.076 -18.677 -13.345 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 -6.096 -20.611 25.128 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 -6.346 -21.451 24.728 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 -6.056 -20.001 24.388 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -4.775 19.943 20.167 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -5.735 19.953 20.137 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -4.535 19.063 19.887 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 -5.618 -15.031 -5.581 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 -6.269 -14.581 -6.111 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 -4.999 -15.411 -6.211 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 -4.631 -20.090 -1.095 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 -5.331 -20.040 -1.745 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 -4.031 -19.380 -1.315 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -1.880 -3.186 -2.630 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -2.140 -2.336 -2.960 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.270 -3.816 -3.230 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.684 14.437 23.445 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 9.204 13.677 23.685 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.324 15.147 23.345 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -1.312 -17.697 21.852 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -1.822 -18.477 21.642 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -0.552 -18.017 22.322 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 -11.367 4.212 -1.925 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 -12.267 4.122 -2.245 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 -10.947 3.392 -2.165 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -21.277 1.172 -20.639 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -21.007 0.892 -19.769 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.957 0.562 -20.899 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 12.673 -24.665 -17.553 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 11.763 -24.805 -17.283 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 13.193 -24.875 -16.773 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 -21.320 23.687 3.514 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 -21.500 24.007 2.634 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 -20.570 23.097 3.414 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 -14.816 -6.849 -1.408 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 -14.226 -7.609 -1.348 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 -14.406 -6.199 -0.838 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -4.417 18.915 24.580 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -5.117 18.315 24.350 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -4.707 19.335 25.390 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -11.391 6.834 17.670 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -12.211 6.934 17.170 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -11.651 7.034 18.570 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 11.844 6.269 -18.134 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 11.234 5.609 -18.464 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 12.274 6.609 -18.914 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 -24.765 0.726 6.045 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 -24.365 1.576 6.235 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 -24.075 0.096 6.225 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 2.651 5.008 -5.850 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 3.221 4.488 -5.290 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 3.101 5.848 -5.940 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 16.704 9.605 12.989 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 16.854 9.925 12.099 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 17.374 8.935 13.119 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 6.034 -8.820 23.842 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 5.634 -8.930 22.972 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 6.234 -7.880 23.902 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 4.731 2.400 -8.240 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 5.041 1.510 -8.410 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.531 2.900 -8.080 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 5.858 -13.541 2.390 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 5.268 -13.241 1.710 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 5.508 -13.161 3.200 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 -7.941 -2.037 -19.200 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 -7.391 -1.517 -18.620 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 -8.161 -2.817 -18.690 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 20.957 -7.231 15.684 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 21.187 -7.971 15.134 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 20.497 -7.611 16.434 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 5.927 -19.128 -16.465 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 5.647 -18.428 -15.875 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 5.307 -19.108 -17.195 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -19.234 12.349 -19.481 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -18.334 12.179 -19.191 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -19.674 11.509 -19.411 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -20.067 -5.970 19.247 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -20.247 -5.950 20.187 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -20.327 -5.100 18.937 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -23.540 -8.162 -5.979 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -22.820 -7.742 -5.509 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -23.920 -7.472 -6.519 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 14.789 0.269 3.601 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 15.679 -0.071 3.531 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 14.459 0.269 2.701 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 8.835 7.962 -18.559 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 7.915 7.802 -18.349 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 9.245 8.142 -17.709 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -18.420 10.470 15.617 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -17.560 10.500 16.037 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -18.810 11.320 15.817 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -7.512 -17.416 9.008 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -6.792 -17.936 9.358 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -7.442 -16.576 9.458 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 3.398 -7.333 -8.291 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 3.898 -8.053 -7.921 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 2.948 -6.943 -7.531 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 18.849 23.063 19.221 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 19.579 23.653 19.041 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 18.439 23.433 20.001 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 7.751 17.811 -4.401 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 7.391 18.131 -3.571 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 8.381 18.491 -4.661 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 -24.030 -15.401 3.062 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 -23.130 -15.541 3.362 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 -23.940 -14.811 2.312 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 0.059 -12.669 -16.355 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -0.431 -11.849 -16.285 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 0.889 -12.409 -16.745 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -3.860 -14.779 -0.679 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -4.740 -15.009 -0.389 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -3.980 -14.029 -1.259 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 -0.184 13.673 -2.482 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 0.236 13.503 -1.632 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 -0.544 12.833 -2.752 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 18.366 -18.065 -1.791 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 18.016 -18.655 -2.451 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 19.156 -17.705 -2.191 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 6.987 3.722 3.581 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 7.607 3.042 3.831 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 7.237 4.482 4.101 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 15.103 6.334 -21.440 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 15.443 6.044 -20.600 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 14.983 7.284 -21.340 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 -16.722 0.112 17.091 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 -16.742 -0.798 17.401 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 -15.792 0.282 16.931 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 -14.614 -23.676 23.284 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 -14.734 -22.726 23.384 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 -13.934 -23.766 22.634 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 -1.366 10.474 21.805 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 -1.516 10.814 22.695 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 -1.836 11.084 21.235 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -4.793 0.262 20.179 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -4.753 -0.478 19.569 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -5.123 0.992 19.659 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -3.140 14.583 16.426 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -3.490 13.763 16.766 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -3.910 15.073 16.146 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -8.533 -18.532 6.469 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -8.943 -17.772 6.059 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -7.993 -18.162 7.179 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -24.944 -14.343 -17.451 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -24.414 -13.893 -18.111 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -24.644 -15.253 -17.481 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 -23.974 23.644 -23.173 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 -24.904 23.834 -23.083 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 -23.814 22.944 -22.533 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 -6.722 -1.407 -6.235 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 -6.682 -0.477 -6.015 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 -7.642 -1.557 -6.465 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -3.246 15.970 -14.884 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -3.356 16.870 -15.184 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -2.886 15.510 -15.634 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -25.075 -17.882 2.269 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -24.655 -17.402 2.979 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -24.545 -18.672 2.159 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -3.980 -3.016 15.914 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -3.560 -2.246 15.544 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -3.300 -3.416 16.474 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 6.663 14.861 -14.770 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 6.053 15.551 -15.010 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 6.433 14.121 -15.340 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 -12.296 10.559 16.739 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 -11.386 10.729 16.999 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 -12.636 9.999 17.439 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 10.310 11.989 -17.837 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 10.240 12.869 -17.447 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 10.910 12.109 -18.577 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 5.483 -16.838 8.598 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 5.263 -16.878 7.668 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 5.583 -15.898 8.778 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -22.323 23.801 10.157 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -21.493 23.991 9.707 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -22.053 23.341 10.957 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 7.544 -12.792 20.325 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 7.694 -13.332 19.545 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 7.414 -13.422 21.035 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 10.971 -3.602 4.990 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 11.731 -4.102 4.690 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 11.241 -3.262 5.840 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 16.250 4.611 -15.775 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 15.670 5.331 -16.005 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 16.810 4.491 -16.545 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -14.734 9.597 -22.244 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -15.034 9.187 -23.054 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -14.064 10.217 -22.524 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 22.728 10.417 -7.145 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 22.588 11.047 -7.855 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 22.968 10.967 -6.395 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -21.212 -2.900 -0.081 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -20.592 -2.270 0.309 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -21.472 -2.500 -0.911 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 13.321 12.708 -10.180 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 13.621 12.738 -9.270 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 13.661 11.878 -10.510 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 -10.965 -9.719 -5.785 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 -11.765 -9.399 -6.215 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 -11.275 -10.279 -5.075 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 4.094 -5.983 -17.957 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 4.014 -5.453 -18.757 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 3.264 -6.453 -17.907 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 -21.125 -3.235 11.663 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 -21.655 -3.955 11.313 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 -20.235 -3.585 11.703 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 -2.666 -20.060 4.966 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 -1.776 -20.330 4.746 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 -3.126 -20.870 5.166 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 0.468 1.001 16.555 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 1.048 1.601 17.005 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 0.948 0.171 16.525 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -18.377 17.025 8.102 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -18.807 17.095 8.952 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -19.027 17.375 7.482 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 6.493 18.402 -13.225 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 6.963 19.242 -13.235 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 6.893 17.892 -13.925 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 -3.992 -6.541 -2.148 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 -4.572 -7.031 -2.728 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 -4.382 -5.671 -2.098 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 9.916 22.061 2.154 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 9.046 22.451 2.184 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 9.746 21.121 2.104 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 -24.141 15.170 20.119 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 -23.281 15.030 20.519 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 -24.761 15.020 20.829 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 20.819 -15.105 -0.805 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 20.879 -14.795 0.095 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 21.679 -15.485 -0.985 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -4.524 19.273 -23.169 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -4.174 19.743 -22.409 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -5.314 18.843 -22.839 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 22.091 -9.271 -4.435 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 22.161 -9.601 -3.535 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 21.881 -10.051 -4.955 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -5.200 -24.600 14.230 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -6.040 -24.990 13.990 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -5.420 -23.970 14.930 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -4.333 10.181 -0.324 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -4.893 10.891 -0.014 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -3.993 10.491 -1.164 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 24.056 1.577 -18.913 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 24.496 0.727 -18.823 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 23.196 1.437 -18.523 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -24.340 -16.426 17.279 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -24.320 -17.036 18.019 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -23.790 -15.696 17.559 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 18.738 16.633 -17.353 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 18.498 17.453 -16.933 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 19.318 16.883 -18.073 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 7.949 -9.547 -9.012 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 7.269 -10.107 -9.382 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 8.079 -8.857 -9.662 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -15.077 1.511 22.785 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -15.457 1.121 23.575 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -15.717 2.181 22.525 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 2.239 24.076 0.942 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 2.409 24.996 1.152 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 2.729 23.586 1.592 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 21.663 -5.154 -2.907 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 21.973 -5.364 -2.027 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 21.253 -5.964 -3.207 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 16.015 1.194 20.862 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 16.435 1.964 20.472 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 15.975 1.394 21.802 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -2.237 3.704 -0.288 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -2.357 2.984 0.332 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -2.097 3.274 -1.128 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -19.030 6.526 3.180 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -18.320 5.946 2.920 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -19.290 6.226 4.050 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 9.620 -10.917 12.320 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 9.210 -11.507 11.690 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 10.490 -10.747 11.970 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 -16.513 14.020 14.505 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 -15.743 13.990 13.925 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 -16.803 14.930 14.455 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 23.224 -8.569 5.561 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 22.564 -8.649 4.871 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 23.814 -7.889 5.251 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 -18.889 9.142 4.791 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 -18.189 9.122 4.141 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 -19.589 8.622 4.401 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -0.376 4.110 2.681 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -0.926 4.760 2.241 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -0.536 4.250 3.611 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 -7.045 0.372 18.066 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 -7.635 -0.058 18.676 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 -7.385 0.142 17.196 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 -2.762 1.547 1.435 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 -3.682 1.357 1.255 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 -2.792 2.187 2.145 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -9.114 -23.451 -25.455 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -9.184 -23.831 -24.575 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -8.164 -23.441 -25.625 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 16.508 11.469 2.016 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 16.788 12.289 1.606 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 16.828 11.539 2.916 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 21.775 18.823 -17.054 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 21.245 19.563 -16.784 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 21.525 18.123 -16.444 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 -7.606 15.389 -7.332 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 -7.216 15.999 -7.962 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 -8.226 14.869 -7.852 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 9.403 -21.681 1.211 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 10.293 -21.871 0.901 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 9.413 -20.731 1.361 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 -7.034 5.368 9.762 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 -7.884 4.938 9.852 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 -6.394 4.668 9.942 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 -20.574 10.216 -24.848 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 -20.404 9.366 -24.438 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 -20.644 10.826 -24.118 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 12.580 23.459 -21.085 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 12.680 22.749 -20.445 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 11.650 23.649 -21.105 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 -23.001 8.070 -3.910 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 -22.641 8.200 -4.780 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 -23.301 8.940 -3.650 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 24.704 -24.183 5.068 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 25.054 -23.743 4.298 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 25.454 -24.643 5.448 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 -18.857 -8.362 9.025 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 -18.477 -7.502 8.885 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 -19.367 -8.272 9.835 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -7.921 -11.400 -15.054 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -8.831 -11.250 -14.794 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -7.511 -11.760 -14.264 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -19.259 4.680 -7.031 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -19.609 4.870 -7.901 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -18.389 5.080 -7.021 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 -15.269 14.894 24.195 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 -15.149 15.384 25.015 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 -16.209 14.884 24.065 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 -23.887 22.964 -1.499 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 -23.167 22.544 -1.029 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 -23.577 23.844 -1.689 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 -3.232 -17.235 12.472 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 -3.952 -17.685 12.902 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 -3.012 -16.505 13.052 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 5.990 22.908 -0.224 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 6.860 22.948 -0.634 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 6.130 23.238 0.666 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 20.631 10.963 -1.194 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 20.311 11.853 -1.364 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 20.581 10.533 -2.044 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 9.587 3.177 20.636 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 8.947 3.197 19.926 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 9.327 3.897 21.216 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 -4.850 25.294 -24.949 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 -5.080 25.294 -24.019 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 -4.040 24.784 -24.999 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 14.979 -23.460 18.305 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 14.729 -22.650 17.865 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 14.249 -24.060 18.125 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 1.886 20.371 -24.761 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 1.576 19.701 -25.381 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 2.096 21.121 -25.311 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 -20.680 6.171 1.032 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 -20.220 6.421 1.832 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 -20.870 7.001 0.592 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -0.677 -4.630 23.882 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 0.163 -4.180 23.762 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -1.087 -4.620 23.022 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 -15.463 -23.902 -3.445 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 -15.473 -23.132 -2.875 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 -15.993 -23.642 -4.205 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 10.531 -8.225 9.520 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 10.651 -7.505 8.910 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 9.701 -8.025 9.960 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -2.785 -15.169 13.957 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -2.715 -15.679 14.767 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -3.215 -14.359 14.227 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 8.810 -10.787 -2.104 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 9.010 -11.017 -1.194 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 7.990 -10.307 -2.054 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 9.931 -22.991 10.357 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 9.411 -23.631 10.837 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 9.651 -23.081 9.447 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 -21.826 -16.831 -22.589 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 -21.986 -17.751 -22.379 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 -21.006 -16.621 -22.139 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -4.021 20.451 0.823 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -3.991 20.641 -0.107 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -4.941 20.591 1.073 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 -12.216 -6.428 3.903 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 -12.116 -7.178 4.483 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 -13.146 -6.418 3.673 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 13.636 16.409 -12.195 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 12.966 16.439 -12.885 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 13.946 17.309 -12.135 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 -9.187 4.015 21.249 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 -9.457 4.825 20.809 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 -9.057 4.275 22.159 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 15.965 4.706 -23.961 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 15.735 4.536 -24.871 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 15.415 5.446 -23.711 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -10.783 -12.699 -2.061 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -9.953 -12.259 -1.861 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -10.963 -12.449 -2.971 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 23.606 -13.020 -6.124 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 24.556 -13.150 -6.194 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 23.256 -13.430 -6.914 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 17.326 -16.514 -15.734 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 16.476 -16.444 -15.284 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 17.956 -16.174 -15.094 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 6.011 -13.578 25.271 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 6.131 -12.628 25.191 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 5.521 -13.828 24.491 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 -19.136 -4.066 15.875 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 -19.966 -4.326 15.465 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 -19.346 -3.976 16.805 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 13.681 -2.293 -19.151 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 13.941 -2.733 -19.961 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 14.421 -1.723 -18.941 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 -21.063 -17.907 23.626 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 -20.283 -17.407 23.406 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 -21.093 -18.607 22.976 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 16.563 23.964 12.731 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 16.403 24.874 12.481 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 17.393 23.734 12.311 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 20.145 20.093 19.233 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 19.715 20.513 19.983 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 20.835 20.703 18.973 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 5.038 0.571 23.676 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 5.758 0.381 23.066 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 4.858 -0.279 24.086 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 22.106 -25.371 15.349 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 21.876 -24.561 14.899 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 22.806 -25.121 15.949 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 20.090 24.861 5.482 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 20.150 25.811 5.332 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 19.170 24.651 5.282 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 11.820 -12.860 -17.588 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 12.610 -13.400 -17.678 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 12.120 -11.970 -17.798 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 -15.484 -23.011 -19.251 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 -14.704 -22.631 -19.661 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 -16.184 -22.851 -19.881 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 -2.055 -5.281 -4.425 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 -1.355 -5.861 -4.135 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 -1.775 -4.971 -5.285 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 12.826 -13.760 12.025 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 13.646 -13.930 12.485 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 12.156 -14.200 12.555 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -6.302 11.489 7.155 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -5.632 10.999 6.695 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -6.652 10.879 7.795 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -15.426 8.015 -19.709 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -15.946 7.685 -20.439 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -14.766 8.565 -20.109 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -14.743 13.699 -6.286 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -14.213 12.909 -6.366 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -15.593 13.389 -5.996 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 25.031 -15.739 11.455 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 24.441 -15.749 12.215 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 25.441 -14.869 11.495 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 -8.962 13.935 -1.058 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 -9.012 13.655 -1.978 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 -8.562 14.805 -1.098 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 8.160 -9.206 14.312 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 8.150 -8.306 14.012 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 8.990 -9.566 14.002 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -15.715 15.854 19.643 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -15.935 16.504 18.973 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -15.545 15.044 19.153 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -10.406 -9.437 -2.579 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -9.816 -8.707 -2.389 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -9.866 -10.047 -3.089 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 9.339 -1.942 -18.512 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 8.939 -1.852 -17.642 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 9.889 -1.162 -18.602 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 -6.414 -24.873 -2.658 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -5.474 -24.983 -2.798 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 -6.814 -25.583 -3.168 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 -3.194 -13.372 1.885 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 -2.414 -12.832 1.785 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 -3.924 -12.762 1.835 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 -11.403 -17.445 7.589 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 -10.583 -17.495 7.089 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 -11.203 -16.865 8.329 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 -7.137 -12.440 24.559 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 -6.417 -12.280 23.959 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 -7.927 -12.370 24.019 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 12.424 -2.326 -13.619 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 13.034 -2.996 -13.929 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 12.774 -1.506 -13.949 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 2.278 20.075 5.935 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 1.978 20.335 5.065 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 2.288 20.885 6.445 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 -13.919 -10.980 19.006 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 -14.249 -11.720 19.516 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 -14.429 -11.010 18.196 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 4.713 13.297 6.144 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 4.373 12.617 5.554 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 3.943 13.767 6.434 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 9.465 5.257 -12.653 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 9.895 6.067 -12.913 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 8.945 4.997 -13.423 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 19.395 -16.193 -21.057 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 18.525 -16.543 -20.867 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 19.995 -16.773 -20.577 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 25.025 20.783 3.184 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 25.315 19.913 2.904 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 25.045 20.743 4.144 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 22.806 15.902 -21.164 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 23.406 15.962 -20.424 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 22.616 14.972 -21.254 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 7.771 -9.126 10.526 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 7.341 -9.676 9.876 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 8.351 -9.726 11.006 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 16.590 -18.925 -21.795 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 16.680 -18.645 -20.885 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 15.940 -19.625 -21.765 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 12.301 -22.914 -10.278 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 11.541 -23.494 -10.278 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 13.041 -23.494 -10.448 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 21.691 15.273 -6.458 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 21.031 15.593 -5.838 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 22.081 14.513 -6.028 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 9.324 -22.555 -2.178 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 9.804 -22.895 -2.928 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 8.424 -22.465 -2.488 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 -7.022 -16.179 -16.288 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 -7.802 -16.689 -16.058 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 -6.562 -16.729 -16.918 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 -0.497 -22.152 21.835 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 -1.317 -22.642 21.725 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 -0.097 -22.162 20.965 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 8.555 -13.207 -23.681 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 8.985 -13.867 -24.221 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 7.705 -13.077 -24.111 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 -5.196 19.186 -10.008 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 -5.836 19.866 -10.238 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 -4.406 19.676 -9.768 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 21.456 2.246 10.542 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 21.966 2.306 11.342 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 21.566 3.096 10.112 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 20.698 -15.367 -5.074 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 21.438 -15.967 -4.964 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 20.218 -15.707 -5.834 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 -13.272 -14.571 -1.821 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 -13.182 -15.481 -2.121 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 -12.372 -14.281 -1.671 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 -10.920 -12.231 -7.793 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 -10.180 -12.581 -7.293 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 -11.110 -11.391 -7.383 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -17.307 -20.420 17.279 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -17.267 -19.570 16.849 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -16.647 -20.370 17.979 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.199 -7.793 -15.794 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.489 -6.883 -15.704 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -15.799 -8.173 -16.434 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 7.541 -20.581 24.000 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 7.982 -19.751 24.170 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 6.941 -20.391 23.280 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 0.386 23.834 -1.255 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 -0.054 24.354 -1.925 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 1.156 24.354 -1.015 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -3.806 -23.731 -22.168 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -3.306 -23.341 -22.888 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -4.716 -23.541 -22.378 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 12.221 16.166 4.806 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 11.321 16.066 5.106 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 12.741 16.186 5.606 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 10.644 22.096 8.202 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 11.254 22.306 8.902 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 11.174 21.636 7.552 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 -21.964 -14.531 10.302 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 -21.964 -15.191 11.002 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 -21.514 -14.961 9.572 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -17.394 -20.608 -7.736 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -17.454 -21.518 -8.016 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -16.824 -20.188 -8.386 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 9.624 16.040 5.496 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 8.894 15.650 5.976 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 9.244 16.800 5.056 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -5.227 -11.244 -2.158 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -6.057 -11.314 -1.678 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -4.557 -11.274 -1.478 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 -3.800 -14.588 18.963 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 -4.530 -15.158 19.203 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 -3.180 -14.658 19.683 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 2.120 16.531 -14.833 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 1.400 17.071 -14.503 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 2.350 16.921 -15.673 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 -23.784 -23.045 1.312 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 -22.994 -23.135 0.772 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 -24.504 -23.245 0.712 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 1.239 8.623 16.251 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 1.239 7.683 16.071 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 1.679 9.013 15.491 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 0.819 8.965 -8.829 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 1.509 8.305 -8.729 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 0.739 9.365 -7.959 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 -20.157 4.429 -13.325 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 -20.717 3.699 -13.575 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 -19.277 4.149 -13.575 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 16.390 1.395 -9.012 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 16.950 1.195 -9.762 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 16.990 1.655 -8.312 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -17.267 1.510 2.712 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -16.647 0.810 2.502 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -17.447 1.400 3.642 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 -1.007 12.649 9.490 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 -0.357 13.169 9.020 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 -1.317 12.019 8.830 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -2.212 -20.505 0.220 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -3.112 -20.285 -0.020 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -1.692 -20.275 -0.550 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 18.629 -20.718 -8.260 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 18.549 -21.668 -8.350 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 19.339 -20.478 -8.850 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 24.533 23.514 -5.378 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 24.872 23.364 -6.268 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 23.723 23.994 -5.508 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -20.800 -8.279 -2.158 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -20.510 -7.799 -2.938 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -20.000 -8.649 -1.798 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.817 -15.286 -19.300 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.867 -15.916 -20.010 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 22.727 -15.096 -19.080 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -9.625 4.478 -6.892 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -8.775 4.318 -7.302 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -9.705 3.788 -6.232 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 8.193 2.405 16.243 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 8.103 2.875 15.413 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 8.043 3.075 16.913 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -20.803 -12.631 -15.672 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -20.223 -11.921 -15.922 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -20.383 -13.421 -16.002 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -6.650 -13.318 -3.548 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -5.850 -12.868 -3.268 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -6.350 -13.988 -4.158 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 11.087 9.495 -22.018 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 10.657 9.535 -22.868 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 10.977 10.375 -21.658 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 -4.035 -3.053 -13.090 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 -4.115 -3.963 -12.800 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 -4.845 -2.643 -12.790 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 -0.885 -12.165 -5.915 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 0.065 -12.205 -6.015 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 -1.025 -12.145 -4.975 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 -10.056 7.838 -8.800 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 -10.596 7.128 -9.130 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 -9.156 7.578 -9.030 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 25.343 19.905 6.032 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 24.643 20.185 6.622 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 25.673 19.095 6.422 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -10.027 -23.831 -4.801 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -9.977 -24.761 -4.991 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -9.197 -23.471 -5.111 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 -18.830 20.396 -18.238 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 -19.050 21.236 -17.838 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 -17.950 20.206 -17.938 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -7.897 -6.105 15.275 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -8.817 -5.945 15.485 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -7.547 -5.235 15.085 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 12.359 -18.627 -21.046 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 11.589 -18.897 -20.536 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 12.819 -18.017 -20.476 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 -19.132 -9.210 -9.599 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 -18.352 -8.650 -9.629 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 -19.842 -8.630 -9.889 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 12.373 -23.430 20.194 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 12.853 -22.650 19.924 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 12.473 -23.450 21.144 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 24.345 13.320 6.391 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 24.735 14.160 6.171 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 23.685 13.170 5.711 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 -9.648 -6.937 -2.731 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 -9.359 -6.407 -1.991 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 -10.499 -6.567 -2.971 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 -24.146 -7.495 0.622 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 -23.316 -7.015 0.602 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 -24.816 -6.825 0.462 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 -14.302 2.913 -10.962 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 -15.002 2.393 -10.572 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 -14.712 3.363 -11.692 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -1.105 15.572 -9.062 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -0.365 15.052 -8.722 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -1.875 15.202 -8.642 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 4.689 0.395 4.947 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 3.929 0.765 5.407 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 5.069 -0.235 5.557 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 -22.320 9.983 7.668 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 -23.030 9.653 7.118 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 -22.500 10.913 7.758 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -1.485 -17.097 8.995 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -1.205 -16.287 8.565 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -2.045 -17.527 8.355 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 6.308 -23.829 -22.118 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 7.058 -24.249 -22.528 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 6.378 -22.899 -22.368 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -5.042 5.013 -10.181 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -4.832 5.903 -9.901 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -4.532 4.453 -9.591 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 5.401 3.033 20.264 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 5.311 2.733 21.174 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 4.691 2.583 19.804 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 16.198 9.011 -9.028 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 16.818 9.741 -9.038 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 16.708 8.281 -8.678 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 5.859 4.313 -0.584 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 6.109 3.983 -1.454 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 6.629 4.783 -0.274 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 -18.052 -11.938 -10.693 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 -18.702 -12.368 -11.253 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 -18.552 -11.668 -9.923 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 22.904 -2.994 21.012 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 23.204 -2.394 20.322 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 22.194 -2.534 21.442 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.365 4.522 9.442 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 13.905 3.922 10.042 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 15.105 4.852 9.952 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 23.508 -20.263 2.857 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 23.928 -19.423 3.057 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 23.718 -20.413 1.927 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -24.333 -14.317 -22.765 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -25.013 -14.917 -23.055 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -23.543 -14.617 -23.225 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 22.963 -20.880 -23.908 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 22.873 -21.820 -23.808 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 22.073 -20.540 -23.838 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 -7.193 -6.559 3.393 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 -7.763 -6.119 2.773 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 -7.793 -7.009 3.993 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 0.341 -15.178 -18.411 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 0.111 -14.258 -18.301 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -0.189 -15.458 -19.161 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 20.735 17.122 -20.146 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 21.225 16.652 -20.816 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.385 17.692 -19.726 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 -12.074 16.871 21.562 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 -11.754 17.271 20.752 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 -11.474 16.141 21.722 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -18.169 -11.581 7.882 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -17.259 -11.351 7.722 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -18.559 -10.801 8.282 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 7.309 21.553 -7.521 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 6.669 22.263 -7.471 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 7.339 21.203 -6.631 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -11.005 13.992 -4.351 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -10.225 14.492 -4.121 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -11.475 14.542 -4.981 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -17.353 -5.381 -17.371 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -17.333 -5.811 -16.521 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -17.023 -6.041 -17.981 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -3.506 -19.092 -10.969 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -3.246 -19.692 -11.669 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -3.636 -18.252 -11.419 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 12.870 9.623 8.512 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 12.870 9.293 9.412 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 13.140 8.873 7.982 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 9.243 -22.671 23.198 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 8.633 -22.161 23.738 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 8.753 -22.841 22.388 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 22.275 6.894 22.275 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 22.595 7.414 21.535 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 21.455 7.324 22.525 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 21.624 -5.868 13.272 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 20.974 -6.298 12.712 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 21.254 -5.918 14.152 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -1.164 13.359 -13.678 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -0.514 13.459 -14.378 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -1.134 14.189 -13.208 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -20.303 -11.460 -20.752 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -20.543 -11.760 -21.632 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -19.603 -12.060 -20.482 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 -20.125 -22.862 6.109 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 -20.065 -22.932 5.159 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 -19.225 -22.942 6.409 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 -19.321 -14.838 -16.895 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 -19.161 -15.618 -16.375 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 -18.801 -14.978 -17.695 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 5.136 13.424 -24.578 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 5.316 13.934 -23.778 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 4.436 12.824 -24.328 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -5.375 18.636 7.269 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -4.715 19.286 7.489 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -5.345 18.566 6.319 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 13.167 0.739 17.417 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 12.707 -0.031 17.097 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 13.707 1.019 16.677 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 -15.029 -5.947 4.417 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 -15.719 -6.607 4.337 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 -15.059 -5.687 5.347 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 15.915 -4.778 11.023 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 16.195 -4.138 11.683 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 16.235 -5.618 11.353 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 20.225 2.851 4.265 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 20.325 3.341 3.455 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 20.385 1.941 4.015 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 0.810 -18.928 3.651 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 -0.110 -19.148 3.821 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 1.190 -19.738 3.321 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -16.735 -5.277 16.705 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -16.855 -4.327 16.765 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -17.575 -5.607 16.375 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 18.857 -9.585 20.605 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 19.317 -10.215 21.155 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 17.937 -9.835 20.695 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 17.811 -13.035 -20.777 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 17.131 -13.605 -20.437 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 18.051 -12.475 -20.037 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 6.901 -21.816 2.499 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 7.801 -21.686 2.199 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 6.491 -22.326 1.799 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 -16.404 -19.190 14.105 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 -15.634 -18.780 13.705 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 -16.834 -18.480 14.575 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 16.844 -20.109 11.706 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 17.314 -19.439 12.186 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 15.954 -20.089 12.066 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 -14.363 16.304 -0.877 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 -14.553 15.374 -0.987 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 -13.863 16.354 -0.067 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 11.602 13.295 12.402 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 12.531 13.125 12.302 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 11.231 13.155 11.532 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 19.177 -3.851 10.164 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 18.517 -3.171 10.114 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 19.497 -3.951 9.264 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 21.374 -13.636 12.422 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 21.224 -14.226 13.162 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 21.634 -14.216 11.702 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 -13.303 -10.517 -11.159 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 -13.283 -10.457 -12.109 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 -12.693 -11.217 -10.939 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 -20.203 -2.752 -23.570 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 -19.453 -2.882 -24.140 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 -19.873 -2.212 -22.850 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 23.800 23.274 3.472 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 24.450 23.954 3.302 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 24.290 22.454 3.422 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 8.875 24.913 -3.828 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 8.145 25.503 -3.978 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 8.525 24.033 -3.968 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 13.160 7.843 -9.523 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 12.440 8.463 -9.613 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 13.870 8.353 -9.123 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 9.857 -18.762 -15.138 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 8.957 -18.602 -14.848 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 10.307 -19.092 -14.358 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 -15.487 -10.719 -0.904 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 -16.087 -10.269 -1.494 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 -15.697 -11.649 -0.994 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 0.238 -2.137 0.526 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 0.348 -2.717 -0.224 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -0.692 -1.927 0.526 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 23.058 -15.856 13.483 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 22.878 -15.846 14.423 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 23.058 -16.786 13.253 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 14.607 -4.062 -25.418 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 15.077 -3.232 -25.338 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 14.387 -4.302 -24.518 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 13.878 9.684 2.562 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 13.858 8.874 3.072 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 13.618 10.364 3.182 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -21.331 -13.083 15.122 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -20.771 -13.793 15.452 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -20.761 -12.593 14.532 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 4.886 11.021 11.281 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 5.306 11.881 11.381 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 5.496 10.511 10.761 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 12.511 7.090 -15.026 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 13.281 7.050 -14.466 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 12.861 7.050 -15.916 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 -16.066 3.019 9.720 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 -16.086 2.129 10.080 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 -15.586 2.929 8.900 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 -4.569 1.621 16.080 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 -5.269 2.021 16.600 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 -3.949 2.331 15.940 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 11.268 1.567 -7.747 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 11.088 2.207 -7.067 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 11.608 2.077 -8.487 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 16.489 13.921 24.951 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 17.279 14.401 25.211 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 16.809 13.201 24.411 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -21.426 1.903 -23.706 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -20.766 1.323 -23.316 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -21.876 2.293 -22.956 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 8.436 -22.683 14.252 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 7.966 -21.863 14.062 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 9.276 -22.393 14.602 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 15.314 7.495 -16.004 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 15.134 8.425 -16.124 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 15.874 7.455 -15.224 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 -7.416 24.229 -21.014 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 -7.776 23.439 -20.614 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 -6.776 23.899 -21.654 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 22.610 -8.109 21.891 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 23.550 -7.979 22.051 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 22.200 -7.299 22.181 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -10.356 -10.576 11.880 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -10.266 -11.306 12.490 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -10.556 -9.826 12.430 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 -21.674 -18.718 5.445 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 -22.254 -18.428 6.155 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 -20.794 -18.588 5.795 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -8.881 -11.958 14.649 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -9.431 -12.088 15.419 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -8.521 -11.078 14.759 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -17.592 -11.102 -16.187 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -17.622 -10.162 -15.987 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -17.672 -11.532 -15.337 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -16.722 -18.742 23.839 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -17.372 -19.012 24.489 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -15.922 -18.592 24.349 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 4.106 -4.626 -3.708 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.436 -4.986 -2.888 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 4.296 -5.296 -4.368 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.178 -9.757 -20.861 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.148 -10.097 -21.751 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.748 -8.907 -20.911 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 4.741 0.701 -18.457 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 5.651 0.611 -18.757 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 4.421 -0.199 -18.377 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -2.301 -6.999 14.401 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -2.771 -7.199 13.591 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -2.481 -6.069 14.561 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 -18.474 6.570 22.515 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 -18.734 7.420 22.885 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 -19.304 6.100 22.415 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 4.238 -22.075 -13.246 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 3.328 -21.765 -13.216 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 4.618 -21.625 -13.996 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 10.236 2.761 25.305 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 10.956 3.391 25.355 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 10.446 2.211 24.555 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 13.219 -12.279 20.249 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 13.699 -12.749 20.939 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 12.929 -11.469 20.669 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -13.890 23.513 0.452 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -13.700 22.973 -0.318 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -13.380 24.313 0.312 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -8.445 -2.818 -16.545 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -7.605 -2.858 -16.095 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -8.755 -1.918 -16.405 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -22.314 -15.422 24.575 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -21.774 -16.212 24.495 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -21.734 -14.782 24.985 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -12.029 4.642 -16.345 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -12.229 3.982 -15.675 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -12.709 5.302 -16.225 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -12.192 5.399 -20.165 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -11.702 5.509 -19.345 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -13.042 5.039 -19.885 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -21.925 6.151 13.616 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -22.265 5.771 12.806 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -21.425 5.431 14.026 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 -0.060 -10.090 14.492 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 -0.040 -10.890 15.012 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 0.770 -9.660 14.672 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -2.513 -6.750 0.099 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -3.073 -6.820 -0.661 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 -2.623 -5.850 0.399 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 4.501 3.112 13.542 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 4.471 2.712 14.412 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 3.631 3.502 13.432 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 -10.092 -11.453 -25.100 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 -10.632 -11.943 -24.480 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 -9.602 -12.123 -25.580 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 -1.393 -8.152 -17.663 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 -2.213 -8.572 -17.923 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 -1.383 -7.332 -18.163 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 -15.065 23.866 13.438 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 -15.815 24.366 13.128 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 -15.285 23.646 14.348 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 -16.115 24.651 -23.188 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 -17.035 24.661 -22.918 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 -15.755 23.861 -22.778 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -12.190 -7.395 -1.359 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -11.570 -7.215 -0.649 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -11.730 -8.005 -1.929 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 23.220 -11.095 20.816 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 22.680 -11.305 20.056 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 22.800 -10.335 21.206 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 11.965 -0.799 -2.424 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 11.575 -1.519 -2.904 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 12.255 -0.179 -3.094 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 18.454 22.964 7.957 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 18.874 22.124 8.107 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 19.174 23.604 7.997 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 17.196 21.186 -20.065 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 16.436 21.716 -20.335 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 17.016 20.966 -19.155 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 1.763 3.185 17.370 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 1.313 3.935 17.760 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 2.653 3.235 17.720 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.776 7.107 -7.837 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.606 7.637 -7.057 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -6.636 6.207 -7.557 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -19.035 24.683 17.044 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -19.125 25.613 16.874 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 -19.935 24.383 17.214 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 2.659 -0.474 14.573 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 3.099 -0.394 13.723 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 2.879 0.336 15.033 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -5.407 -0.090 -11.164 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -5.907 0.590 -10.714 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -5.787 -0.130 -12.034 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -3.446 -22.815 18.150 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -2.956 -22.665 17.330 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -4.286 -22.385 18.010 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 5.846 12.880 23.167 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 6.716 13.270 23.217 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 5.586 12.730 24.077 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -8.395 8.663 -16.673 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -7.995 7.923 -16.213 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -9.335 8.553 -16.523 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 13.109 -12.420 8.127 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 12.489 -12.110 8.787 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 13.089 -11.760 7.437 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 2.241 -15.372 10.681 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 2.921 -15.902 11.101 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 1.421 -15.722 11.021 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 9.441 11.630 19.461 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 10.131 12.060 19.971 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 8.661 12.160 19.611 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -8.154 -11.775 -1.645 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -8.174 -12.105 -0.745 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -7.764 -12.475 -2.155 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -7.433 3.564 -4.860 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -7.863 2.944 -4.280 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -6.493 3.434 -4.690 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 -2.134 -24.461 3.931 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 -2.214 -23.901 3.161 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 -2.064 -25.351 3.561 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -3.192 -0.908 -19.681 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -3.722 -0.908 -20.481 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -2.292 -0.778 -19.981 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 5.021 -8.725 -11.530 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 4.741 -9.565 -11.160 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 5.621 -8.965 -12.240 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 -18.242 -23.878 -7.935 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 -17.832 -24.738 -7.865 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 -19.172 -24.038 -7.775 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 11.060 -1.143 21.606 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 11.320 -0.393 21.066 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 11.880 -1.513 21.926 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 -4.672 -22.390 -3.528 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 -4.502 -22.030 -4.398 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 -4.662 -21.630 -2.948 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 15.261 14.913 9.140 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 15.821 15.633 8.860 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 14.771 15.263 9.890 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 15.090 -17.839 -24.704 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 14.550 -18.189 -24.004 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 15.120 -18.529 -25.364 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 -14.103 9.754 20.728 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 -14.753 9.394 20.128 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 -14.613 10.264 21.358 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 9.151 -1.234 9.914 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 9.141 -0.974 8.984 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 9.931 -0.794 10.264 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 -23.174 -16.544 20.806 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 -23.494 -16.524 21.706 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 -22.484 -15.884 20.786 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 12.970 -10.381 12.407 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 13.040 -9.471 12.097 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 13.370 -10.361 13.277 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 8.773 -12.430 0.239 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 9.423 -12.960 0.699 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 8.093 -13.060 -0.021 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 -13.121 0.907 -22.772 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 -14.011 0.847 -23.112 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 -12.871 1.817 -22.902 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 -19.006 -16.496 -4.278 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 -18.076 -16.656 -4.118 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 -19.306 -17.276 -4.748 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 11.204 20.420 -8.729 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 11.874 20.370 -8.049 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 10.464 19.930 -8.379 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -7.210 -7.838 18.800 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -7.480 -7.128 18.210 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -6.320 -8.048 18.530 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 20.876 2.478 -12.593 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 21.386 3.288 -12.493 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 20.486 2.538 -13.463 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 -23.479 5.439 -8.534 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 -22.739 4.839 -8.434 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 -23.879 5.469 -7.664 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 14.075 12.430 11.639 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 14.365 11.690 12.159 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 14.665 12.440 10.879 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 18.736 2.540 -25.054 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 18.776 2.960 -25.914 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 18.336 3.190 -24.484 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -25.105 -21.142 9.867 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -25.755 -21.582 10.407 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -24.645 -21.852 9.417 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 1.771 23.494 -12.091 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 1.831 22.554 -12.251 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 2.461 23.674 -11.441 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -5.572 -7.645 -11.130 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -5.902 -7.705 -10.230 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -4.882 -8.305 -11.180 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 -3.433 -14.717 22.112 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 -4.203 -15.267 21.992 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 -2.693 -15.327 22.132 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -22.600 5.105 4.745 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -21.690 5.085 5.045 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -22.760 6.025 4.535 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 17.804 -10.050 -20.188 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.914 -9.100 -20.278 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.924 -10.230 -20.538 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -3.421 -16.647 -23.291 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -4.091 -16.037 -23.591 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -3.911 -17.287 -22.761 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 -14.223 11.713 18.714 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 -14.203 12.643 18.494 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 -13.393 11.373 18.384 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 -24.671 -18.724 11.403 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 -25.071 -17.864 11.483 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 -25.141 -19.134 10.663 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 20.759 22.690 -16.178 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 20.919 23.550 -16.578 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 21.449 22.590 -15.528 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 -22.866 -3.799 3.339 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 -22.336 -3.959 4.109 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 -23.396 -3.029 3.559 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 15.581 7.795 -3.939 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 15.401 7.195 -4.659 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 15.711 8.645 -4.359 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -11.806 -11.021 -0.311 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -11.436 -11.751 -0.831 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -11.966 -10.331 -0.951 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 11.061 3.466 -5.893 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 11.991 3.686 -5.923 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.611 4.266 -6.143 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 3.597 -8.791 22.236 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 2.787 -9.281 22.326 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 3.547 -8.391 21.366 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -12.111 -9.655 24.951 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -11.281 -10.075 25.211 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -12.541 -10.295 24.381 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 18.614 -2.019 -20.847 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 19.334 -2.579 -20.567 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 18.364 -1.539 -20.057 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -17.627 -7.105 -24.641 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -16.747 -7.365 -24.391 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -17.497 -6.465 -25.351 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 -22.821 -10.031 -20.627 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 -22.681 -9.221 -21.117 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 -21.941 -10.341 -20.407 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 -12.753 15.639 -5.935 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 -13.303 16.289 -5.505 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 -13.373 14.979 -6.265 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 7.058 18.305 23.082 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 6.598 17.505 23.352 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 6.458 18.725 22.462 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 12.015 -17.112 -0.173 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 12.925 -17.352 0.007 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 11.955 -16.182 0.047 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 18.403 23.129 -18.950 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 18.093 22.629 -18.190 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 18.013 22.679 -19.700 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 -13.344 9.632 13.711 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 -12.494 9.522 13.271 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 -13.334 10.532 14.021 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 21.360 -19.186 20.611 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 20.770 -18.506 20.281 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 20.890 -19.576 21.351 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -23.197 -24.623 5.826 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -22.387 -24.143 5.706 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -23.097 -25.403 5.286 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -14.006 -0.496 -4.144 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -14.786 -1.026 -4.324 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -14.346 0.254 -3.644 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 21.758 13.208 -25.200 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 22.178 12.408 -25.510 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 21.818 13.148 -24.240 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -6.806 -13.259 2.917 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -6.906 -13.719 3.757 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -6.066 -12.669 3.057 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 -7.976 10.017 -10.905 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 -7.606 10.577 -10.225 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 -8.916 10.177 -10.865 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -7.579 23.690 -6.301 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -7.139 24.550 -6.281 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -7.279 23.290 -7.121 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -20.397 18.848 3.172 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -19.637 19.408 3.072 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -20.537 18.448 2.312 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 9.715 -4.597 -0.804 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 8.885 -4.817 -0.384 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 9.495 -4.407 -1.714 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -19.401 4.035 -1.881 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -20.191 3.535 -2.111 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -18.981 3.515 -1.201 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 14.759 -3.033 17.145 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 14.739 -2.103 16.905 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 13.899 -3.363 16.885 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 -2.891 -10.267 -5.535 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 -2.371 -10.977 -5.895 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 -2.571 -10.167 -4.635 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 8.067 18.918 7.969 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 8.437 18.288 8.589 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 8.737 19.598 7.889 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -3.440 10.790 19.352 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -2.890 10.220 19.892 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -3.810 11.420 19.962 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 -23.587 -2.385 20.726 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 -23.427 -2.405 21.666 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 -22.717 -2.435 20.326 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -8.337 -23.942 -8.528 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -7.517 -23.462 -8.628 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -8.167 -24.792 -8.938 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -9.952 -4.557 8.912 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -9.492 -5.397 8.902 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -9.652 -4.107 8.122 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 13.525 -12.715 24.361 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 13.565 -13.445 23.741 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 12.985 -12.065 23.931 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -13.338 -3.437 -13.751 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 -13.458 -3.257 -14.691 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 -12.409 -3.677 -13.681 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -17.689 -17.719 16.936 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -18.259 -17.069 16.526 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -17.059 -17.199 17.436 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 23.533 4.354 23.631 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.803 3.744 23.561 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 23.333 5.054 23.011 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 2.923 -18.947 -8.440 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 3.373 -18.137 -8.180 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 2.583 -18.767 -9.310 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 4.153 10.884 16.639 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 4.243 11.594 17.269 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 4.313 10.094 17.139 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -19.729 14.824 -21.294 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -20.159 15.664 -21.424 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -20.339 14.314 -20.754 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 -21.552 8.597 -15.035 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 -20.972 8.017 -15.535 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -22.402 8.157 -15.045 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -5.483 -18.472 -17.925 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -5.233 -19.042 -18.645 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -6.423 -18.602 -17.815 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 -16.310 -3.108 -1.331 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 -16.900 -2.358 -1.241 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 -16.650 -3.758 -0.711 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 -2.304 12.721 23.166 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 -2.214 13.571 22.756 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 -2.224 12.891 24.106 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.095 -19.177 12.156 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 9.465 -18.687 12.686 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 10.355 -19.917 12.716 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 8.086 -9.307 -21.164 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 8.816 -8.687 -21.104 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 7.946 -9.417 -22.104 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 3.658 -20.378 -6.079 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 4.448 -19.998 -5.709 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 3.408 -19.768 -6.779 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -20.424 2.143 7.784 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -21.174 2.573 8.204 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -19.724 2.783 7.854 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 8.420 -2.623 -23.939 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 9.360 -2.763 -24.049 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 8.310 -2.463 -22.999 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 8.466 -4.496 -4.724 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 7.666 -4.196 -4.284 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 8.906 -3.686 -4.974 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -24.923 -0.962 16.836 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -25.243 -0.072 16.656 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -24.453 -1.212 16.046 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -2.006 13.461 3.473 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -1.976 13.421 4.433 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -2.176 12.571 3.193 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 11.857 -23.569 23.295 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 10.937 -23.339 23.365 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 12.227 -23.379 24.155 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 -12.638 -23.584 -5.046 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 -11.689 -23.684 -4.986 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 -12.909 -23.334 -4.156 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 -22.431 22.301 12.355 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 -23.221 22.721 12.705 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 -22.741 21.451 12.025 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 -22.662 13.051 -6.498 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 -22.522 12.121 -6.638 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 -23.592 13.191 -6.678 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -9.479 -23.871 11.722 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -8.679 -23.351 11.722 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -9.309 -24.571 11.082 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 22.846 -3.313 -4.841 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 23.726 -3.513 -5.171 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 22.836 -3.633 -3.941 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 8.395 16.915 -23.294 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 9.315 16.945 -23.034 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 8.205 17.805 -23.594 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 -12.114 -19.673 12.812 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 -11.854 -19.493 11.912 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 -13.044 -19.873 12.762 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -5.473 7.493 8.631 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -5.673 6.563 8.681 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -6.293 7.933 8.851 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 4.244 -13.850 -2.815 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 3.294 -13.800 -2.795 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 4.544 -12.990 -2.515 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 -21.627 24.518 14.110 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 -20.967 25.148 13.840 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 -22.427 25.038 14.220 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -24.833 8.715 3.567 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -25.083 8.165 2.827 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -25.073 8.215 4.337 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.886 2.106 -18.504 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -4.816 2.106 -18.694 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.496 2.636 -19.204 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 6.435 0.184 -15.370 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 6.795 -0.096 -16.210 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 7.115 0.734 -14.990 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -22.517 -20.820 -1.472 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -22.277 -21.240 -2.292 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -21.757 -20.280 -1.252 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -23.000 1.123 -5.682 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -22.450 1.273 -4.922 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -23.800 0.723 -5.332 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 -13.027 6.844 -22.265 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 -12.607 6.124 -21.795 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 -13.967 6.694 -22.125 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 4.678 11.196 1.912 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 3.938 10.986 1.342 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 4.698 12.156 1.922 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 -23.722 -13.640 17.329 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 -24.102 -13.330 16.509 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 -23.022 -13.020 17.529 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 -9.113 -18.844 -3.703 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 -8.523 -18.184 -4.073 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 -8.843 -18.914 -2.783 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 16.300 -11.548 17.019 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 17.180 -11.168 16.999 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 15.800 -11.028 16.389 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 5.535 -18.803 -4.948 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 5.755 -18.293 -4.158 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 5.525 -18.153 -5.648 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 19.941 20.360 14.415 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 19.951 20.220 15.365 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 19.941 21.310 14.315 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 1.875 2.465 -13.721 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 1.495 1.645 -13.401 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 2.695 2.205 -14.131 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -20.561 -7.158 4.842 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -21.051 -6.428 5.202 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -21.031 -7.398 4.042 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 -24.083 12.985 -12.482 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 -23.143 12.835 -12.512 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 -24.233 13.415 -11.642 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 13.916 -0.396 20.411 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 13.966 -0.636 19.481 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 14.586 0.284 20.511 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 23.571 1.221 4.480 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 24.401 1.261 4.950 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 23.011 0.671 5.030 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 4.686 11.733 -6.888 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 4.596 10.913 -7.368 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 5.576 11.723 -6.538 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -7.005 11.685 -18.450 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -7.785 12.055 -18.030 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -6.655 11.065 -17.800 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -17.905 24.706 -2.021 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -18.825 24.806 -1.771 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.415 25.146 -1.331 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 22.143 -11.742 25.071 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 22.313 -10.812 24.951 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 22.853 -12.182 24.601 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 10.435 1.831 -3.974 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 10.745 2.321 -4.734 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 11.165 1.861 -3.354 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 15.340 5.950 -18.768 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 15.280 6.870 -18.508 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 16.220 5.680 -18.488 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -23.882 -7.092 19.815 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -24.152 -7.522 19.005 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -24.552 -7.342 20.455 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -13.201 -11.819 -16.553 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -12.791 -11.089 -16.083 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -13.931 -11.409 -17.023 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -24.137 5.223 -15.535 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -23.937 6.093 -15.215 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -25.077 5.243 -15.725 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 -14.904 22.582 19.909 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 -14.174 21.962 19.929 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 -15.264 22.552 20.789 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -4.314 -22.490 10.847 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -4.164 -22.390 9.907 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -3.884 -21.720 11.237 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -16.579 -17.035 -13.480 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -17.169 -16.745 -12.780 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -16.119 -17.785 -13.110 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 22.014 -21.309 -8.991 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 22.724 -20.829 -9.421 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 22.204 -21.239 -8.061 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -6.907 7.553 -14.778 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -6.407 7.163 -14.058 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -7.497 8.163 -14.338 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -1.472 -19.632 -2.409 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -0.722 -19.222 -2.819 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -1.602 -20.442 -2.899 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -15.322 -4.306 7.074 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -14.432 -4.326 7.434 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -15.272 -3.646 6.374 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 -24.281 -5.306 15.656 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 -24.621 -4.746 16.366 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 -24.711 -6.156 15.806 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 18.959 6.475 8.562 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 18.309 5.945 8.092 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 19.649 6.645 7.912 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 -17.499 1.188 5.539 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 -17.129 0.308 5.499 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 -18.099 1.158 6.289 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 -18.185 -6.307 1.901 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 -18.015 -6.587 2.801 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 -18.195 -5.347 1.951 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.574 23.622 6.991 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.844 23.002 6.321 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -16.234 24.322 6.971 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -14.815 -19.088 -0.019 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -15.325 -19.278 -0.809 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -15.475 -19.038 0.681 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 7.898 -6.661 0.309 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 7.868 -6.981 1.209 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 8.548 -7.221 -0.131 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 -0.973 23.394 3.663 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 -1.173 22.604 4.163 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 -1.083 23.124 2.743 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 0.474 12.965 -18.473 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 0.294 12.025 -18.473 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 -0.186 13.335 -17.883 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 11.625 11.731 -20.420 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 12.355 11.261 -20.010 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 11.875 12.651 -20.380 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 9.967 8.970 20.885 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 10.337 9.550 20.215 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 9.547 9.570 21.505 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 -18.399 -11.267 -6.925 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 -18.819 -10.547 -7.395 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 -18.949 -12.027 -7.125 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 10.521 20.330 16.849 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 10.251 21.230 17.059 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 11.141 20.100 17.539 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 13.547 24.370 -25.148 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 14.287 24.530 -24.578 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 13.697 24.930 -25.908 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 -15.335 -22.723 4.901 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 -15.335 -22.373 4.011 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 -14.845 -22.093 5.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 -19.036 -14.393 9.607 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 -19.166 -13.933 10.427 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 -18.586 -13.763 9.037 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -6.657 8.365 19.300 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -6.637 9.045 18.630 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -7.137 7.645 18.900 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 23.145 -11.718 6.941 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 23.315 -11.308 7.791 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 23.795 -11.318 6.361 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 20.994 -23.299 -17.055 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 20.174 -23.139 -16.585 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 21.674 -22.959 -16.475 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 23.675 24.440 -16.033 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 24.195 25.220 -15.803 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 23.485 24.550 -16.963 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -23.296 10.759 5.312 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -24.216 10.559 5.432 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -23.286 11.669 5.022 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 10.804 -19.900 -5.134 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 11.514 -19.960 -5.774 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 11.244 -19.890 -4.284 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -4.455 -21.428 8.163 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -3.555 -21.148 8.353 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -4.505 -21.448 7.213 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 -14.895 18.650 -22.780 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 -14.865 17.700 -22.880 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 -14.005 18.940 -22.960 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 6.851 -7.147 18.945 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 6.671 -6.687 19.765 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 6.881 -8.077 19.205 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 22.027 19.563 6.212 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 21.737 19.873 5.352 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 22.687 18.893 6.022 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 7.657 -16.679 -17.235 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 6.997 -17.349 -17.035 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 7.157 -15.939 -17.575 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 9.464 -1.991 -14.811 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 8.734 -1.661 -14.281 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 10.244 -1.741 -14.311 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -13.853 -24.055 15.679 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -13.923 -23.105 15.679 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -14.683 -24.355 16.059 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 12.977 8.025 -19.911 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 13.587 8.725 -19.711 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 12.387 8.405 -20.561 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 20.329 2.741 18.265 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 20.239 2.501 17.345 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 21.229 3.061 18.345 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 21.887 -15.024 -12.488 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 21.817 -15.974 -12.648 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 22.487 -14.954 -11.748 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 10.271 0.183 -17.001 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 10.341 -0.287 -16.171 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 11.121 0.063 -17.421 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 0.763 -3.259 -21.795 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 0.773 -3.099 -22.735 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 -0.167 -3.229 -21.555 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 16.346 20.593 19.632 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 16.046 20.513 18.722 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 16.666 21.493 19.712 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 5.949 7.772 22.740 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 5.269 7.802 22.060 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 6.019 6.852 22.970 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 12.105 -19.222 9.692 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 12.685 -19.842 9.252 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 12.025 -19.572 10.582 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 -22.042 -23.324 3.611 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 -22.712 -23.274 2.931 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 -21.762 -22.424 3.741 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 7.778 -11.904 -11.650 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 8.668 -11.994 -11.980 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 7.308 -11.444 -12.340 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 3.900 18.114 8.679 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 3.730 17.384 9.289 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 3.490 18.874 9.099 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 24.066 3.139 0.182 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 23.486 3.899 0.202 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 23.496 2.389 0.352 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 7.368 9.935 10.671 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 7.748 9.795 9.811 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 7.908 9.385 11.261 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 2.215 -14.378 22.142 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 2.855 -14.958 21.732 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 2.035 -13.708 21.472 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 3.918 23.726 -20.148 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 3.758 24.376 -20.828 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 3.978 22.896 -20.618 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 20.610 16.109 16.142 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 20.810 16.869 16.682 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 20.100 15.539 16.712 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 -2.465 10.490 1.939 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 -2.755 10.350 1.039 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 -1.515 10.570 1.869 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 4.159 -1.656 16.697 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 5.039 -1.406 16.417 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 3.569 -1.046 16.247 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -18.512 -15.139 4.027 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -18.902 -14.489 4.597 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -17.682 -14.739 3.737 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 18.089 6.663 -11.284 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 17.169 6.393 -11.374 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 18.479 5.983 -10.724 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 0.165 24.422 -8.661 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 -0.235 23.672 -9.091 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 0.725 24.822 -9.321 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 10.825 -11.836 -12.494 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 11.295 -12.626 -12.234 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 11.045 -11.716 -13.424 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -0.281 1.647 10.459 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -0.891 2.057 11.079 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -0.831 1.367 9.729 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 20.226 -18.761 16.575 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 19.746 -19.331 15.985 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 21.146 -19.021 16.465 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 24.706 10.260 0.781 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 24.836 9.990 -0.129 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 25.136 9.580 1.301 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -22.731 19.260 9.634 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -22.681 20.160 9.314 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -22.191 18.760 9.014 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 -6.849 23.222 20.469 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 -7.109 22.432 20.949 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 -6.589 23.832 21.159 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 -17.103 6.711 -0.979 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 -18.033 6.501 -0.959 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 -16.703 6.011 -1.499 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 -6.411 -3.409 -11.134 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 -6.021 -4.249 -11.374 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 -6.331 -3.369 -10.184 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 -14.846 -4.701 11.861 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 -15.646 -4.521 11.381 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 -14.246 -5.051 11.211 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 20.934 18.609 10.109 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 21.294 17.899 9.579 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 21.564 18.719 10.829 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 23.020 13.850 15.948 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 23.960 13.970 16.078 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 22.720 14.710 15.658 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -6.555 -3.696 1.900 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -7.375 -3.426 2.330 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -6.045 -4.106 2.600 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 -0.862 -13.088 -19.691 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 -1.192 -12.848 -20.551 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 -1.612 -12.948 -19.111 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 19.919 6.336 11.272 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 20.859 6.226 11.112 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 19.529 6.286 10.402 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 25.159 21.511 17.813 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 24.539 22.091 17.373 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 25.509 20.961 17.113 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 13.418 19.906 0.821 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 13.268 19.606 -0.079 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 13.038 19.216 1.361 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -24.161 1.385 14.743 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -24.471 0.655 14.193 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -23.211 1.405 14.593 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 -16.825 8.793 23.056 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 -15.885 8.623 23.086 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 -16.945 9.383 22.316 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 6.307 -5.952 21.481 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 5.707 -6.552 21.931 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 6.957 -5.722 22.141 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 12.416 15.489 7.914 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 13.316 15.799 7.894 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 12.456 14.609 7.534 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -12.535 9.431 -9.157 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -11.745 9.471 -9.677 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -12.235 9.211 -8.277 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 13.689 -1.584 14.921 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 14.089 -2.354 14.501 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 12.969 -1.954 15.431 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 -22.812 19.671 13.001 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 -23.662 19.331 12.741 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 -22.342 18.911 13.361 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 14.798 14.939 -23.208 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 15.148 14.469 -23.958 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 15.568 15.229 -22.718 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -18.506 17.733 10.654 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -18.406 16.863 11.054 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -18.316 18.343 11.374 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 -13.324 -1.979 -22.138 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 -13.694 -1.239 -21.658 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 -13.784 -1.989 -22.968 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 10.241 10.022 11.468 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 10.641 9.152 11.418 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 10.521 10.362 12.318 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 4.464 18.405 -22.265 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 3.684 18.935 -22.065 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 4.554 18.475 -23.215 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 -17.380 3.529 14.999 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 -18.070 3.059 14.529 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 -17.830 3.889 15.759 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 -2.161 -5.701 -10.403 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 -3.081 -5.921 -10.543 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 -1.771 -5.761 -11.273 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 -24.267 24.611 8.702 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 -24.387 23.721 8.372 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 -23.677 24.511 9.452 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 -20.806 8.288 -0.798 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 -20.446 7.578 -1.328 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 -20.066 8.578 -0.258 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 9.886 -18.670 1.065 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 9.806 -17.720 1.115 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 9.956 -18.860 0.125 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 -12.333 2.226 22.586 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 -13.083 1.656 22.416 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 -12.713 3.106 22.686 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -13.311 -12.007 2.616 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -12.941 -12.717 3.146 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -13.641 -12.437 1.826 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 17.030 11.135 -18.631 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 16.770 11.225 -17.711 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 16.770 11.965 -19.031 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 2.799 -10.798 16.184 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 2.629 -10.658 15.244 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 3.059 -11.718 16.234 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -1.955 2.076 18.689 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -1.925 1.196 18.299 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -1.865 1.926 19.629 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 11.556 23.659 -13.162 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 11.556 23.239 -12.302 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 12.406 24.099 -13.202 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -9.896 24.105 -10.689 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -10.186 23.465 -11.339 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -9.836 24.935 -11.169 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 6.395 -0.231 -7.419 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 5.685 -0.771 -7.769 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 7.165 -0.781 -7.469 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 2.414 0.594 -3.965 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 3.364 0.474 -3.925 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 2.114 -0.066 -4.585 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 -3.224 11.332 -16.173 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 -3.684 11.972 -15.633 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 -3.634 10.492 -15.963 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -25.265 22.219 -17.102 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -25.005 23.099 -17.352 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -24.455 21.709 -17.152 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 12.975 -11.410 -14.439 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 13.265 -12.190 -13.959 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 12.265 -11.720 -14.999 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 -21.221 -8.757 19.655 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 -21.881 -8.967 20.315 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 -20.991 -7.837 19.825 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -9.767 -16.469 -19.158 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -9.587 -15.539 -19.018 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -8.957 -16.919 -18.918 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 10.991 -18.364 7.481 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 10.271 -18.984 7.511 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 11.551 -18.604 8.211 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.015 -20.018 13.831 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 6.545 -19.188 13.801 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 6.775 -20.398 14.671 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 -0.739 -11.741 17.143 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 -0.319 -12.601 17.143 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 -1.359 -11.781 17.873 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 -24.013 -2.644 -17.031 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 -23.733 -3.314 -16.401 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 -23.433 -1.904 -16.881 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 23.886 -14.874 17.059 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 24.756 -15.144 16.749 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 23.876 -15.134 17.979 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 2.980 -15.908 -18.179 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 2.180 -15.698 -17.689 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 2.930 -15.348 -18.959 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 2.319 15.654 3.137 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 1.509 15.344 2.717 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 2.979 15.014 2.867 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 -11.142 5.048 -8.929 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 -10.492 4.718 -8.329 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 -11.382 4.298 -9.479 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 -11.065 -24.093 -18.138 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 -11.875 -24.443 -18.508 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 -10.365 -24.443 -18.698 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 13.787 6.739 7.515 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 13.297 6.249 6.855 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 13.897 6.119 8.235 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 11.314 16.921 -3.162 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 10.974 17.531 -2.502 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 11.424 17.451 -3.952 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -21.093 -2.765 -11.886 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -21.313 -3.685 -11.986 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -21.033 -2.625 -10.936 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -19.445 -10.891 -18.165 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -18.755 -11.521 -17.995 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -19.895 -11.231 -18.935 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -22.764 -1.275 23.452 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -22.664 -1.345 24.392 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -23.084 -0.385 23.312 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 19.180 9.005 -15.771 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 19.540 9.735 -16.271 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 18.820 9.415 -14.971 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -18.241 -22.616 -21.176 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -18.281 -23.436 -20.686 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -19.041 -22.606 -21.706 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -5.530 15.272 -0.167 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.780 15.182 0.753 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -6.370 15.352 -0.637 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 -8.683 -21.259 -11.948 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 -9.253 -20.529 -11.728 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 -7.953 -20.859 -12.428 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -6.605 -23.492 24.266 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -5.915 -23.952 24.746 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -6.515 -23.792 23.366 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -13.866 -12.333 13.852 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -13.776 -13.243 14.142 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -13.236 -12.233 13.142 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 8.924 -4.856 15.855 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 8.404 -5.536 16.285 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 9.164 -4.246 16.555 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 3.966 -13.390 10.826 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 4.486 -14.110 11.186 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 3.056 -13.660 10.986 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 4.799 -10.137 -17.841 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.739 -10.267 -17.961 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 4.679 -9.187 -17.911 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 15.241 18.531 13.972 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 16.061 18.131 14.272 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 15.461 18.911 13.112 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -22.301 -6.495 3.008 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -22.731 -5.685 2.728 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -21.541 -6.565 2.428 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 -3.011 14.339 -23.305 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 -3.731 13.879 -23.735 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 -2.901 15.139 -23.825 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 22.198 -16.698 -21.965 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 21.568 -17.068 -22.575 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 22.278 -17.358 -21.275 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 15.839 -0.818 22.965 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 15.469 -0.828 22.085 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 15.989 0.112 23.155 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -3.625 13.327 13.959 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -3.285 13.987 14.569 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -2.995 13.327 13.239 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 13.680 15.987 -0.321 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 14.590 15.697 -0.301 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 13.730 16.927 -0.531 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -2.367 16.241 24.416 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -1.507 15.951 24.126 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -2.187 16.941 25.046 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 -20.644 20.802 -11.367 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 -21.414 20.572 -11.897 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 -20.704 21.752 -11.277 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 14.344 -16.027 23.205 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 14.734 -16.857 23.505 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 13.794 -16.277 22.465 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 6.896 7.504 16.019 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 7.736 7.934 16.199 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 6.466 7.454 16.869 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 -13.170 16.459 -12.668 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 -13.220 17.169 -12.028 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -12.250 16.199 -12.668 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 -21.275 14.714 17.779 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 -20.675 15.044 17.109 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 -21.285 13.764 17.649 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 14.014 18.472 -1.663 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 14.314 17.792 -2.263 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 13.064 18.392 -1.653 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 18.271 21.152 -14.138 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 19.201 21.052 -14.308 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 18.071 20.522 -13.448 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 -15.950 -15.504 -0.798 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 -15.240 -15.864 -0.268 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 -15.830 -14.554 -0.748 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 14.781 23.790 -18.454 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 15.071 23.430 -19.294 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 13.941 24.220 -18.654 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 10.445 -19.739 23.440 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 10.455 -19.419 22.540 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 11.055 -20.479 23.440 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -12.746 -21.628 -14.305 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -12.576 -22.438 -13.815 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -13.646 -21.718 -14.605 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 9.117 -12.608 -8.925 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 8.887 -12.268 -9.785 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 8.277 -12.808 -8.515 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -15.527 19.423 -20.030 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -15.887 18.533 -19.950 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -15.127 19.433 -20.900 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 0.897 10.771 6.276 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 1.317 10.921 5.426 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 -0.043 10.811 6.086 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 1.704 13.657 13.409 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 1.084 14.207 12.949 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 1.874 14.117 14.229 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 -11.676 -12.643 -10.734 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 -11.626 -12.433 -9.794 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 -10.856 -13.103 -10.924 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -4.887 10.472 16.529 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -5.017 9.712 17.089 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -4.797 10.112 15.649 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 12.206 -17.378 -25.155 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 13.016 -17.048 -24.765 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 11.846 -16.618 -25.615 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 -1.730 -2.085 -15.711 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 -2.500 -2.155 -16.271 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 -1.750 -1.195 -15.381 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -1.485 3.404 -22.954 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -1.815 4.124 -23.484 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -0.615 3.234 -23.314 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -9.909 -20.869 19.624 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -10.399 -21.579 19.224 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -9.119 -21.279 19.974 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -21.162 -12.425 7.256 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -21.602 -12.475 8.106 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -21.442 -11.595 6.886 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -13.609 -14.758 9.199 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -13.939 -13.888 9.429 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -14.269 -15.358 9.529 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 7.391 8.529 -14.493 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 8.221 8.469 -14.953 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 7.381 7.789 -13.893 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 -4.084 13.520 5.688 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 -4.064 12.850 5.008 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 -4.884 13.330 6.188 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 -13.125 20.900 -1.028 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 -13.255 21.180 -1.928 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 -12.355 20.320 -1.068 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 -3.824 -0.987 -17.156 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 -3.524 -1.177 -18.046 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 -4.634 -0.497 -17.276 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 18.456 -11.428 -18.175 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 17.696 -11.388 -17.585 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 18.176 -10.948 -18.955 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 22.849 18.803 23.730 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 23.019 17.963 24.170 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 23.599 18.933 23.160 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 20.685 -19.697 2.452 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 19.835 -19.967 2.792 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 21.295 -19.847 3.172 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -1.803 12.802 -10.434 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -0.953 12.362 -10.444 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -2.113 12.742 -11.334 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 -20.405 0.596 -18.258 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 -20.365 -0.324 -17.988 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 -19.505 0.806 -18.508 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 3.699 -11.235 24.299 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 3.629 -10.455 23.749 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 2.849 -11.315 24.729 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 10.366 6.729 -21.058 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 10.826 7.239 -21.718 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 9.896 7.389 -20.538 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 4.278 -23.341 21.276 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 5.048 -23.881 21.446 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 3.948 -23.121 22.146 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -12.023 0.932 -1.435 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -11.413 1.672 -1.495 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -11.893 0.452 -2.245 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 9.373 21.392 13.706 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 9.303 20.982 14.566 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 10.113 20.962 13.296 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 13.745 19.424 -24.915 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 13.325 20.274 -24.795 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 13.035 18.794 -24.795 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 9.757 -19.315 -8.705 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 9.837 -19.455 -7.755 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 10.237 -20.035 -9.095 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 -7.823 -0.412 6.796 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 -7.833 -0.512 5.836 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 -7.063 0.138 6.966 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 21.796 13.275 -15.131 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 22.716 13.005 -15.161 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 21.476 12.955 -14.281 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.951 3.712 -22.368 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -14.561 4.152 -23.128 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -15.061 2.802 -22.658 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -3.810 -15.509 3.422 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -3.510 -14.849 2.802 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -4.570 -15.909 2.992 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 5.746 -5.737 -15.888 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 5.786 -6.687 -15.958 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 4.896 -5.507 -16.248 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 23.769 -24.464 23.129 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 24.549 -24.924 22.849 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 23.149 -25.164 23.359 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 -6.312 -4.999 -16.822 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 -6.362 -5.959 -16.832 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 -5.452 -4.809 -16.442 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -13.105 22.744 11.977 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -12.975 23.434 11.327 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -13.685 23.124 12.627 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 11.885 -0.207 9.628 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 12.255 0.653 9.418 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 12.195 -0.377 10.518 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 8.735 -16.845 -20.768 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 7.965 -16.285 -20.838 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 8.785 -17.085 -19.838 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 23.736 10.708 -19.131 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 24.316 11.458 -19.211 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 22.986 11.038 -18.641 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 7.314 6.066 -7.234 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 6.404 5.766 -7.284 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 7.294 6.936 -7.644 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 -18.196 2.272 -0.219 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 -18.966 2.352 0.331 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 -17.466 2.542 0.331 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 8.639 21.734 -12.461 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 9.289 22.314 -12.061 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 8.589 22.014 -13.371 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 6.289 7.435 -17.481 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 6.449 7.125 -16.591 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 5.369 7.685 -17.481 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -11.536 -19.887 22.439 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -10.996 -20.327 21.779 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -11.216 -20.227 23.269 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 -24.325 -18.298 -17.536 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 -23.755 -18.568 -16.806 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 -25.205 -18.288 -17.156 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 -4.835 14.410 -6.111 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 -5.515 15.090 -6.071 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 -4.865 14.100 -7.011 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 -10.062 -1.890 -0.272 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 -9.112 -1.740 -0.372 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 -10.382 -2.020 -1.162 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 24.134 16.523 -23.657 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 23.614 16.273 -22.887 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 23.514 16.513 -24.377 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -13.946 5.235 20.940 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -14.096 5.115 21.880 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -14.676 4.795 20.520 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 13.196 7.480 19.271 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 13.036 8.210 19.871 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 14.046 7.680 18.871 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 -8.201 -10.610 -19.944 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 -8.021 -9.670 -19.884 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 -7.541 -11.020 -19.384 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -7.813 10.172 4.111 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -8.153 10.072 3.221 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -8.233 10.962 4.451 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 0.126 -5.784 -18.702 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 0.016 -5.784 -19.652 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 1.006 -5.444 -18.562 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 12.008 5.792 5.591 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.948 4.932 5.161 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.288 5.792 6.221 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 0.178 11.689 -7.498 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 0.438 12.499 -7.918 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -0.702 11.519 -7.818 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -11.115 -10.308 21.451 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.815 -10.088 20.841 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -10.345 -9.858 21.101 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -1.961 18.619 -6.278 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -2.201 18.169 -5.468 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -1.511 19.419 -5.988 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -11.065 -7.683 1.366 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -11.565 -7.343 2.106 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -10.985 -8.623 1.536 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 12.641 13.018 -14.326 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 12.081 12.238 -14.326 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 12.041 13.728 -14.086 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 11.276 18.539 8.207 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 11.896 18.659 8.937 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 11.306 17.599 8.027 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 -1.253 4.135 9.157 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 -1.363 4.805 9.837 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 -0.483 3.635 9.437 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -14.148 6.512 12.889 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -14.079 5.592 12.659 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -15.069 6.622 13.149 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 -20.937 -21.028 -19.365 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 -21.307 -21.878 -19.595 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 -19.997 -21.158 -19.385 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 13.574 -18.015 16.017 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 12.864 -18.465 16.467 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 13.124 -17.435 15.397 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 -5.709 -24.699 -6.303 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 -5.069 -25.379 -6.543 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 -5.698 -24.089 -7.033 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 18.877 14.638 -4.671 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 18.677 14.978 -3.801 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 19.037 13.698 -4.521 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -15.163 -9.694 22.385 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -14.333 -9.204 22.405 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -15.833 -9.034 22.495 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 0.470 -22.766 -11.266 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 0.700 -23.646 -10.976 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 -0.240 -22.906 -11.896 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 2.613 15.868 -22.898 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 3.293 16.038 -22.248 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 2.693 14.928 -23.098 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 -19.567 -5.405 21.963 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 -20.277 -5.585 22.583 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 -19.367 -4.475 22.073 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -10.081 8.345 -24.725 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -10.121 8.345 -25.685 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -9.771 9.215 -24.495 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 -3.177 14.180 0.384 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 -3.517 14.060 1.274 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 -3.937 14.470 -0.126 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 15.057 4.498 22.909 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 14.127 4.568 23.109 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 15.177 5.058 22.149 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.206 -20.364 9.792 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 9.686 -21.184 9.892 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.516 -19.814 10.512 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 22.377 -12.907 18.449 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 23.037 -13.457 18.039 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 21.927 -12.477 17.719 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 9.326 -11.875 -21.421 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 9.276 -11.975 -22.371 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 8.726 -11.145 -21.231 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 -1.510 10.864 -21.068 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 -1.640 10.734 -20.138 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 -2.030 11.644 -21.278 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 13.561 -23.987 7.806 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 13.591 -23.027 7.906 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 13.641 -24.127 6.866 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 21.004 24.121 -4.591 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 20.164 24.301 -4.181 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 21.404 23.451 -4.031 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 -19.226 -24.290 3.729 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -20.156 -24.520 3.749 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 -18.876 -24.800 2.999 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 -6.942 -9.303 22.361 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 -7.612 -9.453 23.031 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 -7.442 -9.103 21.571 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 22.486 -4.148 5.485 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 23.206 -4.358 6.075 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 21.766 -3.888 6.065 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -12.133 -12.800 -18.991 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -12.643 -12.950 -18.201 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -11.463 -12.170 -18.731 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 4.438 -11.018 -22.745 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 3.638 -11.478 -22.485 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 4.258 -10.098 -22.525 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 -8.762 23.393 -3.905 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 -8.102 23.113 -4.535 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 -9.502 23.683 -4.445 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 16.569 14.162 0.731 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 16.879 14.242 -0.169 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 17.019 14.862 1.201 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.001 -23.647 -7.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 0.879 -23.297 -7.405 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 -0.031 -24.427 -7.825 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 1.616 -0.223 9.392 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 1.856 0.517 8.832 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 1.246 0.187 10.172 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 -4.806 22.560 2.282 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 -4.326 23.390 2.222 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 -4.176 21.900 1.992 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 -21.796 0.420 0.731 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 -22.256 0.310 -0.099 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 -21.346 1.270 0.651 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 -5.733 -0.487 24.860 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 -6.593 -0.517 24.430 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 -5.543 -1.387 25.100 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 20.831 -2.731 3.326 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 20.601 -3.051 4.206 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 20.292 -3.261 2.736 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -3.316 -18.423 7.330 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -3.456 -18.573 6.400 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -4.196 -18.403 7.700 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 -18.756 -0.861 -0.617 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 -19.426 -0.951 -1.297 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 -18.626 0.089 -0.537 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 20.113 9.845 -7.158 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 20.723 9.605 -6.458 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 20.663 9.935 -7.938 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 9.647 4.471 11.037 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 9.627 4.801 11.937 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 8.997 3.781 11.017 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 -22.355 20.882 4.240 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 -21.615 20.272 4.180 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 -22.055 21.662 3.760 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 -1.941 5.765 -20.220 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 -1.101 5.815 -20.680 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 -1.761 5.185 -19.480 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 17.523 -4.747 -5.538 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 18.343 -4.907 -5.078 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 17.213 -3.907 -5.218 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 18.046 -1.661 24.922 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 18.966 -1.421 24.822 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 17.616 -1.261 24.162 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 -24.271 15.935 9.881 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 -24.961 16.255 9.311 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 -24.721 15.395 10.541 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -21.743 -6.169 -5.053 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -22.053 -5.399 -5.523 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -22.103 -6.089 -4.173 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 7.381 17.648 -20.258 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 8.151 18.048 -20.668 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 7.681 16.778 -19.998 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 -6.242 -17.538 -9.730 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 -6.842 -17.158 -10.360 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 -6.132 -18.448 -10.020 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 20.443 -5.550 -7.450 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 21.323 -5.430 -7.810 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 20.593 -5.830 -6.540 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -21.137 16.367 20.742 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -20.817 15.507 20.482 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -20.707 16.537 21.582 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 -24.069 -24.347 21.741 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 -24.149 -25.057 21.101 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 -24.119 -23.547 21.221 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 -25.006 2.432 2.591 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 -25.916 2.162 2.441 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 -24.686 2.692 1.721 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 -22.148 -5.691 -12.480 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 -21.999 -6.481 -11.970 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 -22.549 -6.001 -13.290 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 20.075 5.140 -25.241 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 20.615 4.360 -25.161 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 20.635 5.850 -24.921 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 -6.725 11.813 24.717 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 -6.075 12.273 25.257 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 -6.455 10.903 24.737 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 -18.950 4.057 -23.958 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 -19.690 3.757 -23.438 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 -18.980 3.537 -24.758 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 24.381 16.236 -18.495 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 25.041 15.996 -19.145 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 23.891 15.426 -18.345 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -5.225 -2.684 -8.438 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -4.495 -2.064 -8.398 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -5.835 -2.374 -7.768 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 -22.839 -16.797 -19.495 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 -23.259 -17.527 -19.055 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 -22.399 -17.187 -20.245 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 14.184 -19.685 -17.845 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 13.534 -20.035 -17.235 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 14.044 -18.735 -17.835 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 -9.072 7.511 13.729 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 -8.852 7.101 12.889 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 -9.992 7.321 13.859 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 13.500 4.402 16.307 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 13.070 4.892 15.607 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 12.780 4.142 16.897 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 16.701 9.547 -25.041 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 15.991 9.897 -25.591 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 17.201 10.327 -24.781 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 5.035 19.128 -24.881 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 4.965 18.638 -25.701 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 4.795 20.028 -25.111 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 -14.262 1.686 -19.996 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 -13.372 1.346 -20.116 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 -14.802 1.116 -20.546 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 19.539 3.300 7.344 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 20.349 3.500 7.814 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 19.809 3.170 6.444 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -2.924 -16.145 -20.019 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -2.094 -16.575 -20.239 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -2.764 -15.725 -19.179 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 9.864 -5.272 24.971 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 10.284 -5.532 24.151 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 10.444 -4.592 25.321 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -22.805 17.039 -13.414 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -22.595 16.309 -14.004 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -22.755 16.649 -12.534 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 -23.593 -0.803 -20.858 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -23.743 -1.403 -21.588 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -24.093 -1.173 -20.128 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 -2.159 -1.098 0.767 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 -2.849 -1.108 0.107 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 -1.989 -0.168 0.927 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 11.010 22.995 -1.894 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 11.810 23.525 -1.804 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 10.920 22.865 -2.834 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 18.615 19.250 12.159 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 19.165 19.260 12.929 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 19.225 19.230 11.419 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 23.813 9.477 -14.965 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 24.553 10.067 -15.105 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 23.383 9.807 -14.185 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 -14.677 -20.696 23.656 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 -13.967 -20.056 23.756 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 -15.427 -20.276 24.086 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 3.597 -7.963 -24.064 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 4.107 -8.493 -24.674 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 4.237 -7.693 -23.394 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 15.743 -5.581 16.590 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 15.503 -4.671 16.730 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 15.523 -5.751 15.680 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -3.733 8.414 11.582 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -3.013 8.884 11.172 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -3.723 7.554 11.152 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -19.980 -0.801 24.676 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -20.860 -1.001 24.366 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -19.460 -1.571 24.446 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -18.253 1.640 -21.645 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -18.003 2.470 -21.255 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -19.163 1.510 -21.385 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 -10.717 15.401 -8.204 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 -10.297 14.621 -8.554 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 -10.307 15.521 -7.344 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 9.680 -1.357 14.876 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 10.320 -1.737 15.476 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 9.350 -2.107 14.376 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -13.724 -16.276 16.392 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -14.324 -16.256 17.142 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -12.894 -15.956 16.752 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -3.996 -3.883 -20.269 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -3.636 -3.203 -19.699 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -4.046 -4.653 -19.719 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 5.425 -23.440 -16.465 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 4.535 -23.110 -16.375 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 5.415 -24.280 -16.005 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 -22.850 -0.269 -16.658 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 -22.290 0.491 -16.818 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 -23.580 0.071 -16.148 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 5.816 -3.854 -24.953 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 5.286 -3.084 -25.163 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 6.566 -3.514 -24.463 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 -14.587 12.620 -1.015 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 -15.407 13.050 -0.785 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 -14.797 11.680 -1.005 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 24.746 -24.237 -22.897 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 25.006 -23.327 -22.777 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 23.976 -24.347 -22.337 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -21.251 18.661 -18.013 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -22.111 18.981 -18.303 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -20.671 19.421 -18.103 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 22.753 1.581 -23.841 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 23.283 0.811 -24.041 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 23.393 2.281 -23.691 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 5.248 21.308 13.805 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 4.408 21.778 13.805 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 5.008 20.408 13.575 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 18.220 -11.138 -14.633 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 18.530 -11.398 -13.763 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 18.660 -10.308 -14.803 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 6.613 -1.909 -1.484 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 7.003 -1.219 -0.944 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 5.753 -2.059 -1.094 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 12.484 -23.528 13.933 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 12.364 -24.178 14.623 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 12.774 -24.028 13.173 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 10.884 24.678 15.453 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 10.034 25.038 15.213 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 11.094 24.068 14.743 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 0.218 -0.142 -10.799 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -0.132 -0.382 -11.649 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -0.542 -0.132 -10.219 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 -1.527 24.100 12.047 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 -1.077 24.320 11.237 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 -1.007 23.390 12.427 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 24.398 -1.728 19.215 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 24.968 -2.468 19.425 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 24.788 -1.358 18.425 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 5.538 12.241 -14.904 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 4.748 12.481 -14.414 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 6.228 12.201 -14.244 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -6.889 20.442 -4.183 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -6.409 20.382 -5.003 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -7.549 21.122 -4.343 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 10.066 16.415 20.036 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 11.026 16.395 19.986 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 9.776 16.175 19.156 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 -18.810 24.316 1.785 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 -18.920 24.576 0.875 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 -17.980 23.836 1.795 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 24.621 8.626 -6.838 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 24.601 7.966 -7.528 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 23.941 9.256 -7.078 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 -15.349 1.698 -17.299 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 -15.379 0.948 -16.719 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 -15.289 1.318 -18.179 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 20.131 21.962 -11.202 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 20.401 21.412 -11.942 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 20.601 21.602 -10.452 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 22.630 8.265 -23.248 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 21.730 7.965 -23.398 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 23.140 7.465 -23.158 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -10.625 17.047 0.320 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -10.505 16.177 0.700 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -10.735 17.627 1.070 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 14.234 16.042 -3.989 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 13.334 15.882 -3.729 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 14.334 15.582 -4.819 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 16.166 -21.837 23.572 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 17.076 -21.587 23.402 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 15.796 -21.117 24.082 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 20.011 2.406 0.597 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 20.451 2.046 -0.163 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 20.141 1.756 1.287 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 12.560 8.404 -6.259 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 13.210 8.154 -5.599 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 11.730 8.104 -5.889 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 0.388 -19.069 -4.411 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 0.918 -18.269 -4.401 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 0.838 -19.649 -5.021 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -1.141 16.124 -4.716 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -0.981 15.644 -3.906 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -1.061 17.044 -4.476 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 13.895 19.315 -13.288 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 14.045 19.085 -14.208 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 14.065 20.255 -13.248 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -12.816 -12.096 -21.432 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -13.016 -12.496 -20.582 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -12.506 -11.216 -21.222 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 -22.016 -15.341 13.202 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 -22.126 -14.891 14.042 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 -21.146 -15.741 13.252 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 6.089 -22.383 -0.036 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 5.799 -22.983 -0.716 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 6.119 -21.523 -0.466 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -16.919 14.588 -10.726 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -16.079 14.278 -11.056 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -16.989 15.488 -11.036 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -20.625 12.392 -9.408 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -21.415 12.452 -8.878 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -20.815 12.922 -10.188 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 7.195 23.093 13.229 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 7.955 22.563 13.459 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 6.445 22.563 13.519 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 0.005 15.483 11.846 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 0.625 15.673 11.146 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 -0.575 16.243 11.866 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 16.006 11.855 -21.478 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 16.766 12.395 -21.708 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 15.526 11.745 -22.298 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 16.230 16.514 -14.338 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 16.760 16.114 -15.028 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 16.110 15.824 -13.688 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 4.301 -2.311 21.282 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 4.341 -1.411 20.952 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 5.221 -2.571 21.372 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 -10.027 -8.101 20.116 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 -9.177 -7.711 20.296 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 -10.607 -7.361 19.956 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 21.475 18.142 17.819 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 21.985 17.712 18.509 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 20.785 18.602 18.299 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 15.694 -7.929 -3.065 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 16.504 -7.739 -3.535 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 15.924 -8.669 -2.495 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 -3.783 -9.892 10.162 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 -3.863 -10.812 9.912 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 -3.223 -9.902 10.942 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 -23.236 12.609 -21.761 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 -22.546 12.849 -22.391 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 -23.346 11.669 -21.881 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 21.165 -10.431 1.422 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 21.915 -10.981 1.182 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 21.245 -9.671 0.852 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 17.654 19.523 -7.373 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 17.844 18.703 -7.823 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 16.854 19.853 -7.793 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 14.980 10.031 -16.492 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 15.030 10.971 -16.332 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 14.060 9.871 -16.702 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 7.551 -12.579 -17.951 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 7.181 -12.179 -18.741 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 7.221 -13.479 -17.961 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 -2.842 -13.858 10.032 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 -3.322 -13.498 9.292 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 -2.032 -13.358 10.062 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 18.497 20.398 -5.141 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 18.107 19.998 -5.921 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 19.017 21.128 -5.491 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 14.778 -20.565 -14.469 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 15.508 -21.185 -14.429 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 15.188 -19.705 -14.439 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 -20.521 3.376 11.965 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 -19.971 4.156 11.975 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 -20.131 2.796 12.625 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -7.861 -5.450 -22.676 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -7.361 -4.670 -22.426 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -7.701 -6.080 -21.966 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 15.179 10.765 -3.941 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 14.479 10.815 -3.281 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 15.869 11.325 -3.601 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -0.059 20.722 21.959 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -0.059 21.632 22.239 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -0.459 20.232 22.679 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -20.709 3.893 -16.518 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -21.189 3.303 -17.108 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -21.219 3.903 -15.718 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 -13.627 21.353 -3.987 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 -13.847 22.283 -3.967 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 -13.267 21.213 -4.867 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -13.055 13.365 -19.848 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -12.335 13.525 -20.448 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -13.615 12.725 -20.298 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 -7.692 19.106 20.266 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 -7.262 18.636 19.546 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 -8.032 18.416 20.836 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 16.684 -11.034 6.925 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 16.744 -11.714 6.255 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 17.434 -11.204 7.505 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 -18.112 -13.040 -19.770 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 -17.572 -13.470 -19.110 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 -17.692 -13.260 -20.610 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 17.779 -23.751 -2.679 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 16.919 -23.451 -2.379 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 17.699 -24.701 -2.749 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 4.316 -24.316 -12.061 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 4.356 -24.276 -13.011 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 4.066 -23.426 -11.801 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -12.715 20.584 -12.871 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -13.025 19.864 -13.421 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -13.275 21.324 -13.101 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 14.245 17.545 17.542 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 14.715 18.325 17.242 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 13.395 17.595 17.102 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 16.528 -19.024 9.156 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 16.908 -19.424 9.936 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 16.158 -18.204 9.476 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 -1.582 16.480 -19.915 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 -1.082 16.270 -19.125 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 -2.422 16.790 -19.595 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 14.927 6.073 4.238 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 15.117 5.303 4.768 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 13.977 6.063 4.128 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 5.835 23.826 -6.042 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 5.345 24.186 -6.782 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 6.425 24.536 -5.772 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 10.870 -23.822 -13.031 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 11.470 -23.092 -13.201 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 11.410 -24.462 -12.571 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -15.904 -24.282 11.791 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -16.624 -23.682 11.571 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -15.924 -24.942 11.091 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 -25.239 -0.794 -18.805 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -24.539 -0.274 -18.405 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 -25.259 -1.604 -18.295 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -23.265 2.218 -0.648 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -23.365 2.428 0.272 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -23.565 2.998 -1.108 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 22.492 -10.938 12.031 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 22.111 -10.108 12.311 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 21.882 -11.598 12.341 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 10.849 0.455 18.950 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 10.289 1.245 18.900 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 11.679 0.725 18.570 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 -17.756 11.830 -11.666 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 -18.246 12.410 -11.086 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 -16.876 12.210 -11.696 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 -11.967 16.372 -2.502 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 -11.727 15.482 -2.242 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 -12.587 16.662 -1.842 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -16.209 -1.966 9.116 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -15.809 -1.916 8.246 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -15.679 -2.626 9.576 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 22.751 -0.179 17.489 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 23.361 -0.919 17.469 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 23.311 0.591 17.439 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -22.524 -8.265 23.499 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -21.994 -8.255 24.289 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -22.034 -8.825 22.889 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 -20.001 23.613 8.419 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 -19.101 23.333 8.549 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 -20.221 23.353 7.529 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 20.776 -10.228 -17.283 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 19.926 -10.538 -17.613 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 21.216 -9.888 -18.053 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 24.768 -7.507 13.819 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 24.828 -6.647 13.399 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 24.918 -7.327 14.749 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 12.197 -2.309 -4.753 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 11.837 -3.189 -4.613 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 11.717 -1.969 -5.513 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 11.844 7.133 11.772 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 11.234 6.623 11.232 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 11.554 6.953 12.672 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -11.873 8.312 21.816 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -12.303 8.972 21.276 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -11.023 8.692 22.036 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 7.973 -15.027 7.902 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 7.333 -15.137 7.202 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 8.743 -14.677 7.472 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -4.192 10.497 -5.643 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -3.882 10.677 -4.753 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 -3.392 10.367 -6.143 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 -12.583 -1.082 -15.634 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 -11.933 -0.372 -15.574 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 -12.833 -1.262 -14.734 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 22.101 19.122 12.596 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 21.371 19.742 12.596 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 22.201 18.872 13.516 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 -20.769 6.811 -8.994 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 -21.659 6.871 -8.634 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 -20.839 6.181 -9.704 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 13.747 12.192 0.296 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 12.847 12.442 0.466 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 14.217 13.022 0.216 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 24.737 16.230 14.150 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 24.857 15.530 13.520 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 25.087 17.010 13.720 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 -24.770 -8.165 -11.051 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 -25.640 -7.865 -11.301 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 -24.380 -8.495 -11.861 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -18.592 12.682 4.524 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -17.672 12.892 4.674 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -18.852 12.162 5.284 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 -22.796 -4.850 -15.614 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 -21.996 -5.260 -15.954 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 -23.386 -5.590 -15.454 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 -9.239 -17.344 -6.733 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 -9.889 -18.044 -6.833 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 -8.789 -17.554 -5.913 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 16.359 -2.390 -23.431 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 17.179 -2.100 -23.831 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 16.419 -2.090 -22.531 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 -7.684 11.722 0.358 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 -6.924 11.672 -0.222 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 -8.184 12.472 0.038 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 1.783 5.794 -8.895 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 0.923 5.964 -8.515 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 1.663 5.004 -9.405 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 -17.209 -19.609 -3.595 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 -17.049 -18.699 -3.365 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 -18.159 -19.699 -3.555 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 11.956 12.964 7.132 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 11.666 12.684 8.002 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 11.366 12.514 6.522 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 -18.442 -4.185 -12.528 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 -17.802 -3.685 -13.038 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 -18.282 -3.915 -11.628 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -12.206 -3.094 -9.208 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -12.896 -2.514 -8.878 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -12.666 -3.844 -9.558 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 10.132 11.673 5.506 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 9.451 12.283 5.216 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 9.691 10.813 5.506 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 -15.064 2.951 16.467 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 -15.744 3.421 15.987 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 -15.004 3.411 17.297 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 -0.461 -16.762 11.491 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 -0.731 -16.942 10.591 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 -1.261 -16.532 11.941 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 -18.961 -2.287 -9.201 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 -18.841 -2.367 -8.251 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 -18.081 -2.367 -9.561 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 17.846 9.911 10.285 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 18.006 8.971 10.295 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 16.936 10.001 10.005 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -2.010 21.067 12.179 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -2.260 20.407 12.829 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -2.740 21.687 12.169 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 -22.147 6.232 16.747 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 -21.937 6.512 15.857 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 -22.977 5.752 16.657 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 2.195 -21.326 22.648 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 1.335 -20.926 22.528 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 2.135 -21.766 23.488 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -20.750 3.133 0.819 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -20.780 3.793 0.129 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -21.090 3.573 1.589 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 23.999 6.813 1.678 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 24.839 6.643 1.258 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 23.349 6.463 1.078 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 -24.515 -23.740 13.371 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 -24.145 -23.800 12.501 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 -25.405 -24.080 13.281 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 -4.716 -12.036 -8.618 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 -4.916 -11.126 -8.388 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 -4.136 -12.326 -7.908 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 20.191 9.635 17.796 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 20.571 10.425 17.406 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 20.001 9.075 17.046 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 17.995 6.484 -17.530 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 17.575 7.214 -17.090 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 18.915 6.744 -17.600 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 10.788 8.220 4.623 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 10.988 7.970 3.723 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 11.088 7.480 5.143 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -21.479 13.412 4.962 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -21.169 13.212 5.842 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -20.899 12.922 4.382 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -8.143 -24.675 19.447 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -9.073 -24.675 19.637 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -7.953 -25.575 19.167 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 2.439 -24.788 -16.706 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 1.629 -24.298 -16.516 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 2.489 -25.448 -16.026 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.201 -10.790 -0.314 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -3.091 -10.420 0.566 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -2.751 -11.630 -0.274 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 18.050 15.975 1.759 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 18.180 15.495 2.569 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 17.950 16.885 2.029 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 0.236 21.986 18.319 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 0.986 22.176 18.889 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 0.346 21.066 18.079 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 23.531 2.133 12.882 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 23.271 2.753 13.562 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 23.421 1.273 13.282 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 22.990 -12.011 -15.280 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 23.170 -11.451 -16.030 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 22.510 -12.761 -15.640 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 21.079 18.561 1.296 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 21.689 19.271 1.506 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 21.489 17.781 1.656 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 3.524 22.364 7.446 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 4.414 22.094 7.686 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 3.644 22.874 6.646 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 24.245 20.045 -21.353 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 24.095 19.795 -20.443 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 25.185 20.215 -21.413 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 2.420 20.621 10.026 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 1.490 20.811 10.156 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 2.790 21.431 9.666 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 6.950 14.872 -2.866 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 6.480 15.142 -2.086 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 6.280 14.802 -3.546 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 9.294 6.092 -15.743 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 9.904 6.822 -15.813 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 9.644 5.422 -16.333 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 22.234 21.354 -25.328 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 22.814 21.814 -24.718 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 22.704 20.554 -25.548 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 1.526 -3.241 -10.194 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 1.826 -3.471 -11.074 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 1.586 -2.291 -10.154 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 3.117 12.204 -13.298 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 2.437 12.584 -12.728 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 2.687 11.454 -13.718 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 22.007 7.764 3.749 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 22.567 7.144 3.279 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 22.277 8.624 3.419 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 5.463 12.983 -20.228 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 5.153 12.083 -20.308 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 6.403 12.893 -20.078 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 6.577 -14.408 -9.854 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 7.367 -14.918 -9.664 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 6.517 -14.428 -10.814 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 -16.265 7.894 -8.121 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 -15.635 8.484 -7.711 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 -17.115 8.314 -7.991 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 -20.136 7.711 10.219 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 -19.736 6.841 10.209 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -20.126 7.991 9.309 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -8.210 -11.382 -6.431 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -8.480 -12.012 -5.771 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -7.410 -10.992 -6.081 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -17.056 6.423 14.328 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -17.576 6.133 15.078 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -17.006 5.643 13.758 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 -1.554 -21.889 9.572 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 -1.074 -21.249 10.092 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 -1.604 -22.669 10.142 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 2.156 -24.014 7.585 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 2.166 -24.384 6.705 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 1.996 -23.084 7.455 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 -19.277 -18.983 -12.941 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 -20.117 -19.053 -12.481 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 -19.197 -18.043 -13.141 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -12.800 -16.571 -14.058 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -13.290 -16.161 -13.348 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -12.670 -15.871 -14.698 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -22.144 -21.905 -4.057 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -22.984 -21.705 -4.467 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -21.604 -21.135 -4.227 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 20.580 -20.717 22.925 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 20.280 -21.557 22.585 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 21.520 -20.827 23.045 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 23.649 -4.268 13.907 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 23.009 -4.838 13.477 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 23.149 -3.468 14.107 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 -0.454 -18.244 14.290 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 -0.824 -19.084 14.000 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 -0.254 -17.784 13.470 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 20.688 20.719 22.255 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 21.228 20.869 23.035 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 21.018 19.889 21.895 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -10.071 -24.207 -12.276 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -10.121 -24.607 -13.146 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -9.831 -23.297 -12.446 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 19.304 10.280 5.567 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 19.254 9.380 5.887 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 18.404 10.490 5.327 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -22.177 15.298 -4.755 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -21.397 15.628 -4.315 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -21.857 14.598 -5.325 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -22.023 -22.259 7.892 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -21.563 -22.869 7.312 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -22.943 -22.329 7.632 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -22.132 17.981 18.482 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -22.942 18.281 18.912 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -21.622 17.591 19.192 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 15.526 11.040 -11.641 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 16.456 11.030 -11.871 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 15.336 10.130 -11.421 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 -12.843 -5.340 25.249 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 -12.673 -5.770 24.419 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 -11.973 -5.160 25.619 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 1.446 3.105 14.226 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 1.686 3.315 15.136 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 0.616 3.545 14.086 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 -12.515 16.864 8.414 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 -12.805 17.504 9.074 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 -11.585 17.054 8.304 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 5.251 16.092 -11.338 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 4.581 16.212 -10.668 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 6.031 16.512 -10.968 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -11.351 -14.657 -21.214 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -11.581 -13.977 -20.584 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -10.971 -15.357 -20.684 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 8.720 22.470 17.329 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 8.110 21.740 17.229 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 8.230 23.240 17.069 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 7.703 -22.154 -9.141 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 8.413 -21.614 -8.801 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 8.143 -22.884 -9.581 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 -18.244 9.003 0.198 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 -18.064 8.643 1.058 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 -17.794 8.413 -0.412 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -3.275 7.114 -10.811 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -2.985 7.984 -11.061 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -2.535 6.544 -11.011 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 7.791 -21.488 -5.431 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 8.741 -21.368 -5.441 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 7.441 -20.688 -5.821 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 8.620 -13.833 13.419 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 8.340 -14.183 12.579 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 7.920 -13.223 13.669 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 -9.410 -14.783 -10.614 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 -9.750 -15.013 -9.754 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 -8.500 -14.523 -10.454 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 -21.104 -24.975 -0.317 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -21.534 -24.445 -0.987 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 -20.534 -24.365 0.143 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 24.933 12.696 -6.654 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 24.873 13.236 -5.874 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 24.623 13.256 -7.364 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 5.259 -6.029 -11.488 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 6.199 -6.189 -11.558 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 4.879 -6.879 -11.268 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 10.331 7.440 -5.044 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 10.441 6.720 -4.424 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 9.591 7.940 -4.714 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 10.400 -4.584 -19.418 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 9.560 -4.584 -19.878 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 10.170 -4.714 -18.498 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 1.134 -20.160 -1.415 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 1.914 -19.690 -1.125 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 0.414 -19.750 -0.935 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 7.643 19.925 5.399 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 6.703 20.125 5.309 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 7.713 19.505 6.259 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -7.084 13.082 -4.944 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -6.304 12.882 -4.434 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -6.754 13.502 -5.744 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 -21.315 15.835 -8.300 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 -20.425 16.165 -8.230 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 -21.545 15.565 -7.410 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -3.884 4.192 8.435 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -4.524 3.682 8.925 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -3.064 3.702 8.535 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 4.223 -1.527 -24.711 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.553 -1.127 -25.261 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.313 -0.937 -23.961 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 22.596 -10.834 -1.217 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 23.516 -10.584 -1.117 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 22.116 -10.014 -1.117 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 2.886 -5.233 -14.580 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 3.606 -5.363 -13.960 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 3.086 -4.403 -15.010 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.795 -3.468 -21.398 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 11.605 -4.328 -21.778 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.565 -3.568 -20.478 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 14.248 -14.831 -23.156 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 14.728 -15.601 -22.856 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 14.658 -14.601 -23.986 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 21.204 -2.889 14.729 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 20.544 -3.579 14.779 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 21.474 -2.749 15.639 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -13.722 -2.077 -1.593 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -14.062 -1.337 -2.083 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -14.512 -2.527 -1.273 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 14.579 3.391 -0.908 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 15.379 3.231 -0.418 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 14.729 4.231 -1.338 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 4.597 6.652 -11.918 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 3.667 6.842 -11.808 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 4.627 5.712 -12.108 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 15.947 21.612 -1.144 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 16.807 21.332 -0.814 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 15.767 22.432 -0.684 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 18.099 15.795 23.101 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 17.179 15.555 23.151 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 18.099 16.745 22.991 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 2.985 19.265 -15.474 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 3.865 18.985 -15.734 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 2.735 19.905 -16.134 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 -16.431 -8.307 4.109 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 -16.171 -8.517 4.999 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 -16.081 -9.017 3.579 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 4.123 -4.732 -22.518 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 4.303 -4.012 -21.918 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 4.583 -4.502 -23.318 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 14.569 -20.447 17.652 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 14.239 -20.457 18.552 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 14.829 -19.537 17.512 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 -16.633 1.553 -10.814 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 -16.693 1.413 -11.754 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 -17.263 0.943 -10.444 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 2.519 6.672 -15.054 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 2.669 5.762 -14.794 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 3.369 6.972 -15.374 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 -5.061 10.835 4.284 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 -4.801 9.915 4.374 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 -6.011 10.815 4.274 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 -24.081 -19.368 16.355 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 -23.891 -19.638 15.465 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 -24.371 -18.458 16.275 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 11.787 13.726 21.027 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 12.207 14.046 20.227 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 12.247 14.186 21.737 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 16.344 -24.956 2.792 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 17.284 -25.096 2.852 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 15.964 -25.686 3.282 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 11.469 -14.672 -10.838 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 11.769 -15.442 -10.358 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 12.199 -14.062 -10.798 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 5.961 -11.259 -8.461 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 5.311 -11.669 -9.031 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 6.351 -11.989 -7.981 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 6.470 -20.462 16.433 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 5.880 -19.722 16.283 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 6.020 -20.992 17.083 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 8.846 -1.855 17.802 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 9.666 -2.235 17.482 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 9.116 -1.235 18.472 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 11.365 19.691 13.003 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 12.085 19.391 13.563 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 11.065 18.891 12.563 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 9.885 -21.122 -11.253 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 10.325 -21.952 -11.463 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 9.005 -21.222 -11.633 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 -12.434 4.138 2.816 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 -13.214 4.228 3.356 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 -11.704 4.248 3.416 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 13.587 -24.066 4.625 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 12.687 -24.376 4.695 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.087 -24.846 4.385 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.649 -11.221 -19.016 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 14.139 -11.041 -19.826 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 13.389 -10.361 -18.696 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 0.186 -19.856 10.079 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 -0.144 -19.126 9.569 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 0.616 -19.436 10.829 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 -22.933 13.313 -17.238 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 -22.633 14.143 -17.598 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 -22.123 12.823 -17.058 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 -21.819 22.299 24.868 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 -22.599 21.859 25.198 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 -21.319 21.609 24.418 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 24.606 -21.562 -1.951 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 25.046 -21.392 -1.121 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 23.756 -21.912 -1.701 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -22.392 -20.992 -11.841 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -22.922 -20.782 -12.611 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -22.602 -21.912 -11.641 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 20.531 -10.486 6.145 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 21.361 -10.926 5.945 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 20.041 -10.506 5.325 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 1.260 6.708 -17.502 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 1.480 6.578 -16.582 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 0.320 6.558 -17.552 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 1.339 -1.568 17.650 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 0.989 -1.628 18.540 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 2.199 -1.988 17.710 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 8.213 11.977 -25.460 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 7.283 11.797 -25.350 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 8.383 12.707 -24.860 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -5.907 -12.035 -23.081 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -6.657 -12.435 -23.521 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -6.017 -11.095 -23.221 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 -9.184 21.658 -12.365 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 -8.674 21.478 -13.155 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 -9.984 21.158 -12.485 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 0.396 -3.179 -13.981 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 0.346 -2.889 -14.891 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 1.276 -2.959 -13.701 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 9.991 -7.952 19.618 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 9.271 -7.452 19.208 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 10.421 -8.392 18.888 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -21.387 4.824 9.362 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -21.307 4.464 10.242 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -21.897 5.634 9.472 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.063 -2.266 -4.011 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 2.853 -1.986 -3.121 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 3.623 -3.036 -3.891 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -21.257 21.231 19.430 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -20.517 21.301 20.030 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -20.887 21.411 18.570 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 -1.412 6.511 2.231 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 -0.592 6.951 2.011 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 -1.902 6.481 1.411 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 23.040 -4.865 8.735 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 23.860 -5.175 9.115 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 22.470 -5.635 8.745 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -22.776 19.902 -12.797 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -23.666 20.262 -12.847 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -22.876 18.972 -13.007 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -18.479 -13.502 21.893 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -17.909 -13.292 22.643 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -18.729 -12.652 21.533 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 14.498 19.371 -16.380 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 13.818 20.031 -16.490 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 14.888 19.281 -17.250 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 -4.130 -1.506 -1.062 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 -4.280 -2.446 -0.942 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 -4.680 -1.276 -1.812 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 21.670 15.904 23.695 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 21.410 15.664 22.805 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 21.590 15.094 24.195 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 24.530 12.863 -15.168 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 25.170 12.333 -15.638 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 25.030 13.293 -14.478 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 -2.139 -13.876 -11.894 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 -2.899 -13.436 -11.514 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 -2.239 -13.746 -12.834 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 13.096 15.127 -6.783 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 13.856 15.667 -6.963 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 13.386 14.517 -6.103 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 24.431 -6.217 11.382 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 24.951 -6.967 11.082 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 23.571 -6.577 11.562 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 19.736 3.048 15.688 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 19.206 2.248 15.588 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 19.116 3.758 15.548 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 17.701 -19.835 16.020 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 16.821 -19.495 15.840 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 17.571 -20.765 16.170 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 3.443 -17.926 22.615 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 2.923 -18.306 23.325 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 2.833 -17.866 21.875 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 19.571 11.950 -5.230 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 19.671 11.350 -4.500 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 20.311 11.750 -5.810 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 11.456 -11.061 23.159 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 10.616 -11.521 23.219 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 11.346 -10.461 22.419 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 1.709 -22.373 2.877 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 2.449 -22.493 2.277 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 0.939 -22.563 2.347 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 3.586 -13.348 4.276 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 3.566 -12.838 5.086 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 2.666 -13.538 4.086 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 15.858 22.682 1.513 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 15.688 21.892 2.023 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 16.818 22.732 1.453 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 19.576 20.438 -17.314 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 20.296 20.428 -17.944 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 19.646 21.288 -16.884 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 -19.733 -15.092 -6.700 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 -19.413 -15.962 -6.950 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 -19.943 -15.182 -5.770 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -14.120 4.211 -18.616 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -14.610 4.321 -17.806 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -14.250 3.301 -18.866 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 17.560 11.455 -7.053 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 18.150 10.725 -6.843 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 17.590 12.015 -6.273 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -20.441 5.085 18.767 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -20.641 5.415 19.647 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -21.121 5.465 18.207 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -3.280 -4.607 17.844 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -4.180 -4.907 17.724 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.210 -4.407 18.774 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 13.638 22.514 21.527 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 13.668 23.454 21.707 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 12.728 22.334 21.287 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 20.443 7.776 -10.418 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 20.823 7.826 -11.298 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 19.803 8.486 -10.388 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 10.121 -21.747 19.232 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 10.991 -22.087 19.462 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 10.011 -20.977 19.782 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 5.631 17.396 -16.120 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 5.301 16.856 -16.830 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 6.421 17.806 -16.470 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 -18.103 -21.475 -12.021 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 -18.423 -21.005 -12.781 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 -18.823 -21.455 -11.401 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 10.435 0.612 13.229 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 10.245 -0.068 13.869 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 11.085 0.222 12.649 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 -6.821 -22.860 8.551 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 -6.031 -22.810 9.081 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 -7.151 -21.960 8.531 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 17.944 -22.507 0.211 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 17.434 -21.817 -0.199 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 18.704 -22.627 -0.359 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 -13.457 -22.270 20.934 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 -12.607 -22.110 21.344 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 -13.287 -22.950 20.284 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 -13.035 -16.375 -19.408 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 -13.335 -15.935 -20.208 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 -12.265 -15.875 -19.138 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 -8.539 -11.460 4.592 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 -7.759 -11.980 4.422 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 -9.159 -11.730 3.902 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 -5.104 -7.009 21.592 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 -5.524 -6.329 22.112 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 -5.764 -7.709 21.532 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -17.143 20.579 -14.246 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -16.983 20.309 -13.346 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -16.293 20.869 -14.566 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 0.978 4.460 11.413 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 1.818 4.080 11.653 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 1.188 5.150 10.783 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 19.454 -14.029 25.335 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 20.004 -13.389 24.885 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 18.954 -14.449 24.645 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 16.090 24.447 -1.929 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 15.710 25.047 -2.569 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 15.560 24.567 -1.139 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 4.364 -1.359 -21.948 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 4.814 -2.009 -21.418 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 4.944 -0.599 -21.958 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 -23.476 -16.626 7.161 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 -22.816 -16.766 7.831 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 -23.136 -15.886 6.651 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 -4.015 8.704 -14.396 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 -3.245 9.254 -14.276 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 -3.655 7.844 -14.636 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 3.148 23.928 10.380 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 3.068 23.558 9.500 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 3.968 24.418 10.360 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 20.740 -18.635 8.768 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 20.560 -18.195 7.938 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 21.580 -18.255 9.058 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 7.343 -4.868 -18.104 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 6.673 -4.938 -17.424 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 8.053 -5.428 -17.784 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 20.658 -8.428 3.656 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 21.438 -8.208 3.156 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 20.328 -9.228 3.246 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -24.097 -19.570 -10.153 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -24.437 -18.810 -9.683 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.277 -19.780 -9.703 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -5.752 22.581 -17.662 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -5.212 23.011 -18.332 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -5.442 21.681 -17.642 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 -7.955 12.182 -21.331 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 -7.515 11.792 -20.571 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 -8.875 11.922 -21.241 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 10.217 20.770 -0.882 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 10.517 21.620 -1.202 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 10.087 20.910 0.058 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -14.641 15.002 12.746 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -13.881 15.272 13.266 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -14.651 15.602 11.996 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 21.784 5.645 -4.056 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 21.644 6.505 -3.676 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 22.564 5.305 -3.626 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 2.886 23.141 18.890 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 3.466 23.901 18.930 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 3.436 22.401 19.140 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 24.938 4.729 -24.077 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 24.968 4.489 -24.997 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 25.048 5.679 -24.057 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -23.773 20.599 25.045 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -24.033 20.379 24.145 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -24.343 20.059 25.595 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 12.300 -9.605 8.146 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 12.060 -9.285 7.266 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 11.620 -9.255 8.716 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 24.080 -19.102 19.243 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 24.710 -19.112 19.963 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 23.230 -19.242 19.673 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 5.237 20.075 22.035 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 4.817 20.435 21.255 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 4.567 19.535 22.445 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -10.943 15.536 -17.341 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -11.623 15.376 -18.001 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -11.143 14.936 -16.631 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 -19.794 -0.350 -12.248 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 -18.874 -0.260 -12.468 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 -19.924 -1.290 -12.148 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 7.395 12.589 -7.368 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 7.075 13.019 -8.158 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 8.035 11.949 -7.688 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 15.111 16.732 11.861 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 16.061 16.572 11.821 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 14.921 16.832 12.801 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -14.014 21.389 -22.755 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -14.094 21.209 -23.695 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -14.914 21.429 -22.445 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 24.639 3.965 -6.587 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 24.369 4.555 -7.287 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 25.229 4.495 -6.047 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 20.279 -8.797 8.506 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 20.069 -8.997 7.596 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 21.149 -9.187 8.636 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 23.891 -8.461 -9.111 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 23.971 -9.101 -8.411 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 24.431 -8.811 -9.821 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 19.331 -10.600 -4.759 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 19.611 -11.410 -5.189 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 18.701 -10.220 -5.369 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 25.511 9.334 7.123 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 24.881 9.924 7.553 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 24.991 8.874 6.473 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 0.751 -12.711 -8.179 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 0.271 -12.071 -8.699 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 0.341 -13.551 -8.389 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 24.150 4.204 -9.597 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 23.460 3.664 -9.207 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 24.880 3.604 -9.707 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 -11.936 12.312 -2.254 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 -12.786 12.292 -1.804 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 -11.916 13.162 -2.694 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -4.280 24.511 -15.663 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -3.590 23.971 -15.283 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -4.850 23.881 -16.123 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -20.774 -24.239 -5.931 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -21.624 -23.989 -5.551 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -20.674 -25.159 -5.691 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 7.244 -24.173 -5.929 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 7.854 -23.583 -6.359 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 6.394 -23.753 -6.019 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 7.487 -23.319 4.945 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 6.977 -22.809 4.325 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 6.877 -23.509 5.655 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 18.660 -15.574 20.125 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 19.020 -16.264 20.675 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 18.600 -14.814 20.705 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 21.149 11.768 15.989 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 21.749 12.508 15.929 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 20.329 12.088 15.619 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -17.643 -24.538 22.155 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -18.343 -25.178 22.305 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -16.873 -24.928 22.565 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 -13.182 -8.500 -6.878 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 -12.832 -8.760 -7.728 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 -14.122 -8.620 -6.958 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 -3.065 -20.046 11.691 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 -2.895 -20.376 12.581 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 -2.735 -19.146 11.701 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 0.020 -6.458 -0.786 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 -0.730 -6.618 -0.216 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 0.100 -7.258 -1.306 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 14.520 23.850 4.222 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 15.220 23.610 4.832 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 13.930 23.090 4.232 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.466 -7.565 12.635 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.176 -7.315 13.515 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.726 -8.485 12.715 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 15.644 -7.438 3.316 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 15.704 -8.088 4.016 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 16.524 -7.408 2.946 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -9.123 18.242 9.192 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -8.733 19.112 9.112 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -9.913 18.372 9.712 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -13.645 -14.867 6.291 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -13.505 -13.937 6.081 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -13.835 -14.877 7.231 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 19.874 -6.428 5.080 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 20.534 -5.858 4.690 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 19.954 -7.258 4.600 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 -21.576 0.119 12.050 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 -22.396 0.249 11.580 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 -21.246 -0.721 11.730 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 0.896 18.281 23.992 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 0.086 18.711 24.282 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 0.686 17.931 23.122 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 15.017 12.273 8.850 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 15.477 13.113 8.960 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 14.297 12.473 8.250 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 -9.406 11.533 17.880 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 -8.936 11.223 17.110 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 -8.726 11.663 18.540 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -21.894 -19.513 8.322 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -21.724 -20.323 7.852 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -22.814 -19.323 8.152 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 -5.093 -8.472 -23.241 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 -4.373 -8.402 -22.621 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 -4.863 -7.872 -23.951 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 9.647 0.451 23.545 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 8.827 0.751 23.155 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 9.967 -0.209 22.935 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 14.816 4.635 -3.448 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 13.956 4.955 -3.738 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 15.346 4.655 -4.238 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 4.696 19.155 5.850 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 4.686 18.695 6.690 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 3.826 19.555 5.780 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 15.003 17.689 23.775 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 15.423 17.969 22.955 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 14.493 18.449 24.045 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -23.897 -9.227 -16.804 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -23.957 -10.117 -16.454 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -24.577 -9.197 -17.474 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 4.134 -1.379 -0.591 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 3.864 -1.039 0.259 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 3.714 -0.789 -1.221 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 23.970 -18.641 -0.584 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 24.180 -18.551 -1.514 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 24.790 -18.901 -0.174 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 -17.743 18.110 -1.371 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 -17.473 17.490 -2.041 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 -18.183 18.810 -1.851 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 15.323 21.805 -8.828 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 15.323 22.545 -8.218 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 15.113 21.045 -8.288 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -3.455 -0.280 14.328 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -4.095 -0.810 13.848 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -3.975 0.420 14.728 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 -17.123 -7.243 21.705 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 -17.003 -7.623 20.835 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 -18.023 -6.903 21.685 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 -6.595 -10.208 -17.577 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 -7.005 -10.398 -16.737 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 -5.715 -10.578 -17.507 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -21.274 -0.622 17.681 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -20.514 -0.052 17.771 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -21.114 -1.122 16.871 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 -1.510 22.513 -9.871 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 -2.130 21.903 -9.471 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 -0.770 21.963 -10.121 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -10.226 -0.741 -17.499 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -10.876 -0.641 -18.189 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -9.596 -0.031 -17.649 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -13.240 3.989 -5.359 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -14.060 4.459 -5.169 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -12.640 4.669 -5.669 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 24.863 6.179 -1.537 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 25.183 5.619 -2.247 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 25.513 6.069 -0.837 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 -11.809 -0.634 -5.754 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 -11.469 -1.524 -5.754 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 -12.319 -0.564 -4.944 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -16.783 -10.102 -20.145 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -17.583 -10.222 -19.635 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -17.093 -9.832 -21.005 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -10.626 -7.505 13.141 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -11.576 -7.505 13.231 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -10.296 -7.765 14.001 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 3.267 1.608 6.849 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 2.537 2.158 6.569 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 3.147 1.508 7.789 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -6.790 -14.142 0.093 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -7.300 -13.412 0.453 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -6.690 -14.742 0.833 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.276 -1.859 -8.795 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.216 -1.899 -7.835 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 21.686 -2.539 -9.105 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 8.715 -24.919 8.361 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 8.945 -25.749 7.931 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 8.025 -24.549 7.811 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 -17.651 20.727 15.801 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 -17.551 21.077 14.911 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 -18.341 20.077 15.721 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.721 6.489 9.575 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.079 6.319 10.075 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.981 7.379 9.835 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 12.583 9.082 -17.221 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 12.373 8.382 -17.841 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 12.583 9.882 -17.751 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 7.109 7.649 -21.254 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 7.319 7.889 -20.354 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 7.869 7.139 -21.544 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -23.734 24.648 -4.162 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -24.334 24.168 -4.732 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -22.894 24.188 -4.242 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -10.325 2.174 -3.348 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -10.245 2.094 -4.298 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -9.715 1.524 -2.998 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 3.694 1.292 18.992 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 2.884 0.852 19.262 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 4.014 0.782 18.252 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -9.409 3.097 -17.122 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -9.149 3.907 -16.682 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -10.349 3.197 -17.272 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 -10.867 21.763 -22.355 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 -11.777 22.033 -22.265 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 -10.757 21.583 -23.285 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.270 0.563 -9.701 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.160 0.443 -10.641 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -22.210 0.693 -9.581 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 2.938 -1.611 -19.051 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 3.028 -1.201 -19.911 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 1.998 -1.761 -18.951 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.226 -1.960 16.047 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 17.256 -1.210 15.447 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 18.026 -1.880 16.567 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 -1.977 22.472 -23.618 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 -2.157 23.212 -23.038 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 -1.867 22.852 -24.488 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -19.314 10.880 13.167 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -20.074 10.320 13.277 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -18.714 10.620 13.867 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -20.714 19.334 7.273 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -19.904 19.844 7.323 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.124 19.624 6.463 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 -15.937 -23.772 18.353 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 -16.737 -23.572 17.873 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 -15.407 -22.972 18.283 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 9.238 -17.389 23.831 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 9.178 -17.419 24.781 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 9.418 -18.289 23.571 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -22.027 8.790 4.046 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -22.947 9.020 3.936 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -21.687 9.450 4.646 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 15.875 -8.158 17.319 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 16.265 -7.288 17.309 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 15.265 -8.148 18.059 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 -3.541 -6.131 -18.449 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 -3.111 -6.301 -17.609 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 -4.481 -6.141 -18.239 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 21.485 10.119 12.392 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 21.405 10.859 11.792 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 21.895 9.429 11.862 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -0.422 18.338 13.456 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -1.112 17.838 13.006 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -0.082 17.728 14.106 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 18.754 -21.820 -15.889 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 18.344 -21.140 -15.349 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 18.574 -22.630 -15.419 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -19.469 -22.510 -3.154 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -19.109 -22.820 -3.994 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.359 -22.230 -3.364 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 0.148 -19.347 23.347 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 0.708 -18.847 23.937 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -0.282 -19.987 23.907 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 17.609 7.417 3.709 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 16.739 7.347 4.109 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 17.549 8.157 3.109 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 17.167 -13.991 11.135 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 16.467 -14.641 11.045 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 16.837 -13.381 11.795 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 -6.464 0.711 -13.656 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 -6.464 1.201 -12.836 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 -6.784 1.341 -14.306 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 18.520 7.441 -6.878 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 19.020 8.201 -7.158 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 18.380 7.561 -5.938 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 14.304 -10.415 15.271 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 13.864 -10.265 16.111 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 14.664 -9.565 15.031 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 -3.556 17.109 21.932 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 -3.166 16.859 21.092 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 -2.846 17.029 22.562 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -12.394 -13.193 -14.336 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -12.954 -12.863 -15.036 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -11.504 -13.153 -14.696 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 -23.203 -19.089 19.789 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 -23.163 -18.139 19.889 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 -23.283 -19.419 20.689 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -14.669 -18.509 -12.371 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -14.529 -18.359 -13.301 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -15.099 -19.369 -12.331 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -16.453 5.791 -18.642 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -16.073 6.631 -18.912 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -15.723 5.311 -18.252 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 -2.807 16.735 7.611 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 -3.677 17.105 7.791 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 -2.217 17.485 7.681 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 -24.530 13.667 -19.384 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 -23.940 13.247 -20.014 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 -24.010 13.737 -18.584 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -9.701 9.480 -4.813 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -9.721 10.120 -5.523 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -9.911 8.640 -5.233 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 21.266 -6.843 -5.228 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 21.646 -7.673 -5.538 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 21.996 -6.373 -4.848 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -24.897 -4.451 18.666 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -25.677 -4.841 19.056 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.347 -4.221 19.416 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -18.357 21.695 -0.353 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -18.787 21.725 -1.213 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -17.457 21.975 -0.523 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 23.958 14.194 8.811 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 24.378 13.474 8.351 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 23.098 14.284 8.401 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 5.465 22.557 -14.198 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 5.345 22.177 -13.318 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 5.655 21.797 -14.748 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 -1.537 -22.860 15.629 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 -1.137 -23.530 16.189 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 -1.647 -23.290 14.789 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.387 19.876 15.445 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.937 19.346 14.865 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 13.987 20.216 16.095 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 10.956 3.198 15.783 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 10.066 3.218 16.143 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 10.946 2.468 15.163 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 -19.121 7.463 -22.349 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 -19.131 8.413 -22.379 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 -18.591 7.203 -23.109 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 0.383 10.035 -17.476 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 0.803 9.925 -16.626 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 -0.557 10.075 -17.286 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 -22.499 -7.314 -18.494 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 -22.869 -7.594 -19.324 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 -22.989 -7.794 -17.834 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 17.383 -18.620 -11.898 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 18.233 -18.850 -12.258 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 17.583 -18.120 -11.098 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 4.144 -20.799 3.432 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 5.024 -21.019 3.132 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 4.274 -20.379 4.272 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -7.785 -21.042 -16.008 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -8.375 -21.182 -16.738 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -7.675 -21.912 -15.618 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 24.775 -21.073 13.553 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 25.125 -21.963 13.493 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 25.535 -20.513 13.683 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 0.849 20.413 -18.110 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 -0.031 20.053 -18.000 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 0.969 20.483 -19.060 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -11.994 -7.516 6.825 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -12.064 -8.066 7.615 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -11.104 -7.156 6.875 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 -12.701 -7.962 22.590 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 -12.581 -8.822 23.000 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 -11.811 -7.652 22.430 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -18.683 5.445 16.526 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -19.353 5.015 15.996 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -19.093 6.255 16.836 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 -14.993 9.555 11.235 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 -14.793 9.405 12.165 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 -15.473 10.385 11.225 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -12.582 -13.777 22.123 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -12.332 -13.627 21.203 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -11.812 -14.207 22.513 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 -22.722 -12.151 -13.712 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 -23.392 -12.751 -14.022 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 -22.122 -12.061 -14.452 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -6.653 12.270 17.625 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -7.203 11.840 16.975 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -5.833 11.770 17.615 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 8.158 10.250 17.193 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 7.378 10.660 16.833 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 7.958 10.100 18.113 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 6.304 -19.027 -9.571 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 5.394 -19.167 -9.821 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 6.764 -19.797 -9.901 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 17.064 24.912 -21.101 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 17.964 25.002 -21.401 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 16.914 25.692 -20.561 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -0.407 22.593 1.292 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 0.173 23.353 1.262 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -0.827 22.583 0.432 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 0.386 24.137 -14.996 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 1.226 23.707 -15.176 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 0.566 24.707 -14.246 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 -6.665 10.342 -13.409 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 -5.965 9.712 -13.229 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 -7.015 10.562 -12.549 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 21.986 -22.869 14.595 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 21.296 -22.209 14.565 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 22.776 -22.399 14.325 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 25.273 -22.360 -11.930 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 25.293 -21.420 -12.070 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 24.653 -22.490 -11.210 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 19.041 10.150 -21.658 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 19.521 9.920 -20.868 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 18.441 10.840 -21.388 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 20.838 9.237 -3.895 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -23.495 -23.667 -18.264 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 11.536 -3.191 16.869 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 20.884 1.260 -2.048 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.743 -22.057 -24.460 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 -18.307 -11.782 12.097 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 -19.319 -25.060 -19.308 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -20.347 -19.248 -4.593 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 22.489 -18.017 -12.898 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -5.954 17.727 17.988 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 15.134 10.360 0.475 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.668 -14.449 -20.881 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 -15.335 17.229 -9.520 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 20.101 2.700 -4.255 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -22.731 -23.935 23.584 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 14.783 -21.218 -19.490 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 -17.410 -23.239 -13.181 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/input/e1s1_ntl9_1ns_0/structure.psf b/adaptivemd/input/e1s1_ntl9_1ns_0/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/input/e1s1_ntl9_1ns_0/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 772 WT0 146 TIP3 H2 HT 0.417000 1.0080 0 + 773 WT0 149 TIP3 OH2 OT -0.834000 15.9994 0 + 774 WT0 149 TIP3 H1 HT 0.417000 1.0080 0 + 775 WT0 149 TIP3 H2 HT 0.417000 1.0080 0 + 776 WT0 150 TIP3 OH2 OT -0.834000 15.9994 0 + 777 WT0 150 TIP3 H1 HT 0.417000 1.0080 0 + 778 WT0 150 TIP3 H2 HT 0.417000 1.0080 0 + 779 WT0 152 TIP3 OH2 OT -0.834000 15.9994 0 + 780 WT0 152 TIP3 H1 HT 0.417000 1.0080 0 + 781 WT0 152 TIP3 H2 HT 0.417000 1.0080 0 + 782 WT0 153 TIP3 OH2 OT -0.834000 15.9994 0 + 783 WT0 153 TIP3 H1 HT 0.417000 1.0080 0 + 784 WT0 153 TIP3 H2 HT 0.417000 1.0080 0 + 785 WT0 155 TIP3 OH2 OT -0.834000 15.9994 0 + 786 WT0 155 TIP3 H1 HT 0.417000 1.0080 0 + 787 WT0 155 TIP3 H2 HT 0.417000 1.0080 0 + 788 WT0 156 TIP3 OH2 OT -0.834000 15.9994 0 + 789 WT0 156 TIP3 H1 HT 0.417000 1.0080 0 + 790 WT0 156 TIP3 H2 HT 0.417000 1.0080 0 + 791 WT0 160 TIP3 OH2 OT -0.834000 15.9994 0 + 792 WT0 160 TIP3 H1 HT 0.417000 1.0080 0 + 793 WT0 160 TIP3 H2 HT 0.417000 1.0080 0 + 794 WT0 162 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817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 + 818 WT0 190 TIP3 OH2 OT -0.834000 15.9994 0 + 819 WT0 190 TIP3 H1 HT 0.417000 1.0080 0 + 820 WT0 190 TIP3 H2 HT 0.417000 1.0080 0 + 821 WT0 191 TIP3 OH2 OT -0.834000 15.9994 0 + 822 WT0 191 TIP3 H1 HT 0.417000 1.0080 0 + 823 WT0 191 TIP3 H2 HT 0.417000 1.0080 0 + 824 WT0 195 TIP3 OH2 OT -0.834000 15.9994 0 + 825 WT0 195 TIP3 H1 HT 0.417000 1.0080 0 + 826 WT0 195 TIP3 H2 HT 0.417000 1.0080 0 + 827 WT0 196 TIP3 OH2 OT -0.834000 15.9994 0 + 828 WT0 196 TIP3 H1 HT 0.417000 1.0080 0 + 829 WT0 196 TIP3 H2 HT 0.417000 1.0080 0 + 830 WT0 198 TIP3 OH2 OT -0.834000 15.9994 0 + 831 WT0 198 TIP3 H1 HT 0.417000 1.0080 0 + 832 WT0 198 TIP3 H2 HT 0.417000 1.0080 0 + 833 WT0 201 TIP3 OH2 OT -0.834000 15.9994 0 + 834 WT0 201 TIP3 H1 HT 0.417000 1.0080 0 + 835 WT0 201 TIP3 H2 HT 0.417000 1.0080 0 + 836 WT0 202 TIP3 OH2 OT -0.834000 15.9994 0 + 837 WT0 202 TIP3 H1 HT 0.417000 1.0080 0 + 838 WT0 202 TIP3 H2 HT 0.417000 1.0080 0 + 839 WT0 205 TIP3 OH2 OT -0.834000 15.9994 0 + 840 WT0 205 TIP3 H1 HT 0.417000 1.0080 0 + 841 WT0 205 TIP3 H2 HT 0.417000 1.0080 0 + 842 WT0 206 TIP3 OH2 OT -0.834000 15.9994 0 + 843 WT0 206 TIP3 H1 HT 0.417000 1.0080 0 + 844 WT0 206 TIP3 H2 HT 0.417000 1.0080 0 + 845 WT0 212 TIP3 OH2 OT -0.834000 15.9994 0 + 846 WT0 212 TIP3 H1 HT 0.417000 1.0080 0 + 847 WT0 212 TIP3 H2 HT 0.417000 1.0080 0 + 848 WT0 222 TIP3 OH2 OT -0.834000 15.9994 0 + 849 WT0 222 TIP3 H1 HT 0.417000 1.0080 0 + 850 WT0 222 TIP3 H2 HT 0.417000 1.0080 0 + 851 WT0 225 TIP3 OH2 OT -0.834000 15.9994 0 + 852 WT0 225 TIP3 H1 HT 0.417000 1.0080 0 + 853 WT0 225 TIP3 H2 HT 0.417000 1.0080 0 + 854 WT0 231 TIP3 OH2 OT -0.834000 15.9994 0 + 855 WT0 231 TIP3 H1 HT 0.417000 1.0080 0 + 856 WT0 231 TIP3 H2 HT 0.417000 1.0080 0 + 857 WT0 235 TIP3 OH2 OT -0.834000 15.9994 0 + 858 WT0 235 TIP3 H1 HT 0.417000 1.0080 0 + 859 WT0 235 TIP3 H2 HT 0.417000 1.0080 0 + 860 WT0 237 TIP3 OH2 OT -0.834000 15.9994 0 + 861 WT0 237 TIP3 H1 HT 0.417000 1.0080 0 + 862 WT0 237 TIP3 H2 HT 0.417000 1.0080 0 + 863 WT0 238 TIP3 OH2 OT -0.834000 15.9994 0 + 864 WT0 238 TIP3 H1 HT 0.417000 1.0080 0 + 865 WT0 238 TIP3 H2 HT 0.417000 1.0080 0 + 866 WT0 239 TIP3 OH2 OT -0.834000 15.9994 0 + 867 WT0 239 TIP3 H1 HT 0.417000 1.0080 0 + 868 WT0 239 TIP3 H2 HT 0.417000 1.0080 0 + 869 WT0 252 TIP3 OH2 OT -0.834000 15.9994 0 + 870 WT0 252 TIP3 H1 HT 0.417000 1.0080 0 + 871 WT0 252 TIP3 H2 HT 0.417000 1.0080 0 + 872 WT0 253 TIP3 OH2 OT -0.834000 15.9994 0 + 873 WT0 253 TIP3 H1 HT 0.417000 1.0080 0 + 874 WT0 253 TIP3 H2 HT 0.417000 1.0080 0 + 875 WT0 255 TIP3 OH2 OT -0.834000 15.9994 0 + 876 WT0 255 TIP3 H1 HT 0.417000 1.0080 0 + 877 WT0 255 TIP3 H2 HT 0.417000 1.0080 0 + 878 WT0 257 TIP3 OH2 OT -0.834000 15.9994 0 + 879 WT0 257 TIP3 H1 HT 0.417000 1.0080 0 + 880 WT0 257 TIP3 H2 HT 0.417000 1.0080 0 + 881 WT0 258 TIP3 OH2 OT -0.834000 15.9994 0 + 882 WT0 258 TIP3 H1 HT 0.417000 1.0080 0 + 883 WT0 258 TIP3 H2 HT 0.417000 1.0080 0 + 884 WT0 259 TIP3 OH2 OT -0.834000 15.9994 0 + 885 WT0 259 TIP3 H1 HT 0.417000 1.0080 0 + 886 WT0 259 TIP3 H2 HT 0.417000 1.0080 0 + 887 WT0 261 TIP3 OH2 OT -0.834000 15.9994 0 + 888 WT0 261 TIP3 H1 HT 0.417000 1.0080 0 + 889 WT0 261 TIP3 H2 HT 0.417000 1.0080 0 + 890 WT0 262 TIP3 OH2 OT -0.834000 15.9994 0 + 891 WT0 262 TIP3 H1 HT 0.417000 1.0080 0 + 892 WT0 262 TIP3 H2 HT 0.417000 1.0080 0 + 893 WT0 267 TIP3 OH2 OT -0.834000 15.9994 0 + 894 WT0 267 TIP3 H1 HT 0.417000 1.0080 0 + 895 WT0 267 TIP3 H2 HT 0.417000 1.0080 0 + 896 WT0 281 TIP3 OH2 OT -0.834000 15.9994 0 + 897 WT0 281 TIP3 H1 HT 0.417000 1.0080 0 + 898 WT0 281 TIP3 H2 HT 0.417000 1.0080 0 + 899 WT0 282 TIP3 OH2 OT -0.834000 15.9994 0 + 900 WT0 282 TIP3 H1 HT 0.417000 1.0080 0 + 901 WT0 282 TIP3 H2 HT 0.417000 1.0080 0 + 902 WT0 284 TIP3 OH2 OT -0.834000 15.9994 0 + 903 WT0 284 TIP3 H1 HT 0.417000 1.0080 0 + 904 WT0 284 TIP3 H2 HT 0.417000 1.0080 0 + 905 WT0 285 TIP3 OH2 OT -0.834000 15.9994 0 + 906 WT0 285 TIP3 H1 HT 0.417000 1.0080 0 + 907 WT0 285 TIP3 H2 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 931 WT0 328 TIP3 H2 HT 0.417000 1.0080 0 + 932 WT0 332 TIP3 OH2 OT -0.834000 15.9994 0 + 933 WT0 332 TIP3 H1 HT 0.417000 1.0080 0 + 934 WT0 332 TIP3 H2 HT 0.417000 1.0080 0 + 935 WT0 338 TIP3 OH2 OT -0.834000 15.9994 0 + 936 WT0 338 TIP3 H1 HT 0.417000 1.0080 0 + 937 WT0 338 TIP3 H2 HT 0.417000 1.0080 0 + 938 WT0 344 TIP3 OH2 OT -0.834000 15.9994 0 + 939 WT0 344 TIP3 H1 HT 0.417000 1.0080 0 + 940 WT0 344 TIP3 H2 HT 0.417000 1.0080 0 + 941 WT0 361 TIP3 OH2 OT -0.834000 15.9994 0 + 942 WT0 361 TIP3 H1 HT 0.417000 1.0080 0 + 943 WT0 361 TIP3 H2 HT 0.417000 1.0080 0 + 944 WT0 365 TIP3 OH2 OT -0.834000 15.9994 0 + 945 WT0 365 TIP3 H1 HT 0.417000 1.0080 0 + 946 WT0 365 TIP3 H2 HT 0.417000 1.0080 0 + 947 WT0 367 TIP3 OH2 OT -0.834000 15.9994 0 + 948 WT0 367 TIP3 H1 HT 0.417000 1.0080 0 + 949 WT0 367 TIP3 H2 HT 0.417000 1.0080 0 + 950 WT0 368 TIP3 OH2 OT -0.834000 15.9994 0 + 951 WT0 368 TIP3 H1 HT 0.417000 1.0080 0 + 952 WT0 368 TIP3 H2 HT 0.417000 1.0080 0 + 953 WT0 369 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976 WT0 438 TIP3 H2 HT 0.417000 1.0080 0 + 977 WT0 442 TIP3 OH2 OT -0.834000 15.9994 0 + 978 WT0 442 TIP3 H1 HT 0.417000 1.0080 0 + 979 WT0 442 TIP3 H2 HT 0.417000 1.0080 0 + 980 WT0 443 TIP3 OH2 OT -0.834000 15.9994 0 + 981 WT0 443 TIP3 H1 HT 0.417000 1.0080 0 + 982 WT0 443 TIP3 H2 HT 0.417000 1.0080 0 + 983 WT0 446 TIP3 OH2 OT -0.834000 15.9994 0 + 984 WT0 446 TIP3 H1 HT 0.417000 1.0080 0 + 985 WT0 446 TIP3 H2 HT 0.417000 1.0080 0 + 986 WT0 450 TIP3 OH2 OT -0.834000 15.9994 0 + 987 WT0 450 TIP3 H1 HT 0.417000 1.0080 0 + 988 WT0 450 TIP3 H2 HT 0.417000 1.0080 0 + 989 WT0 452 TIP3 OH2 OT -0.834000 15.9994 0 + 990 WT0 452 TIP3 H1 HT 0.417000 1.0080 0 + 991 WT0 452 TIP3 H2 HT 0.417000 1.0080 0 + 992 WT0 457 TIP3 OH2 OT -0.834000 15.9994 0 + 993 WT0 457 TIP3 H1 HT 0.417000 1.0080 0 + 994 WT0 457 TIP3 H2 HT 0.417000 1.0080 0 + 995 WT0 465 TIP3 OH2 OT -0.834000 15.9994 0 + 996 WT0 465 TIP3 H1 HT 0.417000 1.0080 0 + 997 WT0 465 TIP3 H2 HT 0.417000 1.0080 0 + 998 WT0 466 TIP3 OH2 OT -0.834000 15.9994 0 + 999 WT0 466 TIP3 H1 HT 0.417000 1.0080 0 + 1000 WT0 466 TIP3 H2 HT 0.417000 1.0080 0 + 1001 WT0 469 TIP3 OH2 OT -0.834000 15.9994 0 + 1002 WT0 469 TIP3 H1 HT 0.417000 1.0080 0 + 1003 WT0 469 TIP3 H2 HT 0.417000 1.0080 0 + 1004 WT0 479 TIP3 OH2 OT -0.834000 15.9994 0 + 1005 WT0 479 TIP3 H1 HT 0.417000 1.0080 0 + 1006 WT0 479 TIP3 H2 HT 0.417000 1.0080 0 + 1007 WT0 484 TIP3 OH2 OT -0.834000 15.9994 0 + 1008 WT0 484 TIP3 H1 HT 0.417000 1.0080 0 + 1009 WT0 484 TIP3 H2 HT 0.417000 1.0080 0 + 1010 WT0 485 TIP3 OH2 OT -0.834000 15.9994 0 + 1011 WT0 485 TIP3 H1 HT 0.417000 1.0080 0 + 1012 WT0 485 TIP3 H2 HT 0.417000 1.0080 0 + 1013 WT0 486 TIP3 OH2 OT -0.834000 15.9994 0 + 1014 WT0 486 TIP3 H1 HT 0.417000 1.0080 0 + 1015 WT0 486 TIP3 H2 HT 0.417000 1.0080 0 + 1016 WT0 489 TIP3 OH2 OT -0.834000 15.9994 0 + 1017 WT0 489 TIP3 H1 HT 0.417000 1.0080 0 + 1018 WT0 489 TIP3 H2 HT 0.417000 1.0080 0 + 1019 WT0 490 TIP3 OH2 OT -0.834000 15.9994 0 + 1020 WT0 490 TIP3 H1 HT 0.417000 1.0080 0 + 1021 WT0 490 TIP3 H2 HT 0.417000 1.0080 0 + 1022 WT0 491 TIP3 OH2 OT -0.834000 15.9994 0 + 1023 WT0 491 TIP3 H1 HT 0.417000 1.0080 0 + 1024 WT0 491 TIP3 H2 HT 0.417000 1.0080 0 + 1025 WT0 493 TIP3 OH2 OT -0.834000 15.9994 0 + 1026 WT0 493 TIP3 H1 HT 0.417000 1.0080 0 + 1027 WT0 493 TIP3 H2 HT 0.417000 1.0080 0 + 1028 WT0 494 TIP3 OH2 OT -0.834000 15.9994 0 + 1029 WT0 494 TIP3 H1 HT 0.417000 1.0080 0 + 1030 WT0 494 TIP3 H2 HT 0.417000 1.0080 0 + 1031 WT0 495 TIP3 OH2 OT -0.834000 15.9994 0 + 1032 WT0 495 TIP3 H1 HT 0.417000 1.0080 0 + 1033 WT0 495 TIP3 H2 HT 0.417000 1.0080 0 + 1034 WT0 498 TIP3 OH2 OT -0.834000 15.9994 0 + 1035 WT0 498 TIP3 H1 HT 0.417000 1.0080 0 + 1036 WT0 498 TIP3 H2 HT 0.417000 1.0080 0 + 1037 WT0 500 TIP3 OH2 OT -0.834000 15.9994 0 + 1038 WT0 500 TIP3 H1 HT 0.417000 1.0080 0 + 1039 WT0 500 TIP3 H2 HT 0.417000 1.0080 0 + 1040 WT0 503 TIP3 OH2 OT -0.834000 15.9994 0 + 1041 WT0 503 TIP3 H1 HT 0.417000 1.0080 0 + 1042 WT0 503 TIP3 H2 HT 0.417000 1.0080 0 + 1043 WT0 506 TIP3 OH2 OT -0.834000 15.9994 0 + 1044 WT0 506 TIP3 H1 HT 0.417000 1.0080 0 + 1045 WT0 506 TIP3 H2 HT 0.417000 1.0080 0 + 1046 WT0 507 TIP3 OH2 OT -0.834000 15.9994 0 + 1047 WT0 507 TIP3 H1 HT 0.417000 1.0080 0 + 1048 WT0 507 TIP3 H2 HT 0.417000 1.0080 0 + 1049 WT0 508 TIP3 OH2 OT -0.834000 15.9994 0 + 1050 WT0 508 TIP3 H1 HT 0.417000 1.0080 0 + 1051 WT0 508 TIP3 H2 HT 0.417000 1.0080 0 + 1052 WT0 509 TIP3 OH2 OT -0.834000 15.9994 0 + 1053 WT0 509 TIP3 H1 HT 0.417000 1.0080 0 + 1054 WT0 509 TIP3 H2 HT 0.417000 1.0080 0 + 1055 WT0 511 TIP3 OH2 OT -0.834000 15.9994 0 + 1056 WT0 511 TIP3 H1 HT 0.417000 1.0080 0 + 1057 WT0 511 TIP3 H2 HT 0.417000 1.0080 0 + 1058 WT0 512 TIP3 OH2 OT -0.834000 15.9994 0 + 1059 WT0 512 TIP3 H1 HT 0.417000 1.0080 0 + 1060 WT0 512 TIP3 H2 HT 0.417000 1.0080 0 + 1061 WT0 514 TIP3 OH2 OT -0.834000 15.9994 0 + 1062 WT0 514 TIP3 H1 HT 0.417000 1.0080 0 + 1063 WT0 514 TIP3 H2 HT 0.417000 1.0080 0 + 1064 WT0 515 TIP3 OH2 OT -0.834000 15.9994 0 + 1065 WT0 515 TIP3 H1 HT 0.417000 1.0080 0 + 1066 WT0 515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 + 1155 WT0 587 TIP3 H1 HT 0.417000 1.0080 0 + 1156 WT0 587 TIP3 H2 HT 0.417000 1.0080 0 + 1157 WT0 588 TIP3 OH2 OT -0.834000 15.9994 0 + 1158 WT0 588 TIP3 H1 HT 0.417000 1.0080 0 + 1159 WT0 588 TIP3 H2 HT 0.417000 1.0080 0 + 1160 WT0 591 TIP3 OH2 OT -0.834000 15.9994 0 + 1161 WT0 591 TIP3 H1 HT 0.417000 1.0080 0 + 1162 WT0 591 TIP3 H2 HT 0.417000 1.0080 0 + 1163 WT0 593 TIP3 OH2 OT -0.834000 15.9994 0 + 1164 WT0 593 TIP3 H1 HT 0.417000 1.0080 0 + 1165 WT0 593 TIP3 H2 HT 0.417000 1.0080 0 + 1166 WT0 594 TIP3 OH2 OT -0.834000 15.9994 0 + 1167 WT0 594 TIP3 H1 HT 0.417000 1.0080 0 + 1168 WT0 594 TIP3 H2 HT 0.417000 1.0080 0 + 1169 WT0 595 TIP3 OH2 OT -0.834000 15.9994 0 + 1170 WT0 595 TIP3 H1 HT 0.417000 1.0080 0 + 1171 WT0 595 TIP3 H2 HT 0.417000 1.0080 0 + 1172 WT0 598 TIP3 OH2 OT -0.834000 15.9994 0 + 1173 WT0 598 TIP3 H1 HT 0.417000 1.0080 0 + 1174 WT0 598 TIP3 H2 HT 0.417000 1.0080 0 + 1175 WT0 599 TIP3 OH2 OT -0.834000 15.9994 0 + 1176 WT0 599 TIP3 H1 HT 0.417000 1.0080 0 + 1177 WT0 599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 + 1266 WT0 676 TIP3 H1 HT 0.417000 1.0080 0 + 1267 WT0 676 TIP3 H2 HT 0.417000 1.0080 0 + 1268 WT0 677 TIP3 OH2 OT -0.834000 15.9994 0 + 1269 WT0 677 TIP3 H1 HT 0.417000 1.0080 0 + 1270 WT0 677 TIP3 H2 HT 0.417000 1.0080 0 + 1271 WT0 679 TIP3 OH2 OT -0.834000 15.9994 0 + 1272 WT0 679 TIP3 H1 HT 0.417000 1.0080 0 + 1273 WT0 679 TIP3 H2 HT 0.417000 1.0080 0 + 1274 WT0 680 TIP3 OH2 OT -0.834000 15.9994 0 + 1275 WT0 680 TIP3 H1 HT 0.417000 1.0080 0 + 1276 WT0 680 TIP3 H2 HT 0.417000 1.0080 0 + 1277 WT0 682 TIP3 OH2 OT -0.834000 15.9994 0 + 1278 WT0 682 TIP3 H1 HT 0.417000 1.0080 0 + 1279 WT0 682 TIP3 H2 HT 0.417000 1.0080 0 + 1280 WT0 684 TIP3 OH2 OT -0.834000 15.9994 0 + 1281 WT0 684 TIP3 H1 HT 0.417000 1.0080 0 + 1282 WT0 684 TIP3 H2 HT 0.417000 1.0080 0 + 1283 WT0 686 TIP3 OH2 OT -0.834000 15.9994 0 + 1284 WT0 686 TIP3 H1 HT 0.417000 1.0080 0 + 1285 WT0 686 TIP3 H2 HT 0.417000 1.0080 0 + 1286 WT0 687 TIP3 OH2 OT -0.834000 15.9994 0 + 1287 WT0 687 TIP3 H1 HT 0.417000 1.0080 0 + 1288 WT0 687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 0.417000 1.0080 0 + 1366 WT0 749 TIP3 H2 HT 0.417000 1.0080 0 + 1367 WT0 759 TIP3 OH2 OT -0.834000 15.9994 0 + 1368 WT0 759 TIP3 H1 HT 0.417000 1.0080 0 + 1369 WT0 759 TIP3 H2 HT 0.417000 1.0080 0 + 1370 WT0 761 TIP3 OH2 OT -0.834000 15.9994 0 + 1371 WT0 761 TIP3 H1 HT 0.417000 1.0080 0 + 1372 WT0 761 TIP3 H2 HT 0.417000 1.0080 0 + 1373 WT0 765 TIP3 OH2 OT -0.834000 15.9994 0 + 1374 WT0 765 TIP3 H1 HT 0.417000 1.0080 0 + 1375 WT0 765 TIP3 H2 HT 0.417000 1.0080 0 + 1376 WT0 778 TIP3 OH2 OT -0.834000 15.9994 0 + 1377 WT0 778 TIP3 H1 HT 0.417000 1.0080 0 + 1378 WT0 778 TIP3 H2 HT 0.417000 1.0080 0 + 1379 WT0 785 TIP3 OH2 OT -0.834000 15.9994 0 + 1380 WT0 785 TIP3 H1 HT 0.417000 1.0080 0 + 1381 WT0 785 TIP3 H2 HT 0.417000 1.0080 0 + 1382 WT0 787 TIP3 OH2 OT -0.834000 15.9994 0 + 1383 WT0 787 TIP3 H1 HT 0.417000 1.0080 0 + 1384 WT0 787 TIP3 H2 HT 0.417000 1.0080 0 + 1385 WT0 788 TIP3 OH2 OT -0.834000 15.9994 0 + 1386 WT0 788 TIP3 H1 HT 0.417000 1.0080 0 + 1387 WT0 788 TIP3 H2 HT 0.417000 1.0080 0 + 1388 WT0 793 TIP3 OH2 OT -0.834000 15.9994 0 + 1389 WT0 793 TIP3 H1 HT 0.417000 1.0080 0 + 1390 WT0 793 TIP3 H2 HT 0.417000 1.0080 0 + 1391 WT0 796 TIP3 OH2 OT -0.834000 15.9994 0 + 1392 WT0 796 TIP3 H1 HT 0.417000 1.0080 0 + 1393 WT0 796 TIP3 H2 HT 0.417000 1.0080 0 + 1394 WT0 806 TIP3 OH2 OT -0.834000 15.9994 0 + 1395 WT0 806 TIP3 H1 HT 0.417000 1.0080 0 + 1396 WT0 806 TIP3 H2 HT 0.417000 1.0080 0 + 1397 WT0 809 TIP3 OH2 OT -0.834000 15.9994 0 + 1398 WT0 809 TIP3 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15.9994 0 + 1443 WT0 891 TIP3 H1 HT 0.417000 1.0080 0 + 1444 WT0 891 TIP3 H2 HT 0.417000 1.0080 0 + 1445 WT0 894 TIP3 OH2 OT -0.834000 15.9994 0 + 1446 WT0 894 TIP3 H1 HT 0.417000 1.0080 0 + 1447 WT0 894 TIP3 H2 HT 0.417000 1.0080 0 + 1448 WT0 895 TIP3 OH2 OT -0.834000 15.9994 0 + 1449 WT0 895 TIP3 H1 HT 0.417000 1.0080 0 + 1450 WT0 895 TIP3 H2 HT 0.417000 1.0080 0 + 1451 WT0 897 TIP3 OH2 OT -0.834000 15.9994 0 + 1452 WT0 897 TIP3 H1 HT 0.417000 1.0080 0 + 1453 WT0 897 TIP3 H2 HT 0.417000 1.0080 0 + 1454 WT0 899 TIP3 OH2 OT -0.834000 15.9994 0 + 1455 WT0 899 TIP3 H1 HT 0.417000 1.0080 0 + 1456 WT0 899 TIP3 H2 HT 0.417000 1.0080 0 + 1457 WT0 906 TIP3 OH2 OT -0.834000 15.9994 0 + 1458 WT0 906 TIP3 H1 HT 0.417000 1.0080 0 + 1459 WT0 906 TIP3 H2 HT 0.417000 1.0080 0 + 1460 WT0 907 TIP3 OH2 OT -0.834000 15.9994 0 + 1461 WT0 907 TIP3 H1 HT 0.417000 1.0080 0 + 1462 WT0 907 TIP3 H2 HT 0.417000 1.0080 0 + 1463 WT0 908 TIP3 OH2 OT -0.834000 15.9994 0 + 1464 WT0 908 TIP3 H1 HT 0.417000 1.0080 0 + 1465 WT0 908 TIP3 H2 HT 0.417000 1.0080 0 + 1466 WT0 911 TIP3 OH2 OT -0.834000 15.9994 0 + 1467 WT0 911 TIP3 H1 HT 0.417000 1.0080 0 + 1468 WT0 911 TIP3 H2 HT 0.417000 1.0080 0 + 1469 WT0 912 TIP3 OH2 OT -0.834000 15.9994 0 + 1470 WT0 912 TIP3 H1 HT 0.417000 1.0080 0 + 1471 WT0 912 TIP3 H2 HT 0.417000 1.0080 0 + 1472 WT0 916 TIP3 OH2 OT -0.834000 15.9994 0 + 1473 WT0 916 TIP3 H1 HT 0.417000 1.0080 0 + 1474 WT0 916 TIP3 H2 HT 0.417000 1.0080 0 + 1475 WT0 917 TIP3 OH2 OT -0.834000 15.9994 0 + 1476 WT0 917 TIP3 H1 HT 0.417000 1.0080 0 + 1477 WT0 917 TIP3 H2 HT 0.417000 1.0080 0 + 1478 WT0 924 TIP3 OH2 OT -0.834000 15.9994 0 + 1479 WT0 924 TIP3 H1 HT 0.417000 1.0080 0 + 1480 WT0 924 TIP3 H2 HT 0.417000 1.0080 0 + 1481 WT0 927 TIP3 OH2 OT -0.834000 15.9994 0 + 1482 WT0 927 TIP3 H1 HT 0.417000 1.0080 0 + 1483 WT0 927 TIP3 H2 HT 0.417000 1.0080 0 + 1484 WT0 928 TIP3 OH2 OT -0.834000 15.9994 0 + 1485 WT0 928 TIP3 H1 HT 0.417000 1.0080 0 + 1486 WT0 928 TIP3 H2 HT 0.417000 1.0080 0 + 1487 WT0 929 TIP3 OH2 OT -0.834000 15.9994 0 + 1488 WT0 929 TIP3 H1 HT 0.417000 1.0080 0 + 1489 WT0 929 TIP3 H2 HT 0.417000 1.0080 0 + 1490 WT0 930 TIP3 OH2 OT -0.834000 15.9994 0 + 1491 WT0 930 TIP3 H1 HT 0.417000 1.0080 0 + 1492 WT0 930 TIP3 H2 HT 0.417000 1.0080 0 + 1493 WT0 932 TIP3 OH2 OT -0.834000 15.9994 0 + 1494 WT0 932 TIP3 H1 HT 0.417000 1.0080 0 + 1495 WT0 932 TIP3 H2 HT 0.417000 1.0080 0 + 1496 WT0 933 TIP3 OH2 OT -0.834000 15.9994 0 + 1497 WT0 933 TIP3 H1 HT 0.417000 1.0080 0 + 1498 WT0 933 TIP3 H2 HT 0.417000 1.0080 0 + 1499 WT0 936 TIP3 OH2 OT -0.834000 15.9994 0 + 1500 WT0 936 TIP3 H1 HT 0.417000 1.0080 0 + 1501 WT0 936 TIP3 H2 HT 0.417000 1.0080 0 + 1502 WT0 940 TIP3 OH2 OT -0.834000 15.9994 0 + 1503 WT0 940 TIP3 H1 HT 0.417000 1.0080 0 + 1504 WT0 940 TIP3 H2 HT 0.417000 1.0080 0 + 1505 WT0 941 TIP3 OH2 OT -0.834000 15.9994 0 + 1506 WT0 941 TIP3 H1 HT 0.417000 1.0080 0 + 1507 WT0 941 TIP3 H2 HT 0.417000 1.0080 0 + 1508 WT0 942 TIP3 OH2 OT -0.834000 15.9994 0 + 1509 WT0 942 TIP3 H1 HT 0.417000 1.0080 0 + 1510 WT0 942 TIP3 H2 HT 0.417000 1.0080 0 + 1511 WT0 947 TIP3 OH2 OT -0.834000 15.9994 0 + 1512 WT0 947 TIP3 H1 HT 0.417000 1.0080 0 + 1513 WT0 947 TIP3 H2 HT 0.417000 1.0080 0 + 1514 WT0 948 TIP3 OH2 OT -0.834000 15.9994 0 + 1515 WT0 948 TIP3 H1 HT 0.417000 1.0080 0 + 1516 WT0 948 TIP3 H2 HT 0.417000 1.0080 0 + 1517 WT0 949 TIP3 OH2 OT -0.834000 15.9994 0 + 1518 WT0 949 TIP3 H1 HT 0.417000 1.0080 0 + 1519 WT0 949 TIP3 H2 HT 0.417000 1.0080 0 + 1520 WT0 950 TIP3 OH2 OT -0.834000 15.9994 0 + 1521 WT0 950 TIP3 H1 HT 0.417000 1.0080 0 + 1522 WT0 950 TIP3 H2 HT 0.417000 1.0080 0 + 1523 WT0 951 TIP3 OH2 OT -0.834000 15.9994 0 + 1524 WT0 951 TIP3 H1 HT 0.417000 1.0080 0 + 1525 WT0 951 TIP3 H2 HT 0.417000 1.0080 0 + 1526 WT0 952 TIP3 OH2 OT -0.834000 15.9994 0 + 1527 WT0 952 TIP3 H1 HT 0.417000 1.0080 0 + 1528 WT0 952 TIP3 H2 HT 0.417000 1.0080 0 + 1529 WT0 953 TIP3 OH2 OT -0.834000 15.9994 0 + 1530 WT0 953 TIP3 H1 HT 0.417000 1.0080 0 + 1531 WT0 953 TIP3 H2 HT 0.417000 1.0080 0 + 1532 WT0 954 TIP3 OH2 OT -0.834000 15.9994 0 + 1533 WT0 954 TIP3 H1 HT 0.417000 1.0080 0 + 1534 WT0 954 TIP3 H2 HT 0.417000 1.0080 0 + 1535 WT0 958 TIP3 OH2 OT -0.834000 15.9994 0 + 1536 WT0 958 TIP3 H1 HT 0.417000 1.0080 0 + 1537 WT0 958 TIP3 H2 HT 0.417000 1.0080 0 + 1538 WT0 961 TIP3 OH2 OT -0.834000 15.9994 0 + 1539 WT0 961 TIP3 H1 HT 0.417000 1.0080 0 + 1540 WT0 961 TIP3 H2 HT 0.417000 1.0080 0 + 1541 WT0 962 TIP3 OH2 OT -0.834000 15.9994 0 + 1542 WT0 962 TIP3 H1 HT 0.417000 1.0080 0 + 1543 WT0 962 TIP3 H2 HT 0.417000 1.0080 0 + 1544 WT0 964 TIP3 OH2 OT -0.834000 15.9994 0 + 1545 WT0 964 TIP3 H1 HT 0.417000 1.0080 0 + 1546 WT0 964 TIP3 H2 HT 0.417000 1.0080 0 + 1547 WT0 970 TIP3 OH2 OT -0.834000 15.9994 0 + 1548 WT0 970 TIP3 H1 HT 0.417000 1.0080 0 + 1549 WT0 970 TIP3 H2 HT 0.417000 1.0080 0 + 1550 WT0 972 TIP3 OH2 OT -0.834000 15.9994 0 + 1551 WT0 972 TIP3 H1 HT 0.417000 1.0080 0 + 1552 WT0 972 TIP3 H2 HT 0.417000 1.0080 0 + 1553 WT0 974 TIP3 OH2 OT -0.834000 15.9994 0 + 1554 WT0 974 TIP3 H1 HT 0.417000 1.0080 0 + 1555 WT0 974 TIP3 H2 HT 0.417000 1.0080 0 + 1556 WT0 975 TIP3 OH2 OT -0.834000 15.9994 0 + 1557 WT0 975 TIP3 H1 HT 0.417000 1.0080 0 + 1558 WT0 975 TIP3 H2 HT 0.417000 1.0080 0 + 1559 WT0 977 TIP3 OH2 OT -0.834000 15.9994 0 + 1560 WT0 977 TIP3 H1 HT 0.417000 1.0080 0 + 1561 WT0 977 TIP3 H2 HT 0.417000 1.0080 0 + 1562 WT0 978 TIP3 OH2 OT -0.834000 15.9994 0 + 1563 WT0 978 TIP3 H1 HT 0.417000 1.0080 0 + 1564 WT0 978 TIP3 H2 HT 0.417000 1.0080 0 + 1565 WT0 982 TIP3 OH2 OT -0.834000 15.9994 0 + 1566 WT0 982 TIP3 H1 HT 0.417000 1.0080 0 + 1567 WT0 982 TIP3 H2 HT 0.417000 1.0080 0 + 1568 WT0 983 TIP3 OH2 OT -0.834000 15.9994 0 + 1569 WT0 983 TIP3 H1 HT 0.417000 1.0080 0 + 1570 WT0 983 TIP3 H2 HT 0.417000 1.0080 0 + 1571 WT0 985 TIP3 OH2 OT -0.834000 15.9994 0 + 1572 WT0 985 TIP3 H1 HT 0.417000 1.0080 0 + 1573 WT0 985 TIP3 H2 HT 0.417000 1.0080 0 + 1574 WT0 988 TIP3 OH2 OT -0.834000 15.9994 0 + 1575 WT0 988 TIP3 H1 HT 0.417000 1.0080 0 + 1576 WT0 988 TIP3 H2 HT 0.417000 1.0080 0 + 1577 WT0 989 TIP3 OH2 OT -0.834000 15.9994 0 + 1578 WT0 989 TIP3 H1 HT 0.417000 1.0080 0 + 1579 WT0 989 TIP3 H2 HT 0.417000 1.0080 0 + 1580 WT0 990 TIP3 OH2 OT -0.834000 15.9994 0 + 1581 WT0 990 TIP3 H1 HT 0.417000 1.0080 0 + 1582 WT0 990 TIP3 H2 HT 0.417000 1.0080 0 + 1583 WT0 991 TIP3 OH2 OT -0.834000 15.9994 0 + 1584 WT0 991 TIP3 H1 HT 0.417000 1.0080 0 + 1585 WT0 991 TIP3 H2 HT 0.417000 1.0080 0 + 1586 WT0 992 TIP3 OH2 OT -0.834000 15.9994 0 + 1587 WT0 992 TIP3 H1 HT 0.417000 1.0080 0 + 1588 WT0 992 TIP3 H2 HT 0.417000 1.0080 0 + 1589 WT0 994 TIP3 OH2 OT -0.834000 15.9994 0 + 1590 WT0 994 TIP3 H1 HT 0.417000 1.0080 0 + 1591 WT0 994 TIP3 H2 HT 0.417000 1.0080 0 + 1592 WT0 995 TIP3 OH2 OT -0.834000 15.9994 0 + 1593 WT0 995 TIP3 H1 HT 0.417000 1.0080 0 + 1594 WT0 995 TIP3 H2 HT 0.417000 1.0080 0 + 1595 WT0 996 TIP3 OH2 OT -0.834000 15.9994 0 + 1596 WT0 996 TIP3 H1 HT 0.417000 1.0080 0 + 1597 WT0 996 TIP3 H2 HT 0.417000 1.0080 0 + 1598 WT0 1004 TIP3 OH2 OT -0.834000 15.9994 0 + 1599 WT0 1004 TIP3 H1 HT 0.417000 1.0080 0 + 1600 WT0 1004 TIP3 H2 HT 0.417000 1.0080 0 + 1601 WT0 1007 TIP3 OH2 OT -0.834000 15.9994 0 + 1602 WT0 1007 TIP3 H1 HT 0.417000 1.0080 0 + 1603 WT0 1007 TIP3 H2 HT 0.417000 1.0080 0 + 1604 WT0 1011 TIP3 OH2 OT -0.834000 15.9994 0 + 1605 WT0 1011 TIP3 H1 HT 0.417000 1.0080 0 + 1606 WT0 1011 TIP3 H2 HT 0.417000 1.0080 0 + 1607 WT0 1012 TIP3 OH2 OT -0.834000 15.9994 0 + 1608 WT0 1012 TIP3 H1 HT 0.417000 1.0080 0 + 1609 WT0 1012 TIP3 H2 HT 0.417000 1.0080 0 + 1610 WT0 1013 TIP3 OH2 OT -0.834000 15.9994 0 + 1611 WT0 1013 TIP3 H1 HT 0.417000 1.0080 0 + 1612 WT0 1013 TIP3 H2 HT 0.417000 1.0080 0 + 1613 WT0 1014 TIP3 OH2 OT -0.834000 15.9994 0 + 1614 WT0 1014 TIP3 H1 HT 0.417000 1.0080 0 + 1615 WT0 1014 TIP3 H2 HT 0.417000 1.0080 0 + 1616 WT0 1017 TIP3 OH2 OT -0.834000 15.9994 0 + 1617 WT0 1017 TIP3 H1 HT 0.417000 1.0080 0 + 1618 WT0 1017 TIP3 H2 HT 0.417000 1.0080 0 + 1619 WT0 1018 TIP3 OH2 OT -0.834000 15.9994 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TIP3 H2 HT 0.417000 1.0080 0 + 1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 + 1670 WT0 1058 TIP3 OH2 OT -0.834000 15.9994 0 + 1671 WT0 1058 TIP3 H1 HT 0.417000 1.0080 0 + 1672 WT0 1058 TIP3 H2 HT 0.417000 1.0080 0 + 1673 WT0 1059 TIP3 OH2 OT -0.834000 15.9994 0 + 1674 WT0 1059 TIP3 H1 HT 0.417000 1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 + 1678 WT0 1060 TIP3 H2 HT 0.417000 1.0080 0 + 1679 WT0 1061 TIP3 OH2 OT -0.834000 15.9994 0 + 1680 WT0 1061 TIP3 H1 HT 0.417000 1.0080 0 + 1681 WT0 1061 TIP3 H2 HT 0.417000 1.0080 0 + 1682 WT0 1062 TIP3 OH2 OT -0.834000 15.9994 0 + 1683 WT0 1062 TIP3 H1 HT 0.417000 1.0080 0 + 1684 WT0 1062 TIP3 H2 HT 0.417000 1.0080 0 + 1685 WT0 1063 TIP3 OH2 OT -0.834000 15.9994 0 + 1686 WT0 1063 TIP3 H1 HT 0.417000 1.0080 0 + 1687 WT0 1063 TIP3 H2 HT 0.417000 1.0080 0 + 1688 WT0 1064 TIP3 OH2 OT -0.834000 15.9994 0 + 1689 WT0 1064 TIP3 H1 HT 0.417000 1.0080 0 + 1690 WT0 1064 TIP3 H2 HT 0.417000 1.0080 0 + 1691 WT0 1065 TIP3 OH2 OT -0.834000 15.9994 0 + 1692 WT0 1065 TIP3 H1 HT 0.417000 1.0080 0 + 1693 WT0 1065 TIP3 H2 HT 0.417000 1.0080 0 + 1694 WT0 1066 TIP3 OH2 OT -0.834000 15.9994 0 + 1695 WT0 1066 TIP3 H1 HT 0.417000 1.0080 0 + 1696 WT0 1066 TIP3 H2 HT 0.417000 1.0080 0 + 1697 WT0 1069 TIP3 OH2 OT -0.834000 15.9994 0 + 1698 WT0 1069 TIP3 H1 HT 0.417000 1.0080 0 + 1699 WT0 1069 TIP3 H2 HT 0.417000 1.0080 0 + 1700 WT0 1076 TIP3 OH2 OT -0.834000 15.9994 0 + 1701 WT0 1076 TIP3 H1 HT 0.417000 1.0080 0 + 1702 WT0 1076 TIP3 H2 HT 0.417000 1.0080 0 + 1703 WT0 1077 TIP3 OH2 OT -0.834000 15.9994 0 + 1704 WT0 1077 TIP3 H1 HT 0.417000 1.0080 0 + 1705 WT0 1077 TIP3 H2 HT 0.417000 1.0080 0 + 1706 WT0 1078 TIP3 OH2 OT -0.834000 15.9994 0 + 1707 WT0 1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 + 2299 WT0 1518 TIP3 H2 HT 0.417000 1.0080 0 + 2300 WT0 1519 TIP3 OH2 OT -0.834000 15.9994 0 + 2301 WT0 1519 TIP3 H1 HT 0.417000 1.0080 0 + 2302 WT0 1519 TIP3 H2 HT 0.417000 1.0080 0 + 2303 WT0 1520 TIP3 OH2 OT -0.834000 15.9994 0 + 2304 WT0 1520 TIP3 H1 HT 0.417000 1.0080 0 + 2305 WT0 1520 TIP3 H2 HT 0.417000 1.0080 0 + 2306 WT0 1522 TIP3 OH2 OT -0.834000 15.9994 0 + 2307 WT0 1522 TIP3 H1 HT 0.417000 1.0080 0 + 2308 WT0 1522 TIP3 H2 HT 0.417000 1.0080 0 + 2309 WT0 1524 TIP3 OH2 OT -0.834000 15.9994 0 + 2310 WT0 1524 TIP3 H1 HT 0.417000 1.0080 0 + 2311 WT0 1524 TIP3 H2 HT 0.417000 1.0080 0 + 2312 WT0 1526 TIP3 OH2 OT -0.834000 15.9994 0 + 2313 WT0 1526 TIP3 H1 HT 0.417000 1.0080 0 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TIP3 OH2 OT -0.834000 15.9994 0 + 2640 WT0 1790 TIP3 H1 HT 0.417000 1.0080 0 + 2641 WT0 1790 TIP3 H2 HT 0.417000 1.0080 0 + 2642 WT0 1794 TIP3 OH2 OT -0.834000 15.9994 0 + 2643 WT0 1794 TIP3 H1 HT 0.417000 1.0080 0 + 2644 WT0 1794 TIP3 H2 HT 0.417000 1.0080 0 + 2645 WT0 1795 TIP3 OH2 OT -0.834000 15.9994 0 + 2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 0 + 3291 WT0 2151 TIP3 H1 HT 0.417000 1.0080 0 + 3292 WT0 2151 TIP3 H2 HT 0.417000 1.0080 0 + 3293 WT0 2155 TIP3 OH2 OT -0.834000 15.9994 0 + 3294 WT0 2155 TIP3 H1 HT 0.417000 1.0080 0 + 3295 WT0 2155 TIP3 H2 HT 0.417000 1.0080 0 + 3296 WT0 2159 TIP3 OH2 OT -0.834000 15.9994 0 + 3297 WT0 2159 TIP3 H1 HT 0.417000 1.0080 0 + 3298 WT0 2159 TIP3 H2 HT 0.417000 1.0080 0 + 3299 WT0 2163 TIP3 OH2 OT -0.834000 15.9994 0 + 3300 WT0 2163 TIP3 H1 HT 0.417000 1.0080 0 + 3301 WT0 2163 TIP3 H2 HT 0.417000 1.0080 0 + 3302 WT0 2165 TIP3 OH2 OT -0.834000 15.9994 0 + 3303 WT0 2165 TIP3 H1 HT 0.417000 1.0080 0 + 3304 WT0 2165 TIP3 H2 HT 0.417000 1.0080 0 + 3305 WT0 2167 TIP3 OH2 OT -0.834000 15.9994 0 + 3306 WT0 2167 TIP3 H1 HT 0.417000 1.0080 0 + 3307 WT0 2167 TIP3 H2 HT 0.417000 1.0080 0 + 3308 WT0 2168 TIP3 OH2 OT -0.834000 15.9994 0 + 3309 WT0 2168 TIP3 H1 HT 0.417000 1.0080 0 + 3310 WT0 2168 TIP3 H2 HT 0.417000 1.0080 0 + 3311 WT0 2172 TIP3 OH2 OT -0.834000 15.9994 0 + 3312 WT0 2172 TIP3 H1 HT 0.417000 1.0080 0 + 3313 WT0 2172 TIP3 H2 HT 0.417000 1.0080 0 + 3314 WT0 2180 TIP3 OH2 OT -0.834000 15.9994 0 + 3315 WT0 2180 TIP3 H1 HT 0.417000 1.0080 0 + 3316 WT0 2180 TIP3 H2 HT 0.417000 1.0080 0 + 3317 WT0 2185 TIP3 OH2 OT -0.834000 15.9994 0 + 3318 WT0 2185 TIP3 H1 HT 0.417000 1.0080 0 + 3319 WT0 2185 TIP3 H2 HT 0.417000 1.0080 0 + 3320 WT0 2186 TIP3 OH2 OT -0.834000 15.9994 0 + 3321 WT0 2186 TIP3 H1 HT 0.417000 1.0080 0 + 3322 WT0 2186 TIP3 H2 HT 0.417000 1.0080 0 + 3323 WT0 2187 TIP3 OH2 OT -0.834000 15.9994 0 + 3324 WT0 2187 TIP3 H1 HT 0.417000 1.0080 0 + 3325 WT0 2187 TIP3 H2 HT 0.417000 1.0080 0 + 3326 WT0 2194 TIP3 OH2 OT -0.834000 15.9994 0 + 3327 WT0 2194 TIP3 H1 HT 0.417000 1.0080 0 + 3328 WT0 2194 TIP3 H2 HT 0.417000 1.0080 0 + 3329 WT0 2195 TIP3 OH2 OT -0.834000 15.9994 0 + 3330 WT0 2195 TIP3 H1 HT 0.417000 1.0080 0 + 3331 WT0 2195 TIP3 H2 HT 0.417000 1.0080 0 + 3332 WT0 2197 TIP3 OH2 OT -0.834000 15.9994 0 + 3333 WT0 2197 TIP3 H1 HT 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TIP3 H2 HT 0.417000 1.0080 0 + 3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT -0.834000 15.9994 0 + 3666 WT0 2403 TIP3 H1 HT 0.417000 1.0080 0 + 3667 WT0 2403 TIP3 H2 HT 0.417000 1.0080 0 + 3668 WT0 2404 TIP3 OH2 OT -0.834000 15.9994 0 + 3669 WT0 2404 TIP3 H1 HT 0.417000 1.0080 0 + 3670 WT0 2404 TIP3 H2 HT 0.417000 1.0080 0 + 3671 WT0 2405 TIP3 OH2 OT -0.834000 15.9994 0 + 3672 WT0 2405 TIP3 H1 HT 0.417000 1.0080 0 + 3673 WT0 2405 TIP3 H2 HT 0.417000 1.0080 0 + 3674 WT0 2406 TIP3 OH2 OT -0.834000 15.9994 0 + 3675 WT0 2406 TIP3 H1 HT 0.417000 1.0080 0 + 3676 WT0 2406 TIP3 H2 HT 0.417000 1.0080 0 + 3677 WT0 2407 TIP3 OH2 OT -0.834000 15.9994 0 + 3678 WT0 2407 TIP3 H1 HT 0.417000 1.0080 0 + 3679 WT0 2407 TIP3 H2 HT 0.417000 1.0080 0 + 3680 WT0 2408 TIP3 OH2 OT 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2421 TIP3 H1 HT 0.417000 1.0080 0 + 3703 WT0 2421 TIP3 H2 HT 0.417000 1.0080 0 + 3704 WT0 2422 TIP3 OH2 OT -0.834000 15.9994 0 + 3705 WT0 2422 TIP3 H1 HT 0.417000 1.0080 0 + 3706 WT0 2422 TIP3 H2 HT 0.417000 1.0080 0 + 3707 WT0 2423 TIP3 OH2 OT -0.834000 15.9994 0 + 3708 WT0 2423 TIP3 H1 HT 0.417000 1.0080 0 + 3709 WT0 2423 TIP3 H2 HT 0.417000 1.0080 0 + 3710 WT0 2424 TIP3 OH2 OT -0.834000 15.9994 0 + 3711 WT0 2424 TIP3 H1 HT 0.417000 1.0080 0 + 3712 WT0 2424 TIP3 H2 HT 0.417000 1.0080 0 + 3713 WT0 2425 TIP3 OH2 OT -0.834000 15.9994 0 + 3714 WT0 2425 TIP3 H1 HT 0.417000 1.0080 0 + 3715 WT0 2425 TIP3 H2 HT 0.417000 1.0080 0 + 3716 WT0 2427 TIP3 OH2 OT -0.834000 15.9994 0 + 3717 WT0 2427 TIP3 H1 HT 0.417000 1.0080 0 + 3718 WT0 2427 TIP3 H2 HT 0.417000 1.0080 0 + 3719 WT0 2428 TIP3 OH2 OT -0.834000 15.9994 0 + 3720 WT0 2428 TIP3 H1 HT 0.417000 1.0080 0 + 3721 WT0 2428 TIP3 H2 HT 0.417000 1.0080 0 + 3722 WT0 2429 TIP3 OH2 OT -0.834000 15.9994 0 + 3723 WT0 2429 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT -0.834000 15.9994 0 + 3948 WT0 2610 TIP3 H1 HT 0.417000 1.0080 0 + 3949 WT0 2610 TIP3 H2 HT 0.417000 1.0080 0 + 3950 WT0 2613 TIP3 OH2 OT -0.834000 15.9994 0 + 3951 WT0 2613 TIP3 H1 HT 0.417000 1.0080 0 + 3952 WT0 2613 TIP3 H2 HT 0.417000 1.0080 0 + 3953 WT0 2616 TIP3 OH2 OT -0.834000 15.9994 0 + 3954 WT0 2616 TIP3 H1 HT 0.417000 1.0080 0 + 3955 WT0 2616 TIP3 H2 HT 0.417000 1.0080 0 + 3956 WT0 2617 TIP3 OH2 OT -0.834000 15.9994 0 + 3957 WT0 2617 TIP3 H1 HT 0.417000 1.0080 0 + 3958 WT0 2617 TIP3 H2 HT 0.417000 1.0080 0 + 3959 WT0 2618 TIP3 OH2 OT -0.834000 15.9994 0 + 3960 WT0 2618 TIP3 H1 HT 0.417000 1.0080 0 + 3961 WT0 2618 TIP3 H2 HT 0.417000 1.0080 0 + 3962 WT0 2628 TIP3 OH2 OT 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2650 TIP3 H1 HT 0.417000 1.0080 0 + 3985 WT0 2650 TIP3 H2 HT 0.417000 1.0080 0 + 3986 WT0 2654 TIP3 OH2 OT -0.834000 15.9994 0 + 3987 WT0 2654 TIP3 H1 HT 0.417000 1.0080 0 + 3988 WT0 2654 TIP3 H2 HT 0.417000 1.0080 0 + 3989 WT0 2656 TIP3 OH2 OT -0.834000 15.9994 0 + 3990 WT0 2656 TIP3 H1 HT 0.417000 1.0080 0 + 3991 WT0 2656 TIP3 H2 HT 0.417000 1.0080 0 + 3992 WT0 2657 TIP3 OH2 OT -0.834000 15.9994 0 + 3993 WT0 2657 TIP3 H1 HT 0.417000 1.0080 0 + 3994 WT0 2657 TIP3 H2 HT 0.417000 1.0080 0 + 3995 WT0 2659 TIP3 OH2 OT -0.834000 15.9994 0 + 3996 WT0 2659 TIP3 H1 HT 0.417000 1.0080 0 + 3997 WT0 2659 TIP3 H2 HT 0.417000 1.0080 0 + 3998 WT0 2662 TIP3 OH2 OT -0.834000 15.9994 0 + 3999 WT0 2662 TIP3 H1 HT 0.417000 1.0080 0 + 4000 WT0 2662 TIP3 H2 HT 0.417000 1.0080 0 + 4001 WT0 2667 TIP3 OH2 OT -0.834000 15.9994 0 + 4002 WT0 2667 TIP3 H1 HT 0.417000 1.0080 0 + 4003 WT0 2667 TIP3 H2 HT 0.417000 1.0080 0 + 4004 WT0 2669 TIP3 OH2 OT -0.834000 15.9994 0 + 4005 WT0 2669 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT -0.834000 15.9994 0 + 4224 WT0 2798 TIP3 H1 HT 0.417000 1.0080 0 + 4225 WT0 2798 TIP3 H2 HT 0.417000 1.0080 0 + 4226 WT0 2801 TIP3 OH2 OT -0.834000 15.9994 0 + 4227 WT0 2801 TIP3 H1 HT 0.417000 1.0080 0 + 4228 WT0 2801 TIP3 H2 HT 0.417000 1.0080 0 + 4229 WT0 2802 TIP3 OH2 OT -0.834000 15.9994 0 + 4230 WT0 2802 TIP3 H1 HT 0.417000 1.0080 0 + 4231 WT0 2802 TIP3 H2 HT 0.417000 1.0080 0 + 4232 WT0 2803 TIP3 OH2 OT -0.834000 15.9994 0 + 4233 WT0 2803 TIP3 H1 HT 0.417000 1.0080 0 + 4234 WT0 2803 TIP3 H2 HT 0.417000 1.0080 0 + 4235 WT0 2805 TIP3 OH2 OT -0.834000 15.9994 0 + 4236 WT0 2805 TIP3 H1 HT 0.417000 1.0080 0 + 4237 WT0 2805 TIP3 H2 HT 0.417000 1.0080 0 + 4238 WT0 2806 TIP3 OH2 OT -0.834000 15.9994 0 + 4239 WT0 2806 TIP3 H1 HT 0.417000 1.0080 0 + 4240 WT0 2806 TIP3 H2 HT 0.417000 1.0080 0 + 4241 WT0 2807 TIP3 OH2 OT -0.834000 15.9994 0 + 4242 WT0 2807 TIP3 H1 HT 0.417000 1.0080 0 + 4243 WT0 2807 TIP3 H2 HT 0.417000 1.0080 0 + 4244 WT0 2808 TIP3 OH2 OT 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2824 TIP3 H1 HT 0.417000 1.0080 0 + 4267 WT0 2824 TIP3 H2 HT 0.417000 1.0080 0 + 4268 WT0 2826 TIP3 OH2 OT -0.834000 15.9994 0 + 4269 WT0 2826 TIP3 H1 HT 0.417000 1.0080 0 + 4270 WT0 2826 TIP3 H2 HT 0.417000 1.0080 0 + 4271 WT0 2829 TIP3 OH2 OT -0.834000 15.9994 0 + 4272 WT0 2829 TIP3 H1 HT 0.417000 1.0080 0 + 4273 WT0 2829 TIP3 H2 HT 0.417000 1.0080 0 + 4274 WT0 2830 TIP3 OH2 OT -0.834000 15.9994 0 + 4275 WT0 2830 TIP3 H1 HT 0.417000 1.0080 0 + 4276 WT0 2830 TIP3 H2 HT 0.417000 1.0080 0 + 4277 WT0 2831 TIP3 OH2 OT -0.834000 15.9994 0 + 4278 WT0 2831 TIP3 H1 HT 0.417000 1.0080 0 + 4279 WT0 2831 TIP3 H2 HT 0.417000 1.0080 0 + 4280 WT0 2832 TIP3 OH2 OT -0.834000 15.9994 0 + 4281 WT0 2832 TIP3 H1 HT 0.417000 1.0080 0 + 4282 WT0 2832 TIP3 H2 HT 0.417000 1.0080 0 + 4283 WT0 2834 TIP3 OH2 OT -0.834000 15.9994 0 + 4284 WT0 2834 TIP3 H1 HT 0.417000 1.0080 0 + 4285 WT0 2834 TIP3 H2 HT 0.417000 1.0080 0 + 4286 WT0 2838 TIP3 OH2 OT -0.834000 15.9994 0 + 4287 WT0 2838 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4310 WT0 2850 TIP3 OH2 OT -0.834000 15.9994 0 + 4311 WT0 2850 TIP3 H1 HT 0.417000 1.0080 0 + 4312 WT0 2850 TIP3 H2 HT 0.417000 1.0080 0 + 4313 WT0 2852 TIP3 OH2 OT -0.834000 15.9994 0 + 4314 WT0 2852 TIP3 H1 HT 0.417000 1.0080 0 + 4315 WT0 2852 TIP3 H2 HT 0.417000 1.0080 0 + 4316 WT0 2857 TIP3 OH2 OT -0.834000 15.9994 0 + 4317 WT0 2857 TIP3 H1 HT 0.417000 1.0080 0 + 4318 WT0 2857 TIP3 H2 HT 0.417000 1.0080 0 + 4319 WT0 2858 TIP3 OH2 OT -0.834000 15.9994 0 + 4320 WT0 2858 TIP3 H1 HT 0.417000 1.0080 0 + 4321 WT0 2858 TIP3 H2 HT 0.417000 1.0080 0 + 4322 WT0 2859 TIP3 OH2 OT -0.834000 15.9994 0 + 4323 WT0 2859 TIP3 H1 HT 0.417000 1.0080 0 + 4324 WT0 2859 TIP3 H2 HT 0.417000 1.0080 0 + 4325 WT0 2860 TIP3 OH2 OT -0.834000 15.9994 0 + 4326 WT0 2860 TIP3 H1 HT 0.417000 1.0080 0 + 4327 WT0 2860 TIP3 H2 HT 0.417000 1.0080 0 + 4328 WT0 2861 TIP3 OH2 OT -0.834000 15.9994 0 + 4329 WT0 2861 TIP3 H1 HT 0.417000 1.0080 0 + 4330 WT0 2861 TIP3 H2 HT 0.417000 1.0080 0 + 4331 WT0 2863 TIP3 OH2 OT -0.834000 15.9994 0 + 4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 1.0080 0 + 4354 WT0 2878 TIP3 H2 HT 0.417000 1.0080 0 + 4355 WT0 2880 TIP3 OH2 OT -0.834000 15.9994 0 + 4356 WT0 2880 TIP3 H1 HT 0.417000 1.0080 0 + 4357 WT0 2880 TIP3 H2 HT 0.417000 1.0080 0 + 4358 WT0 2882 TIP3 OH2 OT -0.834000 15.9994 0 + 4359 WT0 2882 TIP3 H1 HT 0.417000 1.0080 0 + 4360 WT0 2882 TIP3 H2 HT 0.417000 1.0080 0 + 4361 WT0 2883 TIP3 OH2 OT -0.834000 15.9994 0 + 4362 WT0 2883 TIP3 H1 HT 0.417000 1.0080 0 + 4363 WT0 2883 TIP3 H2 HT 0.417000 1.0080 0 + 4364 WT0 2884 TIP3 OH2 OT -0.834000 15.9994 0 + 4365 WT0 2884 TIP3 H1 HT 0.417000 1.0080 0 + 4366 WT0 2884 TIP3 H2 HT 0.417000 1.0080 0 + 4367 WT0 2886 TIP3 OH2 OT -0.834000 15.9994 0 + 4368 WT0 2886 TIP3 H1 HT 0.417000 1.0080 0 + 4369 WT0 2886 TIP3 H2 HT 0.417000 1.0080 0 + 4370 WT0 2888 TIP3 OH2 OT -0.834000 15.9994 0 + 4371 WT0 2888 TIP3 H1 HT 0.417000 1.0080 0 + 4372 WT0 2888 TIP3 H2 HT 0.417000 1.0080 0 + 4373 WT0 2889 TIP3 OH2 OT -0.834000 15.9994 0 + 4374 WT0 2889 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 4397 WT0 2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 0 + 4419 WT0 2911 TIP3 H1 HT 0.417000 1.0080 0 + 4420 WT0 2911 TIP3 H2 HT 0.417000 1.0080 0 + 4421 WT0 2913 TIP3 OH2 OT -0.834000 15.9994 0 + 4422 WT0 2913 TIP3 H1 HT 0.417000 1.0080 0 + 4423 WT0 2913 TIP3 H2 HT 0.417000 1.0080 0 + 4424 WT0 2918 TIP3 OH2 OT -0.834000 15.9994 0 + 4425 WT0 2918 TIP3 H1 HT 0.417000 1.0080 0 + 4426 WT0 2918 TIP3 H2 HT 0.417000 1.0080 0 + 4427 WT0 2919 TIP3 OH2 OT -0.834000 15.9994 0 + 4428 WT0 2919 TIP3 H1 HT 0.417000 1.0080 0 + 4429 WT0 2919 TIP3 H2 HT 0.417000 1.0080 0 + 4430 WT0 2922 TIP3 OH2 OT -0.834000 15.9994 0 + 4431 WT0 2922 TIP3 H1 HT 0.417000 1.0080 0 + 4432 WT0 2922 TIP3 H2 HT 0.417000 1.0080 0 + 4433 WT0 2923 TIP3 OH2 OT -0.834000 15.9994 0 + 4434 WT0 2923 TIP3 H1 HT 0.417000 1.0080 0 + 4435 WT0 2923 TIP3 H2 HT 0.417000 1.0080 0 + 4436 WT0 2925 TIP3 OH2 OT -0.834000 15.9994 0 + 4437 WT0 2925 TIP3 H1 HT 0.417000 1.0080 0 + 4438 WT0 2925 TIP3 H2 HT 0.417000 1.0080 0 + 4439 WT0 2927 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 4462 WT0 2936 TIP3 H2 HT 0.417000 1.0080 0 + 4463 WT0 2941 TIP3 OH2 OT -0.834000 15.9994 0 + 4464 WT0 2941 TIP3 H1 HT 0.417000 1.0080 0 + 4465 WT0 2941 TIP3 H2 HT 0.417000 1.0080 0 + 4466 WT0 2943 TIP3 OH2 OT -0.834000 15.9994 0 + 4467 WT0 2943 TIP3 H1 HT 0.417000 1.0080 0 + 4468 WT0 2943 TIP3 H2 HT 0.417000 1.0080 0 + 4469 WT0 2944 TIP3 OH2 OT -0.834000 15.9994 0 + 4470 WT0 2944 TIP3 H1 HT 0.417000 1.0080 0 + 4471 WT0 2944 TIP3 H2 HT 0.417000 1.0080 0 + 4472 WT0 2946 TIP3 OH2 OT -0.834000 15.9994 0 + 4473 WT0 2946 TIP3 H1 HT 0.417000 1.0080 0 + 4474 WT0 2946 TIP3 H2 HT 0.417000 1.0080 0 + 4475 WT0 2951 TIP3 OH2 OT -0.834000 15.9994 0 + 4476 WT0 2951 TIP3 H1 HT 0.417000 1.0080 0 + 4477 WT0 2951 TIP3 H2 HT 0.417000 1.0080 0 + 4478 WT0 2952 TIP3 OH2 OT -0.834000 15.9994 0 + 4479 WT0 2952 TIP3 H1 HT 0.417000 1.0080 0 + 4480 WT0 2952 TIP3 H2 HT 0.417000 1.0080 0 + 4481 WT0 2953 TIP3 OH2 OT -0.834000 15.9994 0 + 4482 WT0 2953 TIP3 H1 HT 0.417000 1.0080 0 + 4483 WT0 2953 TIP3 H2 HT 0.417000 1.0080 0 + 4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT -0.834000 15.9994 0 + 4506 WT0 2967 TIP3 H1 HT 0.417000 1.0080 0 + 4507 WT0 2967 TIP3 H2 HT 0.417000 1.0080 0 + 4508 WT0 2969 TIP3 OH2 OT -0.834000 15.9994 0 + 4509 WT0 2969 TIP3 H1 HT 0.417000 1.0080 0 + 4510 WT0 2969 TIP3 H2 HT 0.417000 1.0080 0 + 4511 WT0 2972 TIP3 OH2 OT -0.834000 15.9994 0 + 4512 WT0 2972 TIP3 H1 HT 0.417000 1.0080 0 + 4513 WT0 2972 TIP3 H2 HT 0.417000 1.0080 0 + 4514 WT0 2975 TIP3 OH2 OT -0.834000 15.9994 0 + 4515 WT0 2975 TIP3 H1 HT 0.417000 1.0080 0 + 4516 WT0 2975 TIP3 H2 HT 0.417000 1.0080 0 + 4517 WT0 2979 TIP3 OH2 OT -0.834000 15.9994 0 + 4518 WT0 2979 TIP3 H1 HT 0.417000 1.0080 0 + 4519 WT0 2979 TIP3 H2 HT 0.417000 1.0080 0 + 4520 WT0 2983 TIP3 OH2 OT -0.834000 15.9994 0 + 4521 WT0 2983 TIP3 H1 HT 0.417000 1.0080 0 + 4522 WT0 2983 TIP3 H2 HT 0.417000 1.0080 0 + 4523 WT0 2986 TIP3 OH2 OT -0.834000 15.9994 0 + 4524 WT0 2986 TIP3 H1 HT 0.417000 1.0080 0 + 4525 WT0 2986 TIP3 H2 HT 0.417000 1.0080 0 + 4526 WT0 2988 TIP3 OH2 OT 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3006 TIP3 H1 HT 0.417000 1.0080 0 + 4549 WT0 3006 TIP3 H2 HT 0.417000 1.0080 0 + 4550 WT0 3010 TIP3 OH2 OT -0.834000 15.9994 0 + 4551 WT0 3010 TIP3 H1 HT 0.417000 1.0080 0 + 4552 WT0 3010 TIP3 H2 HT 0.417000 1.0080 0 + 4553 WT0 3011 TIP3 OH2 OT -0.834000 15.9994 0 + 4554 WT0 3011 TIP3 H1 HT 0.417000 1.0080 0 + 4555 WT0 3011 TIP3 H2 HT 0.417000 1.0080 0 + 4556 WT0 3012 TIP3 OH2 OT -0.834000 15.9994 0 + 4557 WT0 3012 TIP3 H1 HT 0.417000 1.0080 0 + 4558 WT0 3012 TIP3 H2 HT 0.417000 1.0080 0 + 4559 WT0 3013 TIP3 OH2 OT -0.834000 15.9994 0 + 4560 WT0 3013 TIP3 H1 HT 0.417000 1.0080 0 + 4561 WT0 3013 TIP3 H2 HT 0.417000 1.0080 0 + 4562 WT0 3016 TIP3 OH2 OT -0.834000 15.9994 0 + 4563 WT0 3016 TIP3 H1 HT 0.417000 1.0080 0 + 4564 WT0 3016 TIP3 H2 HT 0.417000 1.0080 0 + 4565 WT0 3017 TIP3 OH2 OT -0.834000 15.9994 0 + 4566 WT0 3017 TIP3 H1 HT 0.417000 1.0080 0 + 4567 WT0 3017 TIP3 H2 HT 0.417000 1.0080 0 + 4568 WT0 3022 TIP3 OH2 OT -0.834000 15.9994 0 + 4569 WT0 3022 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4592 WT0 3048 TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT -0.834000 15.9994 0 + 4794 WT0 3192 TIP3 H1 HT 0.417000 1.0080 0 + 4795 WT0 3192 TIP3 H2 HT 0.417000 1.0080 0 + 4796 WT0 3193 TIP3 OH2 OT -0.834000 15.9994 0 + 4797 WT0 3193 TIP3 H1 HT 0.417000 1.0080 0 + 4798 WT0 3193 TIP3 H2 HT 0.417000 1.0080 0 + 4799 WT0 3196 TIP3 OH2 OT -0.834000 15.9994 0 + 4800 WT0 3196 TIP3 H1 HT 0.417000 1.0080 0 + 4801 WT0 3196 TIP3 H2 HT 0.417000 1.0080 0 + 4802 WT0 3197 TIP3 OH2 OT -0.834000 15.9994 0 + 4803 WT0 3197 TIP3 H1 HT 0.417000 1.0080 0 + 4804 WT0 3197 TIP3 H2 HT 0.417000 1.0080 0 + 4805 WT0 3198 TIP3 OH2 OT -0.834000 15.9994 0 + 4806 WT0 3198 TIP3 H1 HT 0.417000 1.0080 0 + 4807 WT0 3198 TIP3 H2 HT 0.417000 1.0080 0 + 4808 WT0 3203 TIP3 OH2 OT -0.834000 15.9994 0 + 4809 WT0 3203 TIP3 H1 HT 0.417000 1.0080 0 + 4810 WT0 3203 TIP3 H2 HT 0.417000 1.0080 0 + 4811 WT0 3205 TIP3 OH2 OT -0.834000 15.9994 0 + 4812 WT0 3205 TIP3 H1 HT 0.417000 1.0080 0 + 4813 WT0 3205 TIP3 H2 HT 0.417000 1.0080 0 + 4814 WT0 3207 TIP3 OH2 OT -0.834000 15.9994 0 + 4815 WT0 3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 + 4831 WT0 3221 TIP3 H2 HT 0.417000 1.0080 0 + 4832 WT0 3223 TIP3 OH2 OT -0.834000 15.9994 0 + 4833 WT0 3223 TIP3 H1 HT 0.417000 1.0080 0 + 4834 WT0 3223 TIP3 H2 HT 0.417000 1.0080 0 + 4835 WT0 3224 TIP3 OH2 OT -0.834000 15.9994 0 + 4836 WT0 3224 TIP3 H1 HT 0.417000 1.0080 0 + 4837 WT0 3224 TIP3 H2 HT 0.417000 1.0080 0 + 4838 WT0 3225 TIP3 OH2 OT -0.834000 15.9994 0 + 4839 WT0 3225 TIP3 H1 HT 0.417000 1.0080 0 + 4840 WT0 3225 TIP3 H2 HT 0.417000 1.0080 0 + 4841 WT0 3226 TIP3 OH2 OT -0.834000 15.9994 0 + 4842 WT0 3226 TIP3 H1 HT 0.417000 1.0080 0 + 4843 WT0 3226 TIP3 H2 HT 0.417000 1.0080 0 + 4844 WT0 3227 TIP3 OH2 OT -0.834000 15.9994 0 + 4845 WT0 3227 TIP3 H1 HT 0.417000 1.0080 0 + 4846 WT0 3227 TIP3 H2 HT 0.417000 1.0080 0 + 4847 WT0 3228 TIP3 OH2 OT -0.834000 15.9994 0 + 4848 WT0 3228 TIP3 H1 HT 0.417000 1.0080 0 + 4849 WT0 3228 TIP3 H2 HT 0.417000 1.0080 0 + 4850 WT0 3233 TIP3 OH2 OT -0.834000 15.9994 0 + 4851 WT0 3233 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 + 5113 WT0 3390 TIP3 H2 HT 0.417000 1.0080 0 + 5114 WT0 3392 TIP3 OH2 OT -0.834000 15.9994 0 + 5115 WT0 3392 TIP3 H1 HT 0.417000 1.0080 0 + 5116 WT0 3392 TIP3 H2 HT 0.417000 1.0080 0 + 5117 WT0 3393 TIP3 OH2 OT -0.834000 15.9994 0 + 5118 WT0 3393 TIP3 H1 HT 0.417000 1.0080 0 + 5119 WT0 3393 TIP3 H2 HT 0.417000 1.0080 0 + 5120 WT0 3396 TIP3 OH2 OT -0.834000 15.9994 0 + 5121 WT0 3396 TIP3 H1 HT 0.417000 1.0080 0 + 5122 WT0 3396 TIP3 H2 HT 0.417000 1.0080 0 + 5123 WT0 3397 TIP3 OH2 OT -0.834000 15.9994 0 + 5124 WT0 3397 TIP3 H1 HT 0.417000 1.0080 0 + 5125 WT0 3397 TIP3 H2 HT 0.417000 1.0080 0 + 5126 WT0 3401 TIP3 OH2 OT -0.834000 15.9994 0 + 5127 WT0 3401 TIP3 H1 HT 0.417000 1.0080 0 + 5128 WT0 3401 TIP3 H2 HT 0.417000 1.0080 0 + 5129 WT0 3402 TIP3 OH2 OT -0.834000 15.9994 0 + 5130 WT0 3402 TIP3 H1 HT 0.417000 1.0080 0 + 5131 WT0 3402 TIP3 H2 HT 0.417000 1.0080 0 + 5132 WT0 3404 TIP3 OH2 OT -0.834000 15.9994 0 + 5133 WT0 3404 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT 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3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT -0.834000 15.9994 0 + 5922 WT0 3997 TIP3 H1 HT 0.417000 1.0080 0 + 5923 WT0 3997 TIP3 H2 HT 0.417000 1.0080 0 + 5924 WT0 3998 TIP3 OH2 OT -0.834000 15.9994 0 + 5925 WT0 3998 TIP3 H1 HT 0.417000 1.0080 0 + 5926 WT0 3998 TIP3 H2 HT 0.417000 1.0080 0 + 5927 WT0 3999 TIP3 OH2 OT -0.834000 15.9994 0 + 5928 WT0 3999 TIP3 H1 HT 0.417000 1.0080 0 + 5929 WT0 3999 TIP3 H2 HT 0.417000 1.0080 0 + 5930 WT0 4000 TIP3 OH2 OT -0.834000 15.9994 0 + 5931 WT0 4000 TIP3 H1 HT 0.417000 1.0080 0 + 5932 WT0 4000 TIP3 H2 HT 0.417000 1.0080 0 + 5933 WT0 4001 TIP3 OH2 OT -0.834000 15.9994 0 + 5934 WT0 4001 TIP3 H1 HT 0.417000 1.0080 0 + 5935 WT0 4001 TIP3 H2 HT 0.417000 1.0080 0 + 5936 WT0 4002 TIP3 OH2 OT 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4012 TIP3 H1 HT 0.417000 1.0080 0 + 5959 WT0 4012 TIP3 H2 HT 0.417000 1.0080 0 + 5960 WT0 4014 TIP3 OH2 OT -0.834000 15.9994 0 + 5961 WT0 4014 TIP3 H1 HT 0.417000 1.0080 0 + 5962 WT0 4014 TIP3 H2 HT 0.417000 1.0080 0 + 5963 WT0 4015 TIP3 OH2 OT -0.834000 15.9994 0 + 5964 WT0 4015 TIP3 H1 HT 0.417000 1.0080 0 + 5965 WT0 4015 TIP3 H2 HT 0.417000 1.0080 0 + 5966 WT0 4016 TIP3 OH2 OT -0.834000 15.9994 0 + 5967 WT0 4016 TIP3 H1 HT 0.417000 1.0080 0 + 5968 WT0 4016 TIP3 H2 HT 0.417000 1.0080 0 + 5969 WT0 4017 TIP3 OH2 OT -0.834000 15.9994 0 + 5970 WT0 4017 TIP3 H1 HT 0.417000 1.0080 0 + 5971 WT0 4017 TIP3 H2 HT 0.417000 1.0080 0 + 5972 WT0 4018 TIP3 OH2 OT -0.834000 15.9994 0 + 5973 WT0 4018 TIP3 H1 HT 0.417000 1.0080 0 + 5974 WT0 4018 TIP3 H2 HT 0.417000 1.0080 0 + 5975 WT0 4019 TIP3 OH2 OT -0.834000 15.9994 0 + 5976 WT0 4019 TIP3 H1 HT 0.417000 1.0080 0 + 5977 WT0 4019 TIP3 H2 HT 0.417000 1.0080 0 + 5978 WT0 4021 TIP3 OH2 OT -0.834000 15.9994 0 + 5979 WT0 4021 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 1.0080 0 + 6046 WT0 4063 TIP3 H2 HT 0.417000 1.0080 0 + 6047 WT0 4064 TIP3 OH2 OT -0.834000 15.9994 0 + 6048 WT0 4064 TIP3 H1 HT 0.417000 1.0080 0 + 6049 WT0 4064 TIP3 H2 HT 0.417000 1.0080 0 + 6050 WT0 4065 TIP3 OH2 OT -0.834000 15.9994 0 + 6051 WT0 4065 TIP3 H1 HT 0.417000 1.0080 0 + 6052 WT0 4065 TIP3 H2 HT 0.417000 1.0080 0 + 6053 WT0 4067 TIP3 OH2 OT -0.834000 15.9994 0 + 6054 WT0 4067 TIP3 H1 HT 0.417000 1.0080 0 + 6055 WT0 4067 TIP3 H2 HT 0.417000 1.0080 0 + 6056 WT0 4068 TIP3 OH2 OT -0.834000 15.9994 0 + 6057 WT0 4068 TIP3 H1 HT 0.417000 1.0080 0 + 6058 WT0 4068 TIP3 H2 HT 0.417000 1.0080 0 + 6059 WT0 4072 TIP3 OH2 OT -0.834000 15.9994 0 + 6060 WT0 4072 TIP3 H1 HT 0.417000 1.0080 0 + 6061 WT0 4072 TIP3 H2 HT 0.417000 1.0080 0 + 6062 WT0 4074 TIP3 OH2 OT -0.834000 15.9994 0 + 6063 WT0 4074 TIP3 H1 HT 0.417000 1.0080 0 + 6064 WT0 4074 TIP3 H2 HT 0.417000 1.0080 0 + 6065 WT0 4076 TIP3 OH2 OT -0.834000 15.9994 0 + 6066 WT0 4076 TIP3 H1 HT 0.417000 1.0080 0 + 6067 WT0 4076 TIP3 H2 HT 0.417000 1.0080 0 + 6068 WT0 4077 TIP3 OH2 OT -0.834000 15.9994 0 + 6069 WT0 4077 TIP3 H1 HT 0.417000 1.0080 0 + 6070 WT0 4077 TIP3 H2 HT 0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 0 + 6111 WT0 4099 TIP3 H1 HT 0.417000 1.0080 0 + 6112 WT0 4099 TIP3 H2 HT 0.417000 1.0080 0 + 6113 WT0 4101 TIP3 OH2 OT -0.834000 15.9994 0 + 6114 WT0 4101 TIP3 H1 HT 0.417000 1.0080 0 + 6115 WT0 4101 TIP3 H2 HT 0.417000 1.0080 0 + 6116 WT0 4103 TIP3 OH2 OT -0.834000 15.9994 0 + 6117 WT0 4103 TIP3 H1 HT 0.417000 1.0080 0 + 6118 WT0 4103 TIP3 H2 HT 0.417000 1.0080 0 + 6119 WT0 4105 TIP3 OH2 OT -0.834000 15.9994 0 + 6120 WT0 4105 TIP3 H1 HT 0.417000 1.0080 0 + 6121 WT0 4105 TIP3 H2 HT 0.417000 1.0080 0 + 6122 WT0 4106 TIP3 OH2 OT -0.834000 15.9994 0 + 6123 WT0 4106 TIP3 H1 HT 0.417000 1.0080 0 + 6124 WT0 4106 TIP3 H2 HT 0.417000 1.0080 0 + 6125 WT0 4107 TIP3 OH2 OT -0.834000 15.9994 0 + 6126 WT0 4107 TIP3 H1 HT 0.417000 1.0080 0 + 6127 WT0 4107 TIP3 H2 HT 0.417000 1.0080 0 + 6128 WT0 4108 TIP3 OH2 OT -0.834000 15.9994 0 + 6129 WT0 4108 TIP3 H1 HT 0.417000 1.0080 0 + 6130 WT0 4108 TIP3 H2 HT 0.417000 1.0080 0 + 6131 WT0 4109 TIP3 OH2 OT -0.834000 15.9994 0 + 6132 WT0 4109 TIP3 H1 HT 0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 1.0080 0 + 6187 WT0 4147 TIP3 H2 HT 0.417000 1.0080 0 + 6188 WT0 4148 TIP3 OH2 OT -0.834000 15.9994 0 + 6189 WT0 4148 TIP3 H1 HT 0.417000 1.0080 0 + 6190 WT0 4148 TIP3 H2 HT 0.417000 1.0080 0 + 6191 WT0 4149 TIP3 OH2 OT -0.834000 15.9994 0 + 6192 WT0 4149 TIP3 H1 HT 0.417000 1.0080 0 + 6193 WT0 4149 TIP3 H2 HT 0.417000 1.0080 0 + 6194 WT0 4150 TIP3 OH2 OT -0.834000 15.9994 0 + 6195 WT0 4150 TIP3 H1 HT 0.417000 1.0080 0 + 6196 WT0 4150 TIP3 H2 HT 0.417000 1.0080 0 + 6197 WT0 4151 TIP3 OH2 OT -0.834000 15.9994 0 + 6198 WT0 4151 TIP3 H1 HT 0.417000 1.0080 0 + 6199 WT0 4151 TIP3 H2 HT 0.417000 1.0080 0 + 6200 WT0 4152 TIP3 OH2 OT -0.834000 15.9994 0 + 6201 WT0 4152 TIP3 H1 HT 0.417000 1.0080 0 + 6202 WT0 4152 TIP3 H2 HT 0.417000 1.0080 0 + 6203 WT0 4157 TIP3 OH2 OT -0.834000 15.9994 0 + 6204 WT0 4157 TIP3 H1 HT 0.417000 1.0080 0 + 6205 WT0 4157 TIP3 H2 HT 0.417000 1.0080 0 + 6206 WT0 4158 TIP3 OH2 OT -0.834000 15.9994 0 + 6207 WT0 4158 TIP3 H1 HT 0.417000 1.0080 0 + 6208 WT0 4158 TIP3 H2 HT 0.417000 1.0080 0 + 6209 WT0 4159 TIP3 OH2 OT -0.834000 15.9994 0 + 6210 WT0 4159 TIP3 H1 HT 0.417000 1.0080 0 + 6211 WT0 4159 TIP3 H2 HT 0.417000 1.0080 0 + 6212 WT0 4161 TIP3 OH2 OT -0.834000 15.9994 0 + 6213 WT0 4161 TIP3 H1 HT 0.417000 1.0080 0 + 6214 WT0 4161 TIP3 H2 HT 0.417000 1.0080 0 + 6215 WT0 4164 TIP3 OH2 OT -0.834000 15.9994 0 + 6216 WT0 4164 TIP3 H1 HT 0.417000 1.0080 0 + 6217 WT0 4164 TIP3 H2 HT 0.417000 1.0080 0 + 6218 WT0 4166 TIP3 OH2 OT 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6327 WT0 4225 TIP3 H1 HT 0.417000 1.0080 0 + 6328 WT0 4225 TIP3 H2 HT 0.417000 1.0080 0 + 6329 WT0 4226 TIP3 OH2 OT -0.834000 15.9994 0 + 6330 WT0 4226 TIP3 H1 HT 0.417000 1.0080 0 + 6331 WT0 4226 TIP3 H2 HT 0.417000 1.0080 0 + 6332 WT0 4227 TIP3 OH2 OT -0.834000 15.9994 0 + 6333 WT0 4227 TIP3 H1 HT 0.417000 1.0080 0 + 6334 WT0 4227 TIP3 H2 HT 0.417000 1.0080 0 + 6335 WT0 4228 TIP3 OH2 OT -0.834000 15.9994 0 + 6336 WT0 4228 TIP3 H1 HT 0.417000 1.0080 0 + 6337 WT0 4228 TIP3 H2 HT 0.417000 1.0080 0 + 6338 WT0 4229 TIP3 OH2 OT -0.834000 15.9994 0 + 6339 WT0 4229 TIP3 H1 HT 0.417000 1.0080 0 + 6340 WT0 4229 TIP3 H2 HT 0.417000 1.0080 0 + 6341 WT0 4230 TIP3 OH2 OT -0.834000 15.9994 0 + 6342 WT0 4230 TIP3 H1 HT 0.417000 1.0080 0 + 6343 WT0 4230 TIP3 H2 HT 0.417000 1.0080 0 + 6344 WT0 4232 TIP3 OH2 OT -0.834000 15.9994 0 + 6345 WT0 4232 TIP3 H1 HT 0.417000 1.0080 0 + 6346 WT0 4232 TIP3 H2 HT 0.417000 1.0080 0 + 6347 WT0 4233 TIP3 OH2 OT -0.834000 15.9994 0 + 6348 WT0 4233 TIP3 H1 HT 0.417000 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6609 WT0 4474 TIP3 H1 HT 0.417000 1.0080 0 + 6610 WT0 4474 TIP3 H2 HT 0.417000 1.0080 0 + 6611 WT0 4477 TIP3 OH2 OT -0.834000 15.9994 0 + 6612 WT0 4477 TIP3 H1 HT 0.417000 1.0080 0 + 6613 WT0 4477 TIP3 H2 HT 0.417000 1.0080 0 + 6614 WT0 4478 TIP3 OH2 OT -0.834000 15.9994 0 + 6615 WT0 4478 TIP3 H1 HT 0.417000 1.0080 0 + 6616 WT0 4478 TIP3 H2 HT 0.417000 1.0080 0 + 6617 WT0 4479 TIP3 OH2 OT -0.834000 15.9994 0 + 6618 WT0 4479 TIP3 H1 HT 0.417000 1.0080 0 + 6619 WT0 4479 TIP3 H2 HT 0.417000 1.0080 0 + 6620 WT0 4482 TIP3 OH2 OT -0.834000 15.9994 0 + 6621 WT0 4482 TIP3 H1 HT 0.417000 1.0080 0 + 6622 WT0 4482 TIP3 H2 HT 0.417000 1.0080 0 + 6623 WT0 4483 TIP3 OH2 OT -0.834000 15.9994 0 + 6624 WT0 4483 TIP3 H1 HT 0.417000 1.0080 0 + 6625 WT0 4483 TIP3 H2 HT 0.417000 1.0080 0 + 6626 WT0 4485 TIP3 OH2 OT -0.834000 15.9994 0 + 6627 WT0 4485 TIP3 H1 HT 0.417000 1.0080 0 + 6628 WT0 4485 TIP3 H2 HT 0.417000 1.0080 0 + 6629 WT0 4494 TIP3 OH2 OT -0.834000 15.9994 0 + 6630 WT0 4494 TIP3 H1 HT 0.417000 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4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 0 + 6681 WT0 4518 TIP3 H1 HT 0.417000 1.0080 0 + 6682 WT0 4518 TIP3 H2 HT 0.417000 1.0080 0 + 6683 WT0 4519 TIP3 OH2 OT -0.834000 15.9994 0 + 6684 WT0 4519 TIP3 H1 HT 0.417000 1.0080 0 + 6685 WT0 4519 TIP3 H2 HT 0.417000 1.0080 0 + 6686 WT0 4520 TIP3 OH2 OT -0.834000 15.9994 0 + 6687 WT0 4520 TIP3 H1 HT 0.417000 1.0080 0 + 6688 WT0 4520 TIP3 H2 HT 0.417000 1.0080 0 + 6689 WT0 4522 TIP3 OH2 OT -0.834000 15.9994 0 + 6690 WT0 4522 TIP3 H1 HT 0.417000 1.0080 0 + 6691 WT0 4522 TIP3 H2 HT 0.417000 1.0080 0 + 6692 WT0 4523 TIP3 OH2 OT -0.834000 15.9994 0 + 6693 WT0 4523 TIP3 H1 HT 0.417000 1.0080 0 + 6694 WT0 4523 TIP3 H2 HT 0.417000 1.0080 0 + 6695 WT0 4525 TIP3 OH2 OT -0.834000 15.9994 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6761 WT0 4558 TIP3 OH2 OT -0.834000 15.9994 0 + 6762 WT0 4558 TIP3 H1 HT 0.417000 1.0080 0 + 6763 WT0 4558 TIP3 H2 HT 0.417000 1.0080 0 + 6764 WT0 4559 TIP3 OH2 OT -0.834000 15.9994 0 + 6765 WT0 4559 TIP3 H1 HT 0.417000 1.0080 0 + 6766 WT0 4559 TIP3 H2 HT 0.417000 1.0080 0 + 6767 WT0 4560 TIP3 OH2 OT -0.834000 15.9994 0 + 6768 WT0 4560 TIP3 H1 HT 0.417000 1.0080 0 + 6769 WT0 4560 TIP3 H2 HT 0.417000 1.0080 0 + 6770 WT0 4561 TIP3 OH2 OT -0.834000 15.9994 0 + 6771 WT0 4561 TIP3 H1 HT 0.417000 1.0080 0 + 6772 WT0 4561 TIP3 H2 HT 0.417000 1.0080 0 + 6773 WT0 4563 TIP3 OH2 OT -0.834000 15.9994 0 + 6774 WT0 4563 TIP3 H1 HT 0.417000 1.0080 0 + 6775 WT0 4563 TIP3 H2 HT 0.417000 1.0080 0 + 6776 WT0 4564 TIP3 OH2 OT -0.834000 15.9994 0 + 6777 WT0 4564 TIP3 H1 HT 0.417000 1.0080 0 + 6778 WT0 4564 TIP3 H2 HT 0.417000 1.0080 0 + 6779 WT0 4566 TIP3 OH2 OT -0.834000 15.9994 0 + 6780 WT0 4566 TIP3 H1 HT 0.417000 1.0080 0 + 6781 WT0 4566 TIP3 H2 HT 0.417000 1.0080 0 + 6782 WT0 4568 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT -0.834000 15.9994 0 + 7608 WT0 5137 TIP3 H1 HT 0.417000 1.0080 0 + 7609 WT0 5137 TIP3 H2 HT 0.417000 1.0080 0 + 7610 WT0 5138 TIP3 OH2 OT -0.834000 15.9994 0 + 7611 WT0 5138 TIP3 H1 HT 0.417000 1.0080 0 + 7612 WT0 5138 TIP3 H2 HT 0.417000 1.0080 0 + 7613 WT0 5140 TIP3 OH2 OT -0.834000 15.9994 0 + 7614 WT0 5140 TIP3 H1 HT 0.417000 1.0080 0 + 7615 WT0 5140 TIP3 H2 HT 0.417000 1.0080 0 + 7616 WT0 5146 TIP3 OH2 OT -0.834000 15.9994 0 + 7617 WT0 5146 TIP3 H1 HT 0.417000 1.0080 0 + 7618 WT0 5146 TIP3 H2 HT 0.417000 1.0080 0 + 7619 WT0 5149 TIP3 OH2 OT -0.834000 15.9994 0 + 7620 WT0 5149 TIP3 H1 HT 0.417000 1.0080 0 + 7621 WT0 5149 TIP3 H2 HT 0.417000 1.0080 0 + 7622 WT0 5151 TIP3 OH2 OT -0.834000 15.9994 0 + 7623 WT0 5151 TIP3 H1 HT 0.417000 1.0080 0 + 7624 WT0 5151 TIP3 H2 HT 0.417000 1.0080 0 + 7625 WT0 5152 TIP3 OH2 OT -0.834000 15.9994 0 + 7626 WT0 5152 TIP3 H1 HT 0.417000 1.0080 0 + 7627 WT0 5152 TIP3 H2 HT 0.417000 1.0080 0 + 7628 WT0 5153 TIP3 OH2 OT -0.834000 15.9994 0 + 7629 WT0 5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 + 7651 WT0 5164 TIP3 H2 HT 0.417000 1.0080 0 + 7652 WT0 5165 TIP3 OH2 OT -0.834000 15.9994 0 + 7653 WT0 5165 TIP3 H1 HT 0.417000 1.0080 0 + 7654 WT0 5165 TIP3 H2 HT 0.417000 1.0080 0 + 7655 WT0 5166 TIP3 OH2 OT -0.834000 15.9994 0 + 7656 WT0 5166 TIP3 H1 HT 0.417000 1.0080 0 + 7657 WT0 5166 TIP3 H2 HT 0.417000 1.0080 0 + 7658 WT0 5173 TIP3 OH2 OT -0.834000 15.9994 0 + 7659 WT0 5173 TIP3 H1 HT 0.417000 1.0080 0 + 7660 WT0 5173 TIP3 H2 HT 0.417000 1.0080 0 + 7661 WT0 5176 TIP3 OH2 OT -0.834000 15.9994 0 + 7662 WT0 5176 TIP3 H1 HT 0.417000 1.0080 0 + 7663 WT0 5176 TIP3 H2 HT 0.417000 1.0080 0 + 7664 WT0 5181 TIP3 OH2 OT -0.834000 15.9994 0 + 7665 WT0 5181 TIP3 H1 HT 0.417000 1.0080 0 + 7666 WT0 5181 TIP3 H2 HT 0.417000 1.0080 0 + 7667 WT0 5182 TIP3 OH2 OT -0.834000 15.9994 0 + 7668 WT0 5182 TIP3 H1 HT 0.417000 1.0080 0 + 7669 WT0 5182 TIP3 H2 HT 0.417000 1.0080 0 + 7670 WT0 5190 TIP3 OH2 OT -0.834000 15.9994 0 + 7671 WT0 5190 TIP3 H1 HT 0.417000 1.0080 0 + 7672 WT0 5190 TIP3 H2 HT 0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 + 8497 WT0 5891 TIP3 H2 HT 0.417000 1.0080 0 + 8498 WT0 5894 TIP3 OH2 OT -0.834000 15.9994 0 + 8499 WT0 5894 TIP3 H1 HT 0.417000 1.0080 0 + 8500 WT0 5894 TIP3 H2 HT 0.417000 1.0080 0 + 8501 WT0 5895 TIP3 OH2 OT -0.834000 15.9994 0 + 8502 WT0 5895 TIP3 H1 HT 0.417000 1.0080 0 + 8503 WT0 5895 TIP3 H2 HT 0.417000 1.0080 0 + 8504 WT0 5897 TIP3 OH2 OT -0.834000 15.9994 0 + 8505 WT0 5897 TIP3 H1 HT 0.417000 1.0080 0 + 8506 WT0 5897 TIP3 H2 HT 0.417000 1.0080 0 + 8507 WT0 5899 TIP3 OH2 OT -0.834000 15.9994 0 + 8508 WT0 5899 TIP3 H1 HT 0.417000 1.0080 0 + 8509 WT0 5899 TIP3 H2 HT 0.417000 1.0080 0 + 8510 WT0 5901 TIP3 OH2 OT -0.834000 15.9994 0 + 8511 WT0 5901 TIP3 H1 HT 0.417000 1.0080 0 + 8512 WT0 5901 TIP3 H2 HT 0.417000 1.0080 0 + 8513 WT0 5903 TIP3 OH2 OT -0.834000 15.9994 0 + 8514 WT0 5903 TIP3 H1 HT 0.417000 1.0080 0 + 8515 WT0 5903 TIP3 H2 HT 0.417000 1.0080 0 + 8516 WT0 5904 TIP3 OH2 OT -0.834000 15.9994 0 + 8517 WT0 5904 TIP3 H1 HT 0.417000 1.0080 0 + 8518 WT0 5904 TIP3 H2 HT 0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT -0.834000 15.9994 0 + 8736 WT0 6057 TIP3 H1 HT 0.417000 1.0080 0 + 8737 WT0 6057 TIP3 H2 HT 0.417000 1.0080 0 + 8738 WT0 6060 TIP3 OH2 OT -0.834000 15.9994 0 + 8739 WT0 6060 TIP3 H1 HT 0.417000 1.0080 0 + 8740 WT0 6060 TIP3 H2 HT 0.417000 1.0080 0 + 8741 WT0 6061 TIP3 OH2 OT -0.834000 15.9994 0 + 8742 WT0 6061 TIP3 H1 HT 0.417000 1.0080 0 + 8743 WT0 6061 TIP3 H2 HT 0.417000 1.0080 0 + 8744 WT0 6068 TIP3 OH2 OT -0.834000 15.9994 0 + 8745 WT0 6068 TIP3 H1 HT 0.417000 1.0080 0 + 8746 WT0 6068 TIP3 H2 HT 0.417000 1.0080 0 + 8747 WT0 6080 TIP3 OH2 OT -0.834000 15.9994 0 + 8748 WT0 6080 TIP3 H1 HT 0.417000 1.0080 0 + 8749 WT0 6080 TIP3 H2 HT 0.417000 1.0080 0 + 8750 WT0 6082 TIP3 OH2 OT -0.834000 15.9994 0 + 8751 WT0 6082 TIP3 H1 HT 0.417000 1.0080 0 + 8752 WT0 6082 TIP3 H2 HT 0.417000 1.0080 0 + 8753 WT0 6090 TIP3 OH2 OT -0.834000 15.9994 0 + 8754 WT0 6090 TIP3 H1 HT 0.417000 1.0080 0 + 8755 WT0 6090 TIP3 H2 HT 0.417000 1.0080 0 + 8756 WT0 6091 TIP3 OH2 OT -0.834000 15.9994 0 + 8757 WT0 6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 + 8779 WT0 6124 TIP3 H2 HT 0.417000 1.0080 0 + 8780 WT0 6129 TIP3 OH2 OT -0.834000 15.9994 0 + 8781 WT0 6129 TIP3 H1 HT 0.417000 1.0080 0 + 8782 WT0 6129 TIP3 H2 HT 0.417000 1.0080 0 + 8783 WT0 6136 TIP3 OH2 OT -0.834000 15.9994 0 + 8784 WT0 6136 TIP3 H1 HT 0.417000 1.0080 0 + 8785 WT0 6136 TIP3 H2 HT 0.417000 1.0080 0 + 8786 WT0 6138 TIP3 OH2 OT -0.834000 15.9994 0 + 8787 WT0 6138 TIP3 H1 HT 0.417000 1.0080 0 + 8788 WT0 6138 TIP3 H2 HT 0.417000 1.0080 0 + 8789 WT0 6139 TIP3 OH2 OT -0.834000 15.9994 0 + 8790 WT0 6139 TIP3 H1 HT 0.417000 1.0080 0 + 8791 WT0 6139 TIP3 H2 HT 0.417000 1.0080 0 + 8792 WT0 6146 TIP3 OH2 OT -0.834000 15.9994 0 + 8793 WT0 6146 TIP3 H1 HT 0.417000 1.0080 0 + 8794 WT0 6146 TIP3 H2 HT 0.417000 1.0080 0 + 8795 WT0 6157 TIP3 OH2 OT -0.834000 15.9994 0 + 8796 WT0 6157 TIP3 H1 HT 0.417000 1.0080 0 + 8797 WT0 6157 TIP3 H2 HT 0.417000 1.0080 0 + 8798 WT0 6158 TIP3 OH2 OT -0.834000 15.9994 0 + 8799 WT0 6158 TIP3 H1 HT 0.417000 1.0080 0 + 8800 WT0 6158 TIP3 H2 HT 0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 1.0080 0 + 8872 WT0 6230 TIP3 H2 HT 0.417000 1.0080 0 + 8873 WT0 6231 TIP3 OH2 OT -0.834000 15.9994 0 + 8874 WT0 6231 TIP3 H1 HT 0.417000 1.0080 0 + 8875 WT0 6231 TIP3 H2 HT 0.417000 1.0080 0 + 8876 WT0 6233 TIP3 OH2 OT -0.834000 15.9994 0 + 8877 WT0 6233 TIP3 H1 HT 0.417000 1.0080 0 + 8878 WT0 6233 TIP3 H2 HT 0.417000 1.0080 0 + 8879 WT0 6238 TIP3 OH2 OT -0.834000 15.9994 0 + 8880 WT0 6238 TIP3 H1 HT 0.417000 1.0080 0 + 8881 WT0 6238 TIP3 H2 HT 0.417000 1.0080 0 + 8882 WT0 6240 TIP3 OH2 OT -0.834000 15.9994 0 + 8883 WT0 6240 TIP3 H1 HT 0.417000 1.0080 0 + 8884 WT0 6240 TIP3 H2 HT 0.417000 1.0080 0 + 8885 WT0 6241 TIP3 OH2 OT -0.834000 15.9994 0 + 8886 WT0 6241 TIP3 H1 HT 0.417000 1.0080 0 + 8887 WT0 6241 TIP3 H2 HT 0.417000 1.0080 0 + 8888 WT0 6242 TIP3 OH2 OT -0.834000 15.9994 0 + 8889 WT0 6242 TIP3 H1 HT 0.417000 1.0080 0 + 8890 WT0 6242 TIP3 H2 HT 0.417000 1.0080 0 + 8891 WT0 6243 TIP3 OH2 OT -0.834000 15.9994 0 + 8892 WT0 6243 TIP3 H1 HT 0.417000 1.0080 0 + 8893 WT0 6243 TIP3 H2 HT 0.417000 1.0080 0 + 8894 WT0 6245 TIP3 OH2 OT -0.834000 15.9994 0 + 8895 WT0 6245 TIP3 H1 HT 0.417000 1.0080 0 + 8896 WT0 6245 TIP3 H2 HT 0.417000 1.0080 0 + 8897 WT0 6246 TIP3 OH2 OT -0.834000 15.9994 0 + 8898 WT0 6246 TIP3 H1 HT 0.417000 1.0080 0 + 8899 WT0 6246 TIP3 H2 HT 0.417000 1.0080 0 + 8900 WT0 6247 TIP3 OH2 OT -0.834000 15.9994 0 + 8901 WT0 6247 TIP3 H1 HT 0.417000 1.0080 0 + 8902 WT0 6247 TIP3 H2 HT 0.417000 1.0080 0 + 8903 WT0 6249 TIP3 OH2 OT -0.834000 15.9994 0 + 8904 WT0 6249 TIP3 H1 HT 0.417000 1.0080 0 + 8905 WT0 6249 TIP3 H2 HT 0.417000 1.0080 0 + 8906 WT0 6250 TIP3 OH2 OT -0.834000 15.9994 0 + 8907 WT0 6250 TIP3 H1 HT 0.417000 1.0080 0 + 8908 WT0 6250 TIP3 H2 HT 0.417000 1.0080 0 + 8909 WT0 6252 TIP3 OH2 OT -0.834000 15.9994 0 + 8910 WT0 6252 TIP3 H1 HT 0.417000 1.0080 0 + 8911 WT0 6252 TIP3 H2 HT 0.417000 1.0080 0 + 8912 WT0 6253 TIP3 OH2 OT -0.834000 15.9994 0 + 8913 WT0 6253 TIP3 H1 HT 0.417000 1.0080 0 + 8914 WT0 6253 TIP3 H2 HT 0.417000 1.0080 0 + 8915 WT0 6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT -0.834000 15.9994 0 + 8988 WT0 6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT -0.834000 15.9994 0 + 9024 WT0 6315 TIP3 H1 HT 0.417000 1.0080 0 + 9025 WT0 6315 TIP3 H2 HT 0.417000 1.0080 0 + 9026 WT0 6316 TIP3 OH2 OT -0.834000 15.9994 0 + 9027 WT0 6316 TIP3 H1 HT 0.417000 1.0080 0 + 9028 WT0 6316 TIP3 H2 HT 0.417000 1.0080 0 + 9029 WT0 6318 TIP3 OH2 OT -0.834000 15.9994 0 + 9030 WT0 6318 TIP3 H1 HT 0.417000 1.0080 0 + 9031 WT0 6318 TIP3 H2 HT 0.417000 1.0080 0 + 9032 WT0 6319 TIP3 OH2 OT -0.834000 15.9994 0 + 9033 WT0 6319 TIP3 H1 HT 0.417000 1.0080 0 + 9034 WT0 6319 TIP3 H2 HT 0.417000 1.0080 0 + 9035 WT0 6323 TIP3 OH2 OT -0.834000 15.9994 0 + 9036 WT0 6323 TIP3 H1 HT 0.417000 1.0080 0 + 9037 WT0 6323 TIP3 H2 HT 0.417000 1.0080 0 + 9038 WT0 6324 TIP3 OH2 OT -0.834000 15.9994 0 + 9039 WT0 6324 TIP3 H1 HT 0.417000 1.0080 0 + 9040 WT0 6324 TIP3 H2 HT 0.417000 1.0080 0 + 9041 WT0 6326 TIP3 OH2 OT -0.834000 15.9994 0 + 9042 WT0 6326 TIP3 H1 HT 0.417000 1.0080 0 + 9043 WT0 6326 TIP3 H2 HT 0.417000 1.0080 0 + 9044 WT0 6327 TIP3 OH2 OT -0.834000 15.9994 0 + 9045 WT0 6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT -0.834000 15.9994 0 + 9159 WT0 6404 TIP3 H1 HT 0.417000 1.0080 0 + 9160 WT0 6404 TIP3 H2 HT 0.417000 1.0080 0 + 9161 WT0 6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT -0.834000 15.9994 0 + 9300 WT0 6545 TIP3 H1 HT 0.417000 1.0080 0 + 9301 WT0 6545 TIP3 H2 HT 0.417000 1.0080 0 + 9302 WT0 6547 TIP3 OH2 OT -0.834000 15.9994 0 + 9303 WT0 6547 TIP3 H1 HT 0.417000 1.0080 0 + 9304 WT0 6547 TIP3 H2 HT 0.417000 1.0080 0 + 9305 WT0 6551 TIP3 OH2 OT -0.834000 15.9994 0 + 9306 WT0 6551 TIP3 H1 HT 0.417000 1.0080 0 + 9307 WT0 6551 TIP3 H2 HT 0.417000 1.0080 0 + 9308 WT0 6554 TIP3 OH2 OT -0.834000 15.9994 0 + 9309 WT0 6554 TIP3 H1 HT 0.417000 1.0080 0 + 9310 WT0 6554 TIP3 H2 HT 0.417000 1.0080 0 + 9311 WT0 6555 TIP3 OH2 OT -0.834000 15.9994 0 + 9312 WT0 6555 TIP3 H1 HT 0.417000 1.0080 0 + 9313 WT0 6555 TIP3 H2 HT 0.417000 1.0080 0 + 9314 WT0 6560 TIP3 OH2 OT -0.834000 15.9994 0 + 9315 WT0 6560 TIP3 H1 HT 0.417000 1.0080 0 + 9316 WT0 6560 TIP3 H2 HT 0.417000 1.0080 0 + 9317 WT0 6561 TIP3 OH2 OT -0.834000 15.9994 0 + 9318 WT0 6561 TIP3 H1 HT 0.417000 1.0080 0 + 9319 WT0 6561 TIP3 H2 HT 0.417000 1.0080 0 + 9320 WT0 6564 TIP3 OH2 OT -0.834000 15.9994 0 + 9321 WT0 6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 + 9343 WT0 6602 TIP3 H2 HT 0.417000 1.0080 0 + 9344 WT0 6604 TIP3 OH2 OT -0.834000 15.9994 0 + 9345 WT0 6604 TIP3 H1 HT 0.417000 1.0080 0 + 9346 WT0 6604 TIP3 H2 HT 0.417000 1.0080 0 + 9347 WT0 6614 TIP3 OH2 OT -0.834000 15.9994 0 + 9348 WT0 6614 TIP3 H1 HT 0.417000 1.0080 0 + 9349 WT0 6614 TIP3 H2 HT 0.417000 1.0080 0 + 9350 WT0 6615 TIP3 OH2 OT -0.834000 15.9994 0 + 9351 WT0 6615 TIP3 H1 HT 0.417000 1.0080 0 + 9352 WT0 6615 TIP3 H2 HT 0.417000 1.0080 0 + 9353 WT0 6616 TIP3 OH2 OT -0.834000 15.9994 0 + 9354 WT0 6616 TIP3 H1 HT 0.417000 1.0080 0 + 9355 WT0 6616 TIP3 H2 HT 0.417000 1.0080 0 + 9356 WT0 6618 TIP3 OH2 OT -0.834000 15.9994 0 + 9357 WT0 6618 TIP3 H1 HT 0.417000 1.0080 0 + 9358 WT0 6618 TIP3 H2 HT 0.417000 1.0080 0 + 9359 WT0 6623 TIP3 OH2 OT -0.834000 15.9994 0 + 9360 WT0 6623 TIP3 H1 HT 0.417000 1.0080 0 + 9361 WT0 6623 TIP3 H2 HT 0.417000 1.0080 0 + 9362 WT0 6628 TIP3 OH2 OT -0.834000 15.9994 0 + 9363 WT0 6628 TIP3 H1 HT 0.417000 1.0080 0 + 9364 WT0 6628 TIP3 H2 HT 0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 1.0080 0 + 11105 WT0 8940 TIP3 OH2 OT -0.834000 15.9994 0 + 11106 WT0 8940 TIP3 H1 HT 0.417000 1.0080 0 + 11107 WT0 8940 TIP3 H2 HT 0.417000 1.0080 0 + 11108 WT0 8949 TIP3 OH2 OT -0.834000 15.9994 0 + 11109 WT0 8949 TIP3 H1 HT 0.417000 1.0080 0 + 11110 WT0 8949 TIP3 H2 HT 0.417000 1.0080 0 + 11111 WT0 8950 TIP3 OH2 OT -0.834000 15.9994 0 + 11112 WT0 8950 TIP3 H1 HT 0.417000 1.0080 0 + 11113 WT0 8950 TIP3 H2 HT 0.417000 1.0080 0 + 11114 WT0 8952 TIP3 OH2 OT -0.834000 15.9994 0 + 11115 WT0 8952 TIP3 H1 HT 0.417000 1.0080 0 + 11116 WT0 8952 TIP3 H2 HT 0.417000 1.0080 0 + 11117 WT0 8954 TIP3 OH2 OT -0.834000 15.9994 0 + 11118 WT0 8954 TIP3 H1 HT 0.417000 1.0080 0 + 11119 WT0 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0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 + + 1 0 !NGRP + 0 0 0 + + 5 !NCRTERM: cross-terms + 190 192 194 197 192 194 197 199 + 214 216 218 221 216 218 221 223 + 265 267 269 272 267 269 272 274 + 380 382 384 387 382 384 387 389 + 544 546 548 551 546 548 551 553 + diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/input b/adaptivemd/input/e1s2_ntl9_1ns_1/input new file mode 100644 index 0000000..3a90054 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/input @@ -0,0 +1,18 @@ +bincoordinates input.coor +coordinates structure.pdb +cutoff 9 +extendedsystem input.xsc +thermostat on +thermostatdamping 0.1 +thermostattemp 350 +parameters parameters +pme on +restart on +structure structure.psf +switchdist 7.5 +switching on +temperature 350 +timestep 4 +trajectoryfile output.xtc +trajectoryperiod 25000 +run 250000 diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/input.coor b/adaptivemd/input/e1s2_ntl9_1ns_1/input.coor new file mode 100644 index 0000000..faaab87 Binary files /dev/null and b/adaptivemd/input/e1s2_ntl9_1ns_1/input.coor differ diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/input.xsc b/adaptivemd/input/e1s2_ntl9_1ns_1/input.xsc new file mode 100644 index 0000000..5a9cda3 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/input.xsc @@ -0,0 +1,3 @@ +# Extended system configuration restart file +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z s_x s_y s_z s_u s_v s_w +10000000 5.048889e+01 0 0 0 5.049091e+01 0 0 0 5.041617e+01 0 0 0 0 0 0 0 0 0 diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/job.sh b/adaptivemd/input/e1s2_ntl9_1ns_1/job.sh new file mode 100755 index 0000000..5714088 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/job.sh @@ -0,0 +1,10 @@ +#!/bin/bash + + +trap "touch /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e1s2_ntl9_1ns_1/jobqueues.done" EXIT SIGTERM + +export CUDA_VISIBLE_DEVICES=0 + +cd /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e1s2_ntl9_1ns_1 +/home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e1s2_ntl9_1ns_1/run.sh +mv *.xtc /home/sdoerr/Work/htmd/tutorials/adaptivemd/data/e1s2_ntl9_1ns_1 \ No newline at end of file diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/jobqueues.done b/adaptivemd/input/e1s2_ntl9_1ns_1/jobqueues.done new file mode 100644 index 0000000..e69de29 diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/log.txt b/adaptivemd/input/e1s2_ntl9_1ns_1/log.txt new file mode 100644 index 0000000..6902695 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/log.txt @@ -0,0 +1,230 @@ +WARNING: "acemd3" is depricated and will be removed in a future release! Use "acemd" instead +# +# ACEMD version 3.7.2 +# +# Copyright (C) 2017-2023 Acellera (www.acellera.com) +# +# By using ACEMD, you accept the terms and conditions of the ACEMD licence +# Check the licence by running "acemd --licence" +# More details: https://software.acellera.com/acemd/licence.html +# +# When publishing, please cite: +# ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale +# M. J. Harvey, G. Giupponi and G. De Fabritiis, +# J Chem. Theory. Comput. 2009 5(6), pp1632-1639 +# DOI: 10.1021/ct9000685 +# +# Arguments: +# input: input +# platform: +# device: +# ncpus: +# precision: mixed +# +# Licence: +# Product: ACEMD 3.0 +# Check floating licence: +# ACELLERA_LICENCE_SERVER -- not defined +# ACELLERA_LICENSE_SERVER -- not defined +# Check node-locked licence: +# ACELLERA_LICENCE_FILE -- not defined +# ACELLERA_LICENSE_FILE -- not defined +# /opt/acellera/licence.dat -- DENIED (Unable to locate target file) +# /opt/acellera/license.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/licence.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/license.dat -- DENIED (Unable to locate target file) +# +# WARNING: This ACEMD version expires in 27 days! +# +# Initialize Python +# Version: 3.10.13 +# Internal modules: /home/sdoerr/miniforge3/envs/htmd/lib/acemd/python +# +# Parse input +# File name: input +# Format: old +# WARNING: Deprecated keyword "thermostattemp" is replaced with "thermostattemperature" +# WARNING: Deprecated keyword "switchdist" is replaced with "switchdistance" +# +# Parse force field and topology files +# Force field: CHARMM +# PRM file: parameters +# PSF file: structure.psf +# WARNING: No NBFIX parameters exist for atom type ocl! +# WARNING: No NBFIX parameters exist for atom type obl! +# WARNING: No NBFIX parameters exist for atom type o2l! +# WARNING: No NBFIX parameters exist for atom type oc2d2! +# WARNING: No NBFIX parameters exist for atom type oc2dp! +# WARNING: No NBFIX parameters exist for atom type og2d2! +# WARNING: No NBFIX parameters exist for atom type og2p1! +# +# Force field parameters +# Number of atom parameters: 107 +# Number of bond parameters: 154 +# Number of angle parameters: 378 +# Number of dihedral parameters: 505 +# Number of improper parameters: 49 +# Number of CMAP parameters: 6 +# +# System topology +# Number of atoms: 11340 +# Number of bonds: 7762 +# Number of angles: 4719 +# Number of dihedrals: 1657 +# Number of impropers: 100 +# Number of CMAPs: 5 +# +# Initializing engine +# Version: 7.7 +# Plugin directory: /home/sdoerr/miniforge3/envs/htmd/lib/acemd +# Loaded plugins +# CPU +# PME +# CUDA +# CudaCompiler +# OpenCL +# PlumedCUDA +# PlumedOpenCL +# PlumedReference +# Available platforms +# CPU +# CUDA +# OpenCL +# +# Bonded interactions +# Harmonic bond interactions +# Number of terms: 7762 +# Harmonic angle interactions +# Number of terms: 4719 +# Urey-Bradley interactions +# Number of terms: 593 +# Number of skipped terms (zero force constant): 4126 +# Proper dihedral interations +# Number of terms: 1760 +# Number of skipped terms (zero force constants): 366 +# Improper dihedral interations +# Number of terms: 100 +# CMAP interactions +# Number of terms: 5 +# +# Non-bonded interactions +# Number of exclusions: 14126 +# Lennard-Jones terms +# Cutoff distance: 9.000 A +# Switching distance: 7.500 A +# Coulombic (PME) term +# Ewald tolerance: 0.000500 +# Using NBFIX +# No implicit solvent +# +# Constraining hydrogen (X-H) bonds +# Number of constrained bonds: 7454 +# Making water molecules rigid +# Number of water molecules: 3564 +# Number of constraints: 11018 +# +# Repartitioning hydrogen atom mass +# New hydrogen mass: 4.032 au +# Number of hydrogen atoms: 7454 +# +# Reading box sizes from input.xsc +# +# Creating simulation system +# Number of particles: 11340 +# Number of degrees of freedom 22999 +# Periodic box size: 50.489 50.491 50.416 A +# +# Integrator +# Type: velocity Verlet +# Step size: 4.00 fs +# Constraint tolerance: 1.0e-06 +# +# Thermostat +# Type: Langevin +# Target temperature: 350.00 K +# Friction coefficient: 0.10 ps^-1 +# +# Setting up platform: CUDA +# Interactions: 1 2 3 4 5 6 7 7 12 +# Platform properties: +# DeviceIndex: 0 +# DeviceName: NVIDIA GeForce RTX 4050 Laptop GPU +# UseBlockingSync: false +# Precision: mixed +# UseCpuPme: false +# CudaCompiler: /usr/local/cuda/bin/nvcc +# TempDirectory: /tmp +# CudaHostCompiler: +# DisablePmeStream: false +# DeterministicForces: false +# +# Set initial positions from an input file +# +# Simulation restart +# Restat file: restart.chk +# WARNING: the restart file does not exist! +# WARNING: Unable to restart! Continuing with the initial positions, velocities, simulation box size +# +# Initial velocities +# Distribution: Maxwell-Boltzmann +# Temperature: 350.00 K +# +# Optimize platform for MD +# Number of constraints: 11018 +# Harmonic bond interations +# Initial number of terms: 7762 +# Optimized number of terms: 308 +# Remaining interactions: 2 3 4 5 6 7 7 12 1 +# +# Running simulation +# Current step: 0 +# Number of steps: 250000 +# +# Trajectory output +# Positions: output.xtc +# Period: 25000 +# Wrapping: off +# +# Log, trajectory, and restart files are written every 100.000 ps (25000 steps) +# Step Time Bond Angle Urey-Bradley Dihedral Improper CMAP Non-bonded Implicit External Potential Kinetic Total Temperature Volume +# [ps] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [K] [A^3] + 25000 100.00 138.4300 325.0893 49.8885 74.0765 23.7292 -23.1662 -34217.9639 0.0000 0.0000 -33629.9166 8026.2086 -25603.7081 351.230 128522.41 +# Speed: average 639.17 ns/day, current 639.17 ns/day +# Progress: 10.0, remaining time: 0:02:01, ETA: Tue Jun 11 16:37:30 2024 + 50000 200.00 160.2157 351.1029 43.9763 66.1935 24.1624 -27.8786 -34332.0315 0.0000 0.0000 -33714.2593 8095.6764 -25618.5829 354.270 128522.41 +# Speed: average 639.75 ns/day, current 640.33 ns/day +# Progress: 20.0, remaining time: 0:01:48, ETA: Tue Jun 11 16:37:30 2024 + 75000 300.00 138.0300 363.8314 52.0726 54.7917 19.4351 -24.1509 -34296.9437 0.0000 0.0000 -33692.9338 8011.5058 -25681.4280 350.587 128522.41 +# Speed: average 639.71 ns/day, current 639.62 ns/day +# Progress: 30.0, remaining time: 0:01:34, ETA: Tue Jun 11 16:37:30 2024 + 100000 400.00 151.8447 338.5674 49.6574 70.7439 22.0283 -27.7565 -34456.6178 0.0000 0.0000 -33851.5326 8052.7334 -25798.7992 352.391 128522.41 +# Speed: average 639.70 ns/day, current 639.68 ns/day +# Progress: 40.0, remaining time: 0:01:21, ETA: Tue Jun 11 16:37:30 2024 + 125000 500.00 129.4284 321.7087 48.9654 70.6512 26.1681 -18.9958 -34101.3632 0.0000 0.0000 -33523.4372 8018.3976 -25505.0396 350.888 128522.41 +# Speed: average 639.44 ns/day, current 638.43 ns/day +# Progress: 50.0, remaining time: 0:01:07, ETA: Tue Jun 11 16:37:30 2024 + 150000 600.00 129.1686 350.5573 50.3591 67.8319 28.8079 -27.3299 -34292.6990 0.0000 0.0000 -33693.3041 7930.5511 -25762.7530 347.044 128522.41 +# Speed: average 639.47 ns/day, current 639.62 ns/day +# Progress: 60.0, remaining time: 0:00:54, ETA: Tue Jun 11 16:37:30 2024 + 175000 700.00 141.4658 343.5873 51.5377 64.0656 23.2634 -25.7182 -34301.0196 0.0000 0.0000 -33702.8179 7958.5401 -25744.2779 348.269 128522.41 +# Speed: average 639.43 ns/day, current 639.13 ns/day +# Progress: 70.0, remaining time: 0:00:40, ETA: Tue Jun 11 16:37:30 2024 + 200000 800.00 147.9870 319.8042 52.2643 81.9753 32.2711 -23.6011 -34409.1955 0.0000 0.0000 -33798.4949 7942.1201 -25856.3748 347.550 128522.41 +# Speed: average 639.50 ns/day, current 640.01 ns/day +# Progress: 80.0, remaining time: 0:00:27, ETA: Tue Jun 11 16:37:30 2024 + 225000 900.00 146.2293 353.9047 49.0668 61.9883 28.7935 -16.2934 -34467.8528 0.0000 0.0000 -33844.1636 8026.1588 -25818.0048 351.228 128522.41 +# Speed: average 639.52 ns/day, current 639.67 ns/day +# Progress: 90.0, remaining time: 0:00:13, ETA: Tue Jun 11 16:37:30 2024 + 250000 1000.00 147.8006 335.4210 45.9658 63.2337 20.6215 -19.0386 -34331.8990 0.0000 0.0000 -33737.8950 7926.3072 -25811.5878 346.858 128522.41 +# Speed: average 639.29 ns/day, current 637.29 ns/day +# Progress: 100.0, remaining time: 0:00:00, ETA: Tue Jun 11 16:37:30 2024 +# Writing final coordinates to "output.coor" +# Writing final velocities to "output.vel" +# Writing final simulation box to "output.xsc" +# +# Simulation completed! +# +# WARNING: ACEMD was simulating with a non-commercial licence! +# For commercial use, a commercial licence is required. +# More details: https://software.acellera.com/acemd +# diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/output.coor b/adaptivemd/input/e1s2_ntl9_1ns_1/output.coor new file mode 100644 index 0000000..e299b05 Binary files /dev/null and b/adaptivemd/input/e1s2_ntl9_1ns_1/output.coor differ diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/output.vel b/adaptivemd/input/e1s2_ntl9_1ns_1/output.vel new file mode 100644 index 0000000..b8c1a60 Binary files /dev/null and b/adaptivemd/input/e1s2_ntl9_1ns_1/output.vel differ diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/output.xsc b/adaptivemd/input/e1s2_ntl9_1ns_1/output.xsc new file mode 100644 index 0000000..aff6362 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/output.xsc @@ -0,0 +1,2 @@ +# XSC File generated by ACEMD +250000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/parameters b/adaptivemd/input/e1s2_ntl9_1ns_1/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/restart.chk b/adaptivemd/input/e1s2_ntl9_1ns_1/restart.chk new file mode 100644 index 0000000..3d4bcdd Binary files /dev/null and b/adaptivemd/input/e1s2_ntl9_1ns_1/restart.chk differ diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/restart.chk.bkp b/adaptivemd/input/e1s2_ntl9_1ns_1/restart.chk.bkp new file mode 100644 index 0000000..82ffc82 Binary files /dev/null and b/adaptivemd/input/e1s2_ntl9_1ns_1/restart.chk.bkp differ diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/run.sh b/adaptivemd/input/e1s2_ntl9_1ns_1/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/structure.pdb b/adaptivemd/input/e1s2_ntl9_1ns_1/structure.pdb new file mode 100644 index 0000000..ab55b80 --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 -4.106 -4.096 -14.157 0.00 0.00 P C +ATOM 2 HY1 MET 1 -4.416 -3.186 -14.717 0.00 0.00 P H +ATOM 3 HY2 MET 1 -3.726 -3.586 -13.247 0.00 0.00 P H +ATOM 4 HY3 MET 1 -5.016 -4.716 -14.037 0.00 0.00 P H +ATOM 5 CY MET 1 -3.086 -4.926 -14.917 0.00 0.00 P C +ATOM 6 OY MET 1 -3.296 -6.146 -15.137 0.00 0.00 P O +ATOM 7 N MET 1 -1.916 -4.296 -15.117 0.00 0.00 P N +ATOM 8 HN MET 1 -1.866 -3.376 -14.737 0.00 0.00 P H +ATOM 9 CA MET 1 -0.746 -4.556 -15.857 0.00 0.00 P C +ATOM 10 HA MET 1 -0.926 -4.556 -16.917 0.00 0.00 P H +ATOM 11 CB MET 1 0.444 -3.546 -15.687 0.00 0.00 P C +ATOM 12 HB1 MET 1 0.394 -3.416 -14.587 0.00 0.00 P H +ATOM 13 HB2 MET 1 1.324 -4.096 -16.077 0.00 0.00 P H +ATOM 14 CG MET 1 0.244 -2.296 -16.447 0.00 0.00 P C +ATOM 15 HG1 MET 1 -0.196 -2.466 -17.457 0.00 0.00 P H +ATOM 16 HG2 MET 1 -0.406 -1.456 -16.117 0.00 0.00 P H +ATOM 17 SD MET 1 1.864 -1.506 -16.727 0.00 0.00 P S +ATOM 18 CE MET 1 2.524 -1.206 -15.017 0.00 0.00 P C +ATOM 19 HE1 MET 1 3.594 -0.976 -15.187 0.00 0.00 P H +ATOM 20 HE2 MET 1 2.084 -0.366 -14.447 0.00 0.00 P H +ATOM 21 HE3 MET 1 2.344 -2.076 -14.347 0.00 0.00 P H +ATOM 22 C MET 1 -0.156 -6.056 -15.527 0.00 0.00 P C +ATOM 23 O MET 1 0.474 -6.416 -14.537 0.00 0.00 P O +ATOM 24 N LYS 2 -0.296 -6.936 -16.567 0.00 0.00 P N +ATOM 25 HN LYS 2 -0.866 -6.876 -17.387 0.00 0.00 P H +ATOM 26 CA LYS 2 0.164 -8.266 -16.537 0.00 0.00 P C +ATOM 27 HA LYS 2 -0.326 -8.576 -15.617 0.00 0.00 P H +ATOM 28 CB LYS 2 -0.306 -8.926 -17.847 0.00 0.00 P C +ATOM 29 HB1 LYS 2 -1.416 -8.976 -17.787 0.00 0.00 P H +ATOM 30 HB2 LYS 2 -0.076 -8.116 -18.577 0.00 0.00 P H +ATOM 31 CG LYS 2 0.394 -10.126 -18.277 0.00 0.00 P C +ATOM 32 HG1 LYS 2 1.414 -9.906 -18.647 0.00 0.00 P H +ATOM 33 HG2 LYS 2 0.504 -10.946 -17.537 0.00 0.00 P H +ATOM 34 CD LYS 2 -0.336 -10.746 -19.567 0.00 0.00 P C +ATOM 35 HD1 LYS 2 -1.396 -11.056 -19.497 0.00 0.00 P H +ATOM 36 HD2 LYS 2 -0.296 -9.966 -20.357 0.00 0.00 P H +ATOM 37 CE LYS 2 0.394 -12.076 -19.967 0.00 0.00 P C +ATOM 38 HE1 LYS 2 1.494 -12.076 -19.827 0.00 0.00 P H +ATOM 39 HE2 LYS 2 0.064 -12.976 -19.407 0.00 0.00 P H +ATOM 40 NZ LYS 2 0.174 -12.446 -21.437 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 -0.616 -13.106 -21.577 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 -0.006 -11.596 -22.017 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 1.054 -12.846 -21.817 0.00 0.00 P H +ATOM 44 C LYS 2 1.614 -8.656 -16.347 0.00 0.00 P C +ATOM 45 O LYS 2 2.104 -9.486 -15.557 0.00 0.00 P O +ATOM 46 N VAL 3 2.504 -7.896 -17.037 0.00 0.00 P N +ATOM 47 HN VAL 3 2.164 -7.136 -17.577 0.00 0.00 P H +ATOM 48 CA VAL 3 3.954 -7.796 -16.867 0.00 0.00 P C +ATOM 49 HA VAL 3 4.274 -8.576 -16.197 0.00 0.00 P H +ATOM 50 CB VAL 3 4.734 -7.806 -18.287 0.00 0.00 P C +ATOM 51 HB VAL 3 3.954 -7.316 -18.917 0.00 0.00 P H +ATOM 52 CG1 VAL 3 6.024 -7.046 -18.337 0.00 0.00 P C +ATOM 53 HG11 VAL 3 6.704 -7.486 -19.107 0.00 0.00 P H +ATOM 54 HG12 VAL 3 6.014 -5.976 -18.607 0.00 0.00 P H +ATOM 55 HG13 VAL 3 6.704 -7.216 -17.477 0.00 0.00 P H +ATOM 56 CG2 VAL 3 4.774 -9.136 -18.767 0.00 0.00 P C +ATOM 57 HG21 VAL 3 5.364 -9.176 -19.707 0.00 0.00 P H +ATOM 58 HG22 VAL 3 5.114 -9.826 -17.967 0.00 0.00 P H +ATOM 59 HG23 VAL 3 3.714 -9.456 -18.887 0.00 0.00 P H +ATOM 60 C VAL 3 4.384 -6.506 -16.117 0.00 0.00 P C +ATOM 61 O VAL 3 3.934 -5.396 -16.397 0.00 0.00 P O +ATOM 62 N ILE 4 5.044 -6.646 -14.957 0.00 0.00 P N +ATOM 63 HN ILE 4 5.154 -7.586 -14.647 0.00 0.00 P H +ATOM 64 CA ILE 4 5.414 -5.516 -14.117 0.00 0.00 P C +ATOM 65 HA ILE 4 4.814 -4.626 -14.247 0.00 0.00 P H +ATOM 66 CB ILE 4 5.404 -5.986 -12.737 0.00 0.00 P C +ATOM 67 HB ILE 4 4.414 -6.436 -12.527 0.00 0.00 P H +ATOM 68 CG2 ILE 4 6.324 -7.326 -12.347 0.00 0.00 P C +ATOM 69 HG21 ILE 4 6.264 -8.076 -13.157 0.00 0.00 P H +ATOM 70 HG22 ILE 4 7.364 -6.976 -12.187 0.00 0.00 P H +ATOM 71 HG23 ILE 4 6.034 -7.786 -11.377 0.00 0.00 P H +ATOM 72 CG1 ILE 4 5.374 -4.696 -11.817 0.00 0.00 P C +ATOM 73 HG11 ILE 4 5.644 -4.946 -10.767 0.00 0.00 P H +ATOM 74 HG12 ILE 4 6.164 -4.016 -12.207 0.00 0.00 P H +ATOM 75 CD ILE 4 4.044 -3.986 -11.737 0.00 0.00 P C +ATOM 76 HD1 ILE 4 3.584 -3.796 -12.727 0.00 0.00 P H +ATOM 77 HD2 ILE 4 3.374 -4.506 -11.017 0.00 0.00 P H +ATOM 78 HD3 ILE 4 4.154 -2.946 -11.357 0.00 0.00 P H +ATOM 79 C ILE 4 6.904 -5.026 -14.627 0.00 0.00 P C +ATOM 80 O ILE 4 7.904 -5.176 -13.927 0.00 0.00 P O +ATOM 81 N PHE 5 6.954 -4.326 -15.797 0.00 0.00 P N +ATOM 82 HN PHE 5 6.084 -3.996 -16.147 0.00 0.00 P H +ATOM 83 CA PHE 5 8.164 -3.836 -16.557 0.00 0.00 P C +ATOM 84 HA PHE 5 8.704 -3.116 -15.967 0.00 0.00 P H +ATOM 85 CB PHE 5 9.214 -4.996 -16.867 0.00 0.00 P C +ATOM 86 HB1 PHE 5 9.924 -5.166 -16.037 0.00 0.00 P H +ATOM 87 HB2 PHE 5 8.694 -5.956 -17.057 0.00 0.00 P H +ATOM 88 CG PHE 5 9.984 -4.876 -18.187 0.00 0.00 P C +ATOM 89 CD1 PHE 5 10.934 -3.806 -18.117 0.00 0.00 P C +ATOM 90 HD1 PHE 5 10.964 -3.176 -17.247 0.00 0.00 P H +ATOM 91 CE1 PHE 5 11.724 -3.426 -19.237 0.00 0.00 P C +ATOM 92 HE1 PHE 5 12.394 -2.576 -19.227 0.00 0.00 P H +ATOM 93 CZ PHE 5 11.474 -4.206 -20.427 0.00 0.00 P C +ATOM 94 HZ PHE 5 12.054 -4.056 -21.327 0.00 0.00 P H +ATOM 95 CD2 PHE 5 9.854 -5.706 -19.377 0.00 0.00 P C +ATOM 96 HD2 PHE 5 9.174 -6.546 -19.367 0.00 0.00 P H +ATOM 97 CE2 PHE 5 10.684 -5.306 -20.447 0.00 0.00 P C +ATOM 98 HE2 PHE 5 10.844 -5.816 -21.377 0.00 0.00 P H +ATOM 99 C PHE 5 7.744 -2.936 -17.707 0.00 0.00 P C +ATOM 100 O PHE 5 6.754 -3.266 -18.407 0.00 0.00 P O +ATOM 101 N LEU 6 8.214 -1.676 -17.717 0.00 0.00 P N +ATOM 102 HN LEU 6 8.734 -1.636 -16.867 0.00 0.00 P H +ATOM 103 CA LEU 6 7.964 -0.626 -18.637 0.00 0.00 P C +ATOM 104 HA LEU 6 7.744 -1.136 -19.567 0.00 0.00 P H +ATOM 105 CB LEU 6 6.624 0.154 -18.187 0.00 0.00 P C +ATOM 106 HB1 LEU 6 6.164 0.794 -18.967 0.00 0.00 P H +ATOM 107 HB2 LEU 6 5.904 -0.656 -17.917 0.00 0.00 P H +ATOM 108 CG LEU 6 6.834 1.094 -16.977 0.00 0.00 P C +ATOM 109 HG LEU 6 7.474 1.884 -17.417 0.00 0.00 P H +ATOM 110 CD1 LEU 6 5.504 1.704 -16.557 0.00 0.00 P C +ATOM 111 HD11 LEU 6 5.644 2.044 -15.517 0.00 0.00 P H +ATOM 112 HD12 LEU 6 5.304 2.614 -17.157 0.00 0.00 P H +ATOM 113 HD13 LEU 6 4.674 0.964 -16.557 0.00 0.00 P H +ATOM 114 CD2 LEU 6 7.594 0.434 -15.747 0.00 0.00 P C +ATOM 115 HD21 LEU 6 7.394 1.114 -14.887 0.00 0.00 P H +ATOM 116 HD22 LEU 6 7.174 -0.586 -15.617 0.00 0.00 P H +ATOM 117 HD23 LEU 6 8.674 0.374 -15.997 0.00 0.00 P H +ATOM 118 C LEU 6 9.034 0.274 -18.887 0.00 0.00 P C +ATOM 119 O LEU 6 10.034 0.324 -18.247 0.00 0.00 P O +ATOM 120 N LYS 7 8.854 0.914 -20.077 0.00 0.00 P N +ATOM 121 HN LYS 7 8.114 0.594 -20.657 0.00 0.00 P H +ATOM 122 CA LYS 7 10.044 1.754 -20.387 0.00 0.00 P C +ATOM 123 HA LYS 7 10.544 2.014 -19.467 0.00 0.00 P H +ATOM 124 CB LYS 7 10.974 1.154 -21.397 0.00 0.00 P C +ATOM 125 HB1 LYS 7 11.654 0.364 -21.027 0.00 0.00 P H +ATOM 126 HB2 LYS 7 10.264 0.664 -22.107 0.00 0.00 P H +ATOM 127 CG LYS 7 11.924 2.134 -22.057 0.00 0.00 P C +ATOM 128 HG1 LYS 7 11.434 2.934 -22.637 0.00 0.00 P H +ATOM 129 HG2 LYS 7 12.614 2.574 -21.297 0.00 0.00 P H +ATOM 130 CD LYS 7 12.804 1.464 -23.197 0.00 0.00 P C +ATOM 131 HD1 LYS 7 13.364 0.524 -22.977 0.00 0.00 P H +ATOM 132 HD2 LYS 7 12.024 1.354 -23.977 0.00 0.00 P H +ATOM 133 CE LYS 7 13.984 2.374 -23.657 0.00 0.00 P C +ATOM 134 HE1 LYS 7 14.704 1.754 -24.237 0.00 0.00 P H +ATOM 135 HE2 LYS 7 13.594 3.244 -24.227 0.00 0.00 P H +ATOM 136 NZ LYS 7 14.664 2.894 -22.417 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 14.834 2.094 -21.767 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 15.594 3.324 -22.627 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 14.274 3.674 -21.857 0.00 0.00 P H +ATOM 140 C LYS 7 9.514 3.234 -20.727 0.00 0.00 P C +ATOM 141 O LYS 7 8.454 3.394 -21.337 0.00 0.00 P O +ATOM 142 N ASP 8 10.254 4.294 -20.287 0.00 0.00 P N +ATOM 143 HN ASP 8 10.994 4.194 -19.627 0.00 0.00 P H +ATOM 144 CA ASP 8 9.984 5.684 -20.547 0.00 0.00 P C +ATOM 145 HA ASP 8 9.554 5.954 -21.497 0.00 0.00 P H +ATOM 146 CB ASP 8 9.064 6.394 -19.567 0.00 0.00 P C +ATOM 147 HB1 ASP 8 8.174 5.744 -19.727 0.00 0.00 P H +ATOM 148 HB2 ASP 8 9.464 6.444 -18.537 0.00 0.00 P H +ATOM 149 CG ASP 8 8.494 7.824 -20.037 0.00 0.00 P C +ATOM 150 OD1 ASP 8 9.114 8.384 -20.917 0.00 0.00 P O +ATOM 151 OD2 ASP 8 7.344 8.254 -19.527 0.00 0.00 P O +ATOM 152 C ASP 8 11.444 6.194 -20.387 0.00 0.00 P C +ATOM 153 O ASP 8 12.294 5.654 -19.687 0.00 0.00 P O +ATOM 154 N VAL 9 11.754 7.424 -20.987 0.00 0.00 P N +ATOM 155 HN VAL 9 11.054 7.654 -21.657 0.00 0.00 P H +ATOM 156 CA VAL 9 13.104 8.094 -20.897 0.00 0.00 P C +ATOM 157 HA VAL 9 13.614 7.374 -20.287 0.00 0.00 P H +ATOM 158 CB VAL 9 13.504 8.334 -22.297 0.00 0.00 P C +ATOM 159 HB VAL 9 12.904 9.224 -22.607 0.00 0.00 P H +ATOM 160 CG1 VAL 9 14.964 8.744 -22.207 0.00 0.00 P C +ATOM 161 HG11 VAL 9 15.474 8.794 -23.197 0.00 0.00 P H +ATOM 162 HG12 VAL 9 15.074 9.724 -21.697 0.00 0.00 P H +ATOM 163 HG13 VAL 9 15.594 7.974 -21.707 0.00 0.00 P H +ATOM 164 CG2 VAL 9 13.294 7.174 -23.097 0.00 0.00 P C +ATOM 165 HG21 VAL 9 13.854 6.264 -22.797 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.244 6.804 -23.187 0.00 0.00 P H +ATOM 167 HG23 VAL 9 13.704 7.424 -24.097 0.00 0.00 P H +ATOM 168 C VAL 9 12.854 9.324 -20.037 0.00 0.00 P C +ATOM 169 O VAL 9 13.944 9.734 -19.487 0.00 0.00 P O +ATOM 170 N LYS 10 11.654 9.954 -19.827 0.00 0.00 P N +ATOM 171 HN LYS 10 10.914 9.574 -20.377 0.00 0.00 P H +ATOM 172 CA LYS 10 11.374 11.144 -19.067 0.00 0.00 P C +ATOM 173 HA LYS 10 11.984 12.014 -19.267 0.00 0.00 P H +ATOM 174 CB LYS 10 9.914 11.744 -19.287 0.00 0.00 P C +ATOM 175 HB1 LYS 10 9.134 11.024 -18.967 0.00 0.00 P H +ATOM 176 HB2 LYS 10 9.714 12.704 -18.757 0.00 0.00 P H +ATOM 177 CG LYS 10 9.564 12.054 -20.757 0.00 0.00 P C +ATOM 178 HG1 LYS 10 10.244 12.874 -21.067 0.00 0.00 P H +ATOM 179 HG2 LYS 10 9.794 11.204 -21.427 0.00 0.00 P H +ATOM 180 CD LYS 10 8.204 12.544 -20.987 0.00 0.00 P C +ATOM 181 HD1 LYS 10 7.984 13.444 -20.367 0.00 0.00 P H +ATOM 182 HD2 LYS 10 8.154 12.744 -22.077 0.00 0.00 P H +ATOM 183 CE LYS 10 7.004 11.544 -20.757 0.00 0.00 P C +ATOM 184 HE1 LYS 10 6.924 11.174 -19.717 0.00 0.00 P H +ATOM 185 HE2 LYS 10 6.084 11.964 -21.217 0.00 0.00 P H +ATOM 186 NZ LYS 10 7.194 10.304 -21.557 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 6.984 10.314 -22.577 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 8.114 9.804 -21.517 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 6.594 9.664 -20.997 0.00 0.00 P H +ATOM 190 C LYS 10 11.494 10.874 -17.497 0.00 0.00 P C +ATOM 191 O LYS 10 11.554 9.654 -17.167 0.00 0.00 P O +ATOM 192 N GLY 11 11.554 11.934 -16.617 0.00 0.00 P N +ATOM 193 HN GLY 11 11.674 12.894 -16.877 0.00 0.00 P H +ATOM 194 CA GLY 11 11.804 11.714 -15.197 0.00 0.00 P C +ATOM 195 HA1 GLY 11 11.624 10.684 -14.897 0.00 0.00 P H +ATOM 196 HA2 GLY 11 12.824 11.974 -14.967 0.00 0.00 P H +ATOM 197 C GLY 11 10.984 12.574 -14.367 0.00 0.00 P C +ATOM 198 O GLY 11 11.364 13.694 -14.077 0.00 0.00 P O +ATOM 199 N MET 12 9.724 12.234 -14.107 0.00 0.00 P N +ATOM 200 HN MET 12 9.354 11.394 -14.487 0.00 0.00 P H +ATOM 201 CA MET 12 8.724 13.144 -13.467 0.00 0.00 P C +ATOM 202 HA MET 12 9.304 14.004 -13.167 0.00 0.00 P H +ATOM 203 CB MET 12 7.714 13.584 -14.457 0.00 0.00 P C +ATOM 204 HB1 MET 12 7.144 12.724 -14.877 0.00 0.00 P H +ATOM 205 HB2 MET 12 6.914 14.224 -14.027 0.00 0.00 P H +ATOM 206 CG MET 12 8.214 14.394 -15.617 0.00 0.00 P C +ATOM 207 HG1 MET 12 9.154 13.954 -16.027 0.00 0.00 P H +ATOM 208 HG2 MET 12 7.604 14.284 -16.537 0.00 0.00 P H +ATOM 209 SD MET 12 8.314 16.234 -15.317 0.00 0.00 P S +ATOM 210 CE MET 12 8.644 16.854 -16.977 0.00 0.00 P C +ATOM 211 HE1 MET 12 9.424 16.214 -17.437 0.00 0.00 P H +ATOM 212 HE2 MET 12 7.744 16.774 -17.617 0.00 0.00 P H +ATOM 213 HE3 MET 12 9.034 17.874 -16.777 0.00 0.00 P H +ATOM 214 C MET 12 8.014 12.744 -12.197 0.00 0.00 P C +ATOM 215 O MET 12 7.584 11.594 -12.077 0.00 0.00 P O +ATOM 216 N GLY 13 8.124 13.434 -11.077 0.00 0.00 P N +ATOM 217 HN GLY 13 8.724 14.214 -10.907 0.00 0.00 P H +ATOM 218 CA GLY 13 7.424 13.314 -9.787 0.00 0.00 P C +ATOM 219 HA1 GLY 13 7.634 12.324 -9.417 0.00 0.00 P H +ATOM 220 HA2 GLY 13 7.644 13.954 -8.947 0.00 0.00 P H +ATOM 221 C GLY 13 5.994 13.354 -10.017 0.00 0.00 P C +ATOM 222 O GLY 13 5.354 13.734 -11.107 0.00 0.00 P O +ATOM 223 N LYS 14 5.294 12.944 -8.987 0.00 0.00 P N +ATOM 224 HN LYS 14 5.714 12.984 -8.077 0.00 0.00 P H +ATOM 225 CA LYS 14 3.944 12.584 -8.987 0.00 0.00 P C +ATOM 226 HA LYS 14 3.444 12.924 -9.887 0.00 0.00 P H +ATOM 227 CB LYS 14 3.774 11.024 -9.127 0.00 0.00 P C +ATOM 228 HB1 LYS 14 2.774 10.864 -9.577 0.00 0.00 P H +ATOM 229 HB2 LYS 14 4.634 10.924 -9.827 0.00 0.00 P H +ATOM 230 CG LYS 14 4.124 10.234 -7.827 0.00 0.00 P C +ATOM 231 HG1 LYS 14 5.084 10.624 -7.437 0.00 0.00 P H +ATOM 232 HG2 LYS 14 3.354 10.374 -7.027 0.00 0.00 P H +ATOM 233 CD LYS 14 4.084 8.664 -8.087 0.00 0.00 P C +ATOM 234 HD1 LYS 14 4.974 8.554 -8.747 0.00 0.00 P H +ATOM 235 HD2 LYS 14 4.404 8.134 -7.167 0.00 0.00 P H +ATOM 236 CE LYS 14 2.784 8.214 -8.537 0.00 0.00 P C +ATOM 237 HE1 LYS 14 2.234 7.824 -7.657 0.00 0.00 P H +ATOM 238 HE2 LYS 14 2.064 8.784 -9.157 0.00 0.00 P H +ATOM 239 NZ LYS 14 3.144 7.004 -9.227 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 3.634 6.314 -8.627 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 2.374 6.404 -9.607 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 3.824 7.224 -9.987 0.00 0.00 P H +ATOM 243 C LYS 14 3.214 13.064 -7.707 0.00 0.00 P C +ATOM 244 O LYS 14 3.824 13.414 -6.687 0.00 0.00 P O +ATOM 245 N LYS 15 1.954 13.454 -7.927 0.00 0.00 P N +ATOM 246 HN LYS 15 1.694 13.704 -8.857 0.00 0.00 P H +ATOM 247 CA LYS 15 1.254 14.264 -6.857 0.00 0.00 P C +ATOM 248 HA LYS 15 1.794 14.474 -5.947 0.00 0.00 P H +ATOM 249 CB LYS 15 0.464 15.504 -7.437 0.00 0.00 P C +ATOM 250 HB1 LYS 15 -0.356 15.124 -8.087 0.00 0.00 P H +ATOM 251 HB2 LYS 15 -0.176 15.884 -6.617 0.00 0.00 P H +ATOM 252 CG LYS 15 1.154 16.724 -8.157 0.00 0.00 P C +ATOM 253 HG1 LYS 15 1.194 16.344 -9.197 0.00 0.00 P H +ATOM 254 HG2 LYS 15 0.374 17.514 -8.147 0.00 0.00 P H +ATOM 255 CD LYS 15 2.384 17.214 -7.487 0.00 0.00 P C +ATOM 256 HD1 LYS 15 2.194 17.564 -6.457 0.00 0.00 P H +ATOM 257 HD2 LYS 15 3.194 16.454 -7.447 0.00 0.00 P H +ATOM 258 CE LYS 15 3.014 18.564 -8.157 0.00 0.00 P C +ATOM 259 HE1 LYS 15 3.254 18.294 -9.207 0.00 0.00 P H +ATOM 260 HE2 LYS 15 2.174 19.304 -8.187 0.00 0.00 P H +ATOM 261 NZ LYS 15 4.234 19.054 -7.457 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 4.714 19.824 -7.957 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 3.774 19.544 -6.657 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 4.804 18.254 -7.117 0.00 0.00 P H +ATOM 265 C LYS 15 0.074 13.324 -6.237 0.00 0.00 P C +ATOM 266 O LYS 15 -0.866 13.104 -7.077 0.00 0.00 P O +ATOM 267 N GLY 16 0.084 12.764 -4.977 0.00 0.00 P N +ATOM 268 HN GLY 16 0.994 12.734 -4.557 0.00 0.00 P H +ATOM 269 CA GLY 16 -1.096 12.274 -4.247 0.00 0.00 P C +ATOM 270 HA1 GLY 16 -1.526 11.324 -4.517 0.00 0.00 P H +ATOM 271 HA2 GLY 16 -0.676 12.354 -3.257 0.00 0.00 P H +ATOM 272 C GLY 16 -2.296 13.274 -3.967 0.00 0.00 P C +ATOM 273 O GLY 16 -2.156 14.344 -3.567 0.00 0.00 P O +ATOM 274 N GLU 17 -3.526 12.774 -3.957 0.00 0.00 P N +ATOM 275 HN GLU 17 -3.806 11.824 -4.027 0.00 0.00 P H +ATOM 276 CA GLU 17 -4.646 13.654 -3.707 0.00 0.00 P C +ATOM 277 HA GLU 17 -4.526 14.474 -4.397 0.00 0.00 P H +ATOM 278 CB GLU 17 -5.896 12.964 -4.217 0.00 0.00 P C +ATOM 279 HB1 GLU 17 -5.676 13.004 -5.307 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -5.916 11.884 -3.917 0.00 0.00 P H +ATOM 281 CG GLU 17 -7.246 13.544 -3.947 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -8.026 12.914 -4.437 0.00 0.00 P H +ATOM 283 HG2 GLU 17 -7.396 13.474 -2.847 0.00 0.00 P H +ATOM 284 CD GLU 17 -7.536 14.854 -4.567 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -7.666 15.844 -3.827 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -7.886 14.974 -5.807 0.00 0.00 P O +ATOM 287 C GLU 17 -4.826 14.254 -2.297 0.00 0.00 P C +ATOM 288 O GLU 17 -4.326 13.694 -1.307 0.00 0.00 P O +ATOM 289 N ILE 18 -5.486 15.464 -2.167 0.00 0.00 P N +ATOM 290 HN ILE 18 -6.076 15.814 -2.897 0.00 0.00 P H +ATOM 291 CA ILE 18 -5.466 16.154 -0.937 0.00 0.00 P C +ATOM 292 HA ILE 18 -4.726 15.844 -0.227 0.00 0.00 P H +ATOM 293 CB ILE 18 -5.196 17.684 -1.107 0.00 0.00 P C +ATOM 294 HB ILE 18 -4.116 17.664 -1.387 0.00 0.00 P H +ATOM 295 CG2 ILE 18 -6.066 18.404 -2.227 0.00 0.00 P C +ATOM 296 HG21 ILE 18 -7.046 18.574 -1.747 0.00 0.00 P H +ATOM 297 HG22 ILE 18 -5.716 19.364 -2.677 0.00 0.00 P H +ATOM 298 HG23 ILE 18 -6.166 17.674 -3.057 0.00 0.00 P H +ATOM 299 CG1 ILE 18 -5.256 18.524 0.173 0.00 0.00 P C +ATOM 300 HG11 ILE 18 -6.246 19.024 0.233 0.00 0.00 P H +ATOM 301 HG12 ILE 18 -5.336 18.044 1.173 0.00 0.00 P H +ATOM 302 CD ILE 18 -4.206 19.534 0.333 0.00 0.00 P C +ATOM 303 HD1 ILE 18 -4.146 19.564 1.443 0.00 0.00 P H +ATOM 304 HD2 ILE 18 -3.186 19.394 -0.077 0.00 0.00 P H +ATOM 305 HD3 ILE 18 -4.466 20.554 -0.027 0.00 0.00 P H +ATOM 306 C ILE 18 -6.636 15.914 -0.077 0.00 0.00 P C +ATOM 307 O ILE 18 -6.666 15.894 1.183 0.00 0.00 P O +ATOM 308 N LYS 19 -7.726 15.504 -0.677 0.00 0.00 P N +ATOM 309 HN LYS 19 -7.886 15.834 -1.607 0.00 0.00 P H +ATOM 310 CA LYS 19 -8.876 14.844 -0.097 0.00 0.00 P C +ATOM 311 HA LYS 19 -9.246 15.484 0.703 0.00 0.00 P H +ATOM 312 CB LYS 19 -10.116 14.934 -1.007 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -9.866 14.384 -1.937 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -11.076 14.704 -0.517 0.00 0.00 P H +ATOM 315 CG LYS 19 -10.346 16.344 -1.687 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -10.646 16.814 -0.727 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -9.406 16.904 -1.897 0.00 0.00 P H +ATOM 318 CD LYS 19 -11.446 16.334 -2.777 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -12.336 15.764 -2.437 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -11.766 17.384 -2.937 0.00 0.00 P H +ATOM 321 CE LYS 19 -10.826 15.874 -4.097 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -10.106 15.034 -4.017 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -11.586 15.664 -4.867 0.00 0.00 P H +ATOM 324 NZ LYS 19 -9.986 16.974 -4.617 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -10.216 17.084 -5.627 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -9.986 17.884 -4.117 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -9.056 16.524 -4.607 0.00 0.00 P H +ATOM 328 C LYS 19 -8.816 13.474 0.473 0.00 0.00 P C +ATOM 329 O LYS 19 -9.736 13.084 1.153 0.00 0.00 P O +ATOM 330 N ASN 20 -7.766 12.794 0.173 0.00 0.00 P N +ATOM 331 HN ASN 20 -7.006 13.274 -0.267 0.00 0.00 P H +ATOM 332 CA ASN 20 -7.436 11.504 0.573 0.00 0.00 P C +ATOM 333 HA ASN 20 -8.186 11.254 1.313 0.00 0.00 P H +ATOM 334 CB ASN 20 -7.276 10.474 -0.577 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -8.246 10.504 -1.117 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -6.456 10.874 -1.217 0.00 0.00 P H +ATOM 337 CG ASN 20 -7.166 8.944 -0.187 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -7.176 8.014 -0.997 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -7.196 8.604 1.123 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -7.406 7.634 1.223 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -7.406 9.384 1.713 0.00 0.00 P H +ATOM 342 C ASN 20 -6.156 11.474 1.303 0.00 0.00 P C +ATOM 343 O ASN 20 -5.146 11.254 0.623 0.00 0.00 P O +ATOM 344 N VAL 21 -6.056 11.834 2.613 0.00 0.00 P N +ATOM 345 HN VAL 21 -6.926 12.154 2.983 0.00 0.00 P H +ATOM 346 CA VAL 21 -4.986 11.844 3.483 0.00 0.00 P C +ATOM 347 HA VAL 21 -4.096 11.724 2.873 0.00 0.00 P H +ATOM 348 CB VAL 21 -4.726 13.224 4.233 0.00 0.00 P C +ATOM 349 HB VAL 21 -3.656 13.304 4.543 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -5.116 14.334 3.203 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -4.686 15.314 3.523 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -4.696 14.254 2.173 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.206 14.264 2.983 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.646 13.294 5.463 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -5.396 14.234 6.013 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -6.636 13.504 5.013 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.676 12.384 6.093 0.00 0.00 P H +ATOM 358 C VAL 21 -4.956 10.664 4.313 0.00 0.00 P C +ATOM 359 O VAL 21 -5.946 9.974 4.323 0.00 0.00 P O +ATOM 360 N ALA 22 -3.896 10.354 5.053 0.00 0.00 P N +ATOM 361 HN ALA 22 -3.136 10.984 4.963 0.00 0.00 P H +ATOM 362 CA ALA 22 -3.826 9.154 5.803 0.00 0.00 P C +ATOM 363 HA ALA 22 -4.306 8.384 5.213 0.00 0.00 P H +ATOM 364 CB ALA 22 -2.276 8.804 6.033 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -1.696 9.514 6.673 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -2.296 7.854 6.603 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -1.916 8.784 4.983 0.00 0.00 P H +ATOM 368 C ALA 22 -4.516 9.274 7.123 0.00 0.00 P C +ATOM 369 O ALA 22 -4.486 10.274 7.823 0.00 0.00 P O +ATOM 370 N ASP 23 -5.156 8.164 7.553 0.00 0.00 P N +ATOM 371 HN ASP 23 -5.446 7.374 7.033 0.00 0.00 P H +ATOM 372 CA ASP 23 -5.936 8.074 8.843 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.476 9.014 8.793 0.00 0.00 P H +ATOM 374 CB ASP 23 -6.896 6.804 9.003 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -6.266 5.904 8.843 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.156 6.704 10.073 0.00 0.00 P H +ATOM 377 CG ASP 23 -8.006 6.694 8.003 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -8.026 7.124 6.823 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -8.776 5.694 8.283 0.00 0.00 P O +ATOM 380 C ASP 23 -5.056 8.294 10.003 0.00 0.00 P C +ATOM 381 O ASP 23 -4.256 7.454 10.283 0.00 0.00 P O +ATOM 382 N GLY 24 -5.156 9.494 10.653 0.00 0.00 P N +ATOM 383 HN GLY 24 -5.676 10.164 10.143 0.00 0.00 P H +ATOM 384 CA GLY 24 -4.256 9.944 11.733 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -3.356 9.614 11.243 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -4.406 11.014 11.833 0.00 0.00 P H +ATOM 387 C GLY 24 -4.366 9.234 13.013 0.00 0.00 P C +ATOM 388 O GLY 24 -3.426 8.884 13.753 0.00 0.00 P O +ATOM 389 N TYR 25 -5.546 8.974 13.523 0.00 0.00 P N +ATOM 390 HN TYR 25 -6.246 9.344 12.923 0.00 0.00 P H +ATOM 391 CA TYR 25 -5.836 8.174 14.673 0.00 0.00 P C +ATOM 392 HA TYR 25 -4.986 7.864 15.253 0.00 0.00 P H +ATOM 393 CB TYR 25 -6.906 8.984 15.573 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -7.816 9.164 14.953 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -7.146 8.424 16.503 0.00 0.00 P H +ATOM 396 CG TYR 25 -6.236 10.184 16.073 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -6.506 11.404 15.533 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -7.266 11.404 14.763 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -5.836 12.554 15.953 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -6.026 13.504 15.483 0.00 0.00 P H +ATOM 401 CZ TYR 25 -4.926 12.404 17.053 0.00 0.00 P C +ATOM 402 OH TYR 25 -4.526 13.664 17.603 0.00 0.00 P O +ATOM 403 HH TYR 25 -4.606 14.214 16.813 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -5.246 10.024 17.063 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -4.796 9.114 17.453 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -4.506 11.134 17.433 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -3.746 11.134 18.193 0.00 0.00 P H +ATOM 408 C TYR 25 -6.496 6.784 14.293 0.00 0.00 P C +ATOM 409 O TYR 25 -7.596 6.394 14.653 0.00 0.00 P O +ATOM 410 N ALA 26 -5.716 6.054 13.373 0.00 0.00 P N +ATOM 411 HN ALA 26 -4.796 6.414 13.293 0.00 0.00 P H +ATOM 412 CA ALA 26 -6.136 4.764 12.983 0.00 0.00 P C +ATOM 413 HA ALA 26 -7.206 4.704 13.013 0.00 0.00 P H +ATOM 414 CB ALA 26 -5.576 4.374 11.513 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -6.066 3.474 11.093 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -5.696 5.204 10.783 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -4.476 4.424 11.643 0.00 0.00 P H +ATOM 418 C ALA 26 -5.616 3.724 13.983 0.00 0.00 P C +ATOM 419 O ALA 26 -4.526 3.704 14.553 0.00 0.00 P O +ATOM 420 N ASN 27 -6.446 2.664 14.213 0.00 0.00 P N +ATOM 421 HN ASN 27 -7.386 2.504 13.943 0.00 0.00 P H +ATOM 422 CA ASN 27 -6.096 1.674 15.153 0.00 0.00 P C +ATOM 423 HA ASN 27 -5.066 1.744 15.463 0.00 0.00 P H +ATOM 424 CB ASN 27 -7.106 1.824 16.453 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -7.096 2.924 16.573 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -8.116 1.434 16.213 0.00 0.00 P H +ATOM 427 CG ASN 27 -6.586 0.994 17.633 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -5.556 0.274 17.683 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -7.476 1.024 18.663 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -8.246 1.654 18.613 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -7.536 0.274 19.323 0.00 0.00 P H +ATOM 432 C ASN 27 -6.246 0.334 14.493 0.00 0.00 P C +ATOM 433 O ASN 27 -7.236 -0.016 13.943 0.00 0.00 P O +ATOM 434 N ASN 28 -5.066 -0.426 14.673 0.00 0.00 P N +ATOM 435 HN ASN 28 -4.256 -0.136 15.173 0.00 0.00 P H +ATOM 436 CA ASN 28 -4.736 -1.696 14.023 0.00 0.00 P C +ATOM 437 HA ASN 28 -5.306 -1.726 13.113 0.00 0.00 P H +ATOM 438 CB ASN 28 -3.266 -1.756 13.583 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -2.666 -1.606 14.513 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -3.166 -2.766 13.133 0.00 0.00 P H +ATOM 441 CG ASN 28 -2.736 -0.766 12.473 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -1.486 -0.556 12.543 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -3.476 -0.186 11.593 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -4.316 -0.686 11.373 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -3.056 0.504 11.003 0.00 0.00 P H +ATOM 446 C ASN 28 -5.256 -2.836 14.793 0.00 0.00 P C +ATOM 447 O ASN 28 -4.896 -3.106 15.933 0.00 0.00 P O +ATOM 448 N PHE 29 -6.256 -3.596 14.263 0.00 0.00 P N +ATOM 449 HN PHE 29 -6.826 -3.436 13.463 0.00 0.00 P H +ATOM 450 CA PHE 29 -6.816 -4.796 14.923 0.00 0.00 P C +ATOM 451 HA PHE 29 -7.066 -4.436 15.903 0.00 0.00 P H +ATOM 452 CB PHE 29 -7.976 -5.526 14.143 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -7.956 -5.876 13.093 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -8.276 -6.366 14.813 0.00 0.00 P H +ATOM 455 CG PHE 29 -9.076 -4.416 14.073 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -10.106 -4.446 13.063 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -10.166 -5.116 12.213 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -11.006 -3.416 12.973 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -11.776 -3.426 12.213 0.00 0.00 P H +ATOM 460 CZ PHE 29 -11.106 -2.546 14.003 0.00 0.00 P C +ATOM 461 HZ PHE 29 -11.786 -1.716 13.833 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -9.216 -3.576 15.123 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -8.676 -3.586 16.053 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.256 -2.596 15.153 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.386 -1.996 16.043 0.00 0.00 P H +ATOM 466 C PHE 29 -5.666 -5.866 15.073 0.00 0.00 P C +ATOM 467 O PHE 29 -4.696 -6.096 14.333 0.00 0.00 P O +ATOM 468 N LEU 30 -5.586 -6.406 16.303 0.00 0.00 P N +ATOM 469 HN LEU 30 -6.036 -5.936 17.053 0.00 0.00 P H +ATOM 470 CA LEU 30 -4.616 -7.346 16.733 0.00 0.00 P C +ATOM 471 HA LEU 30 -3.746 -6.896 16.293 0.00 0.00 P H +ATOM 472 CB LEU 30 -4.676 -7.366 18.333 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -5.586 -7.816 18.793 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -3.766 -7.986 18.463 0.00 0.00 P H +ATOM 475 CG LEU 30 -4.276 -5.986 18.933 0.00 0.00 P C +ATOM 476 HG LEU 30 -4.956 -5.116 18.783 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -4.186 -6.206 20.453 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -3.696 -5.346 20.953 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -5.066 -6.566 21.033 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -3.366 -6.946 20.473 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -2.996 -5.526 18.273 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -2.316 -6.386 18.073 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -3.256 -5.046 17.313 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -2.356 -4.826 18.863 0.00 0.00 P H +ATOM 485 C LEU 30 -4.856 -8.816 16.193 0.00 0.00 P C +ATOM 486 O LEU 30 -5.966 -9.146 15.753 0.00 0.00 P O +ATOM 487 N PHE 31 -3.886 -9.746 16.233 0.00 0.00 P N +ATOM 488 HN PHE 31 -3.016 -9.396 16.593 0.00 0.00 P H +ATOM 489 CA PHE 31 -3.846 -11.006 15.583 0.00 0.00 P C +ATOM 490 HA PHE 31 -3.746 -10.906 14.513 0.00 0.00 P H +ATOM 491 CB PHE 31 -2.466 -11.796 15.883 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -1.656 -11.036 15.803 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -2.526 -12.246 16.903 0.00 0.00 P H +ATOM 494 CG PHE 31 -1.996 -12.886 14.903 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -2.196 -14.266 15.163 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -2.586 -14.596 16.123 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -1.836 -15.216 14.183 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -2.136 -16.246 14.333 0.00 0.00 P H +ATOM 499 CZ PHE 31 -1.256 -14.796 12.943 0.00 0.00 P C +ATOM 500 HZ PHE 31 -1.116 -15.536 12.173 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -1.406 -12.566 13.663 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -1.226 -11.516 13.523 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -1.106 -13.456 12.713 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -0.626 -13.256 11.773 0.00 0.00 P H +ATOM 505 C PHE 31 -5.116 -11.976 15.823 0.00 0.00 P C +ATOM 506 O PHE 31 -5.576 -11.976 16.903 0.00 0.00 P O +ATOM 507 N LYS 32 -5.616 -12.656 14.803 0.00 0.00 P N +ATOM 508 HN LYS 32 -5.286 -12.496 13.883 0.00 0.00 P H +ATOM 509 CA LYS 32 -6.866 -13.476 14.783 0.00 0.00 P C +ATOM 510 HA LYS 32 -7.706 -12.826 14.973 0.00 0.00 P H +ATOM 511 CB LYS 32 -6.976 -13.966 13.343 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -7.256 -13.036 12.803 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -5.956 -14.326 13.083 0.00 0.00 P H +ATOM 514 CG LYS 32 -8.206 -14.886 13.083 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -8.176 -15.276 12.043 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.046 -15.756 13.753 0.00 0.00 P H +ATOM 517 CD LYS 32 -9.526 -14.346 13.583 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -10.246 -15.186 13.643 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -9.456 -13.926 14.613 0.00 0.00 P H +ATOM 520 CE LYS 32 -10.216 -13.246 12.753 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -9.526 -12.396 12.613 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -10.326 -13.466 11.673 0.00 0.00 P H +ATOM 523 NZ LYS 32 -11.376 -12.656 13.343 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -11.536 -11.646 13.133 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -12.206 -13.256 13.143 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -11.146 -12.756 14.353 0.00 0.00 P H +ATOM 527 C LYS 32 -7.036 -14.626 15.793 0.00 0.00 P C +ATOM 528 O LYS 32 -8.156 -14.776 16.303 0.00 0.00 P O +ATOM 529 N GLN 33 -5.916 -15.416 16.033 0.00 0.00 P N +ATOM 530 HN GLN 33 -5.146 -15.316 15.413 0.00 0.00 P H +ATOM 531 CA GLN 33 -6.006 -16.386 17.063 0.00 0.00 P C +ATOM 532 HA GLN 33 -6.986 -16.836 17.113 0.00 0.00 P H +ATOM 533 CB GLN 33 -5.116 -17.506 16.573 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -4.096 -17.166 16.293 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -5.076 -18.286 17.353 0.00 0.00 P H +ATOM 536 CG GLN 33 -5.696 -18.366 15.433 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -6.586 -18.956 15.753 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -5.896 -17.756 14.523 0.00 0.00 P H +ATOM 539 CD GLN 33 -4.686 -19.466 15.043 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -3.596 -19.696 15.463 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -5.176 -20.206 14.023 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -4.496 -20.826 13.633 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -6.116 -20.196 13.673 0.00 0.00 P H +ATOM 544 C GLN 33 -5.476 -15.996 18.453 0.00 0.00 P C +ATOM 545 O GLN 33 -5.096 -16.846 19.243 0.00 0.00 P O +ATOM 546 N GLY 34 -5.376 -14.686 18.773 0.00 0.00 P N +ATOM 547 HN GLY 34 -5.766 -13.976 18.203 0.00 0.00 P H +ATOM 548 CA GLY 34 -4.726 -14.236 19.973 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -4.466 -13.206 19.773 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -5.316 -14.496 20.843 0.00 0.00 P H +ATOM 551 C GLY 34 -3.306 -14.796 20.263 0.00 0.00 P C +ATOM 552 O GLY 34 -2.446 -14.536 19.493 0.00 0.00 P O +ATOM 553 N LEU 35 -3.136 -15.466 21.403 0.00 0.00 P N +ATOM 554 HN LEU 35 -3.936 -15.766 21.913 0.00 0.00 P H +ATOM 555 CA LEU 35 -1.926 -16.096 21.923 0.00 0.00 P C +ATOM 556 HA LEU 35 -1.326 -15.286 22.303 0.00 0.00 P H +ATOM 557 CB LEU 35 -2.336 -17.236 22.813 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -2.826 -18.076 22.263 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -1.446 -17.656 23.313 0.00 0.00 P H +ATOM 560 CG LEU 35 -3.486 -16.966 23.953 0.00 0.00 P C +ATOM 561 HG LEU 35 -4.446 -16.616 23.523 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -3.816 -18.206 24.723 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -4.576 -18.766 24.133 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -2.926 -18.866 24.783 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -4.106 -17.896 25.753 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -2.886 -15.896 24.953 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -2.616 -14.916 24.493 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -3.376 -15.806 25.943 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -1.966 -16.486 25.163 0.00 0.00 P H +ATOM 570 C LEU 35 -1.066 -16.756 20.793 0.00 0.00 P C +ATOM 571 O LEU 35 0.144 -16.616 20.733 0.00 0.00 P O +ATOM 572 N ALA 36 -1.716 -17.676 19.953 0.00 0.00 P N +ATOM 573 HN ALA 36 -2.686 -17.816 20.133 0.00 0.00 P H +ATOM 574 CA ALA 36 -1.246 -18.176 18.703 0.00 0.00 P C +ATOM 575 HA ALA 36 -2.026 -18.806 18.313 0.00 0.00 P H +ATOM 576 CB ALA 36 -1.156 -17.056 17.643 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -2.086 -16.446 17.603 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -0.416 -16.266 17.893 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -0.946 -17.536 16.663 0.00 0.00 P H +ATOM 580 C ALA 36 0.044 -18.946 18.893 0.00 0.00 P C +ATOM 581 O ALA 36 0.954 -18.876 18.053 0.00 0.00 P O +ATOM 582 N ILE 37 0.174 -19.736 20.023 0.00 0.00 P N +ATOM 583 HN ILE 37 -0.586 -19.786 20.673 0.00 0.00 P H +ATOM 584 CA ILE 37 1.334 -20.496 20.303 0.00 0.00 P C +ATOM 585 HA ILE 37 2.094 -20.146 19.623 0.00 0.00 P H +ATOM 586 CB ILE 37 1.874 -20.256 21.763 0.00 0.00 P C +ATOM 587 HB ILE 37 2.464 -21.146 22.063 0.00 0.00 P H +ATOM 588 CG2 ILE 37 2.814 -18.946 21.663 0.00 0.00 P C +ATOM 589 HG21 ILE 37 2.064 -18.126 21.653 0.00 0.00 P H +ATOM 590 HG22 ILE 37 3.484 -19.046 22.543 0.00 0.00 P H +ATOM 591 HG23 ILE 37 3.394 -18.936 20.713 0.00 0.00 P H +ATOM 592 CG1 ILE 37 0.684 -20.216 22.833 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -0.016 -19.386 22.613 0.00 0.00 P H +ATOM 594 HG12 ILE 37 0.004 -21.036 22.543 0.00 0.00 P H +ATOM 595 CD ILE 37 0.864 -20.206 24.353 0.00 0.00 P C +ATOM 596 HD1 ILE 37 0.044 -19.776 24.963 0.00 0.00 P H +ATOM 597 HD2 ILE 37 1.154 -21.256 24.603 0.00 0.00 P H +ATOM 598 HD3 ILE 37 1.794 -19.606 24.363 0.00 0.00 P H +ATOM 599 C ILE 37 1.204 -21.946 19.933 0.00 0.00 P C +ATOM 600 O ILE 37 2.034 -22.836 19.923 0.00 0.00 P O +ATOM 601 N GLU 38 -0.106 -22.166 19.643 0.00 0.00 P N +ATOM 602 HN GLU 38 -0.796 -21.506 19.923 0.00 0.00 P H +ATOM 603 CA GLU 38 -0.576 -23.486 19.103 0.00 0.00 P C +ATOM 604 HA GLU 38 0.084 -24.226 19.523 0.00 0.00 P H +ATOM 605 CB GLU 38 -2.106 -23.796 19.273 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -2.666 -23.036 18.703 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -2.366 -24.806 18.893 0.00 0.00 P H +ATOM 608 CG GLU 38 -2.426 -23.826 20.803 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -1.946 -24.776 21.103 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -1.976 -22.996 21.393 0.00 0.00 P H +ATOM 611 CD GLU 38 -3.856 -24.006 20.993 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -4.626 -23.086 20.713 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -4.286 -25.126 21.513 0.00 0.00 P O +ATOM 614 C GLU 38 -0.316 -23.476 17.613 0.00 0.00 P C +ATOM 615 O GLU 38 -0.746 -24.436 16.893 0.00 0.00 P O +ATOM 616 N ALA 39 0.234 -22.426 17.033 0.00 0.00 P N +ATOM 617 HN ALA 39 0.684 -21.706 17.563 0.00 0.00 P H +ATOM 618 CA ALA 39 0.484 -22.196 15.623 0.00 0.00 P C +ATOM 619 HA ALA 39 0.084 -22.936 14.943 0.00 0.00 P H +ATOM 620 CB ALA 39 -0.356 -20.996 15.103 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -0.166 -20.806 14.033 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -1.456 -21.056 15.263 0.00 0.00 P H +ATOM 623 HB3 ALA 39 0.214 -20.186 15.613 0.00 0.00 P H +ATOM 624 C ALA 39 1.864 -21.986 15.303 0.00 0.00 P C +ATOM 625 O ALA 39 2.764 -21.796 16.153 0.00 0.00 P O +ATOM 626 NT ALA 39 2.164 -22.016 13.933 0.00 0.00 P N +ATOM 627 HNT ALA 39 1.404 -22.306 13.343 0.00 0.00 P H +ATOM 628 CAT ALA 39 3.454 -22.236 13.393 0.00 0.00 P C +ATOM 629 HT1 ALA 39 3.604 -23.306 13.123 0.00 0.00 P H +ATOM 630 HT2 ALA 39 3.724 -21.636 12.493 0.00 0.00 P H +ATOM 631 HT3 ALA 39 4.214 -22.076 14.183 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 23.955 -21.368 -19.173 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 24.125 -22.098 -19.773 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 23.945 -20.588 -19.733 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 3.016 -23.638 -5.057 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 3.056 -22.698 -4.877 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 3.766 -23.808 -5.617 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 2.775 -4.771 -5.286 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 2.565 -4.811 -6.226 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 3.425 -5.461 -5.156 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -2.306 16.675 -11.947 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -1.756 15.955 -12.247 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -2.946 16.795 -12.647 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 7.722 -23.340 -12.601 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 8.412 -23.970 -12.791 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.912 -23.840 -12.651 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 9.545 20.877 24.725 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 10.005 21.637 25.075 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 9.175 21.177 23.895 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 -1.877 -5.227 11.428 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 -2.757 -5.117 11.088 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 -1.317 -4.827 10.768 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -22.096 15.862 18.678 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -22.916 15.932 18.188 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -21.426 16.172 18.068 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 11.670 -19.587 7.141 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 11.480 -19.747 6.211 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 11.200 -18.777 7.341 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 5.091 -25.190 -12.699 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 4.191 -25.030 -12.979 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 5.111 -24.890 -11.789 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 6.910 -18.748 -5.791 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 7.520 -18.018 -5.751 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 7.450 -19.518 -5.641 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 -10.424 22.097 22.705 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 -9.954 21.347 23.065 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 -10.614 21.847 21.805 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 4.426 17.107 -24.303 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 4.256 18.047 -24.383 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 3.926 16.707 -25.023 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 6.032 -17.283 -9.939 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 5.532 -16.683 -10.489 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 5.372 -17.703 -9.379 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 18.735 8.713 16.951 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 17.855 9.073 17.071 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 18.615 7.953 16.381 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 -15.895 5.973 15.208 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 -15.855 5.013 15.188 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 -15.955 6.223 14.288 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 15.272 16.517 9.541 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 14.462 16.787 9.971 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 15.902 17.207 9.761 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 13.182 15.665 6.517 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 13.052 16.575 6.787 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 13.262 15.705 5.567 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -19.668 11.507 18.395 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -19.068 12.217 18.155 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -20.038 11.217 17.555 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 17.895 -16.383 -7.419 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 17.065 -16.333 -6.949 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 17.655 -16.703 -8.289 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 13.316 -6.289 4.478 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 13.096 -5.409 4.198 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 13.156 -6.829 3.698 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 17.834 10.325 -21.329 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 17.484 11.215 -21.309 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 17.064 9.765 -21.189 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -2.019 17.155 -22.439 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -1.679 16.705 -23.219 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -2.319 16.455 -21.869 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 2.305 -12.793 -16.071 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 1.595 -12.683 -15.431 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 2.355 -11.953 -16.521 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 -23.993 -9.166 -21.011 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 -23.243 -8.566 -21.041 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 -24.303 -9.196 -21.911 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -3.034 -8.079 -11.946 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -3.284 -7.159 -11.926 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -2.604 -8.239 -11.106 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -9.228 -18.073 -20.635 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -9.708 -17.243 -20.675 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -9.768 -18.633 -20.075 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 -6.707 19.425 21.429 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 -6.267 20.215 21.119 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 -6.237 19.175 22.229 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -24.606 2.921 -18.423 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -25.396 2.661 -17.943 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -23.906 2.401 -18.023 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 5.190 6.185 -19.337 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 5.610 6.935 -18.927 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 5.420 6.245 -20.257 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 17.104 -14.137 -4.038 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 17.884 -13.877 -4.528 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 16.584 -13.337 -3.968 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 -10.083 -14.903 2.928 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 -9.553 -14.933 3.728 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 -10.513 -14.053 2.958 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 16.764 -24.477 -10.561 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 16.564 -25.107 -9.871 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 15.974 -23.937 -10.641 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 -8.545 -11.048 -16.741 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 -7.745 -10.608 -17.021 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 -8.375 -11.978 -16.901 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 9.999 16.685 -2.965 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 10.229 17.185 -3.755 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 9.039 16.695 -2.945 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -16.656 -14.667 -16.766 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -17.526 -14.277 -16.836 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -16.266 -14.567 -17.636 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 7.804 20.585 19.443 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 7.364 20.025 20.083 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 7.144 21.235 19.193 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 -9.945 -18.567 12.138 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 -10.405 -19.157 11.538 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 -9.795 -17.767 11.628 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -17.004 10.154 -9.681 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -17.724 10.774 -9.561 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -16.234 10.704 -9.821 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 5.164 -22.019 -6.459 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 5.394 -21.429 -5.739 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 5.944 -22.059 -6.999 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -22.387 21.830 0.865 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -21.817 21.510 1.565 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -22.827 21.050 0.545 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 -11.499 -3.190 1.928 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 -11.939 -2.720 2.638 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 -10.769 -3.630 2.348 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 -17.997 2.945 -17.332 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 -17.407 3.605 -16.982 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 -18.697 2.875 -16.672 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 -25.116 18.283 -5.629 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 -24.856 17.363 -5.659 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 -25.436 18.463 -6.519 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 23.155 -24.226 16.353 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 22.485 -24.396 17.013 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 23.985 -24.276 16.843 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 -24.429 -5.066 -1.955 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 -24.119 -5.206 -2.845 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 -25.339 -5.366 -1.965 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 1.994 -4.180 8.002 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 2.444 -3.480 7.542 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 1.854 -4.860 7.332 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -6.247 -4.383 23.921 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -6.127 -3.493 23.601 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -5.947 -4.363 24.831 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 23.040 10.147 3.541 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 22.850 9.377 4.081 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 23.470 9.797 2.761 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 15.465 8.293 -15.001 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 14.605 8.693 -15.121 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 15.845 8.753 -14.251 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 18.402 3.395 8.464 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 18.462 2.765 7.744 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 19.052 3.095 9.094 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 8.502 4.676 -11.869 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 9.312 4.856 -12.349 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 8.752 4.056 -11.189 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 -8.286 -3.516 -16.857 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 -7.616 -3.006 -17.317 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 -7.796 -4.116 -16.297 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 -20.996 -0.206 -24.967 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 -21.456 -0.796 -24.367 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 -20.326 0.214 -24.427 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 10.031 -13.309 -14.213 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 10.911 -12.939 -14.143 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 10.121 -14.209 -13.893 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -21.947 -7.105 1.764 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -21.917 -7.775 1.074 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -21.037 -6.995 2.034 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 14.792 11.096 -5.476 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.032 10.346 -6.026 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 14.722 11.826 -6.076 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 -10.337 -8.954 -7.855 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 -9.427 -9.244 -7.795 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 -10.647 -9.294 -8.695 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 17.045 1.816 -11.421 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 16.725 2.716 -11.441 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 17.835 1.836 -11.961 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -15.284 0.527 6.989 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -15.424 1.467 6.869 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -15.404 0.157 6.119 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 6.354 5.267 -21.637 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 7.274 5.017 -21.627 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 5.874 4.437 -21.567 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 -3.333 20.485 -3.313 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 -3.953 21.125 -2.983 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 -2.723 20.345 -2.583 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -3.981 22.857 -7.271 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -3.711 21.997 -6.961 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -4.941 22.797 -7.341 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -19.157 -19.163 -4.919 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -18.717 -18.693 -4.209 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -19.657 -19.853 -4.489 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -1.359 5.941 18.385 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -0.689 6.621 18.355 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -1.329 5.621 19.295 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 3.751 -9.218 -10.775 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 4.091 -8.488 -11.305 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 2.901 -9.408 -11.175 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -1.528 -25.576 0.673 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -2.468 -25.606 0.483 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -1.318 -24.646 0.723 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -18.064 -10.155 12.815 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -18.644 -10.915 12.785 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -18.664 -9.405 12.875 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -7.585 12.859 23.724 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -8.295 12.229 23.814 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -6.815 12.419 24.064 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -7.748 9.517 11.738 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -8.028 10.357 12.078 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -8.148 9.447 10.878 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -15.976 -1.699 -4.698 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -15.366 -1.249 -4.108 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -15.516 -1.729 -5.528 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 2.119 -2.755 22.534 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 1.319 -3.225 22.294 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 2.699 -2.865 21.784 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 13.944 7.726 23.894 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 14.514 7.936 23.154 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 13.484 6.926 23.624 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 -10.383 -17.338 -16.457 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 -10.043 -16.448 -16.457 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 -10.793 -17.438 -17.317 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 18.880 21.894 -2.421 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 18.120 21.404 -2.731 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 19.580 21.644 -3.031 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 1.409 21.645 14.153 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 1.949 21.495 14.933 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 1.249 22.585 14.143 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 23.396 -14.037 -1.240 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 22.816 -13.487 -0.710 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 23.906 -13.427 -1.760 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -16.631 -24.941 -0.289 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -17.141 -25.721 -0.509 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -17.211 -24.421 0.261 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -7.260 0.835 2.009 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -6.690 0.235 2.479 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -6.670 1.475 1.609 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 22.231 -13.750 -7.595 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 23.151 -14.000 -7.585 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 21.751 -14.580 -7.645 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 23.365 16.103 19.685 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 22.895 15.303 19.415 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 23.905 15.823 20.415 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -20.836 -0.735 8.728 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -21.256 -0.095 8.148 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -20.396 -1.345 8.128 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 3.204 -13.408 -6.157 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 4.014 -13.318 -5.657 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 3.114 -14.348 -6.297 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -5.904 -11.076 20.318 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -6.624 -11.626 20.608 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -6.314 -10.406 19.768 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 -13.666 -18.025 4.104 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 -13.146 -18.385 3.394 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 -13.996 -18.795 4.584 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -8.741 18.343 18.865 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -8.991 18.953 19.555 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -9.011 17.483 19.195 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 12.297 1.571 11.925 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 11.457 1.231 12.235 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 12.747 0.801 11.565 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -16.814 -19.775 6.237 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -17.214 -20.235 6.977 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -17.274 -18.935 6.197 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 23.480 3.904 13.277 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 24.300 3.544 13.617 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 22.830 3.234 13.477 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -3.966 7.795 -12.127 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -3.426 8.545 -12.347 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -4.336 7.505 -12.957 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 19.575 -7.624 12.337 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 19.265 -8.264 12.977 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 19.225 -7.934 11.497 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 7.422 3.325 -1.339 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 7.712 3.225 -2.249 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 6.972 2.505 -1.149 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 8.994 18.342 18.481 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 8.874 19.022 19.151 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 8.744 17.532 18.921 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 -16.626 -14.415 3.787 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 -15.756 -14.295 3.407 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 -17.146 -13.675 3.467 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 -13.636 12.487 -2.405 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 -12.756 12.127 -2.395 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 -13.916 12.447 -1.485 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 8.125 -7.653 5.355 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 7.455 -7.173 5.835 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 7.925 -8.573 5.515 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 9.755 16.824 -10.151 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 10.445 16.174 -10.311 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 9.345 16.954 -11.011 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 17.580 -12.454 25.145 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 17.560 -13.404 25.045 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 17.210 -12.114 24.335 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 24.905 -4.947 1.949 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 24.995 -4.837 0.999 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 25.235 -4.127 2.319 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 19.560 -24.506 7.105 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 19.240 -25.236 6.575 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 20.310 -24.866 7.585 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 3.361 21.955 -12.779 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 2.461 21.925 -12.449 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 3.321 22.535 -13.539 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -4.406 -8.458 -15.497 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -4.206 -7.538 -15.307 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -3.676 -8.948 -15.107 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 5.315 -16.381 -16.387 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 4.435 -16.681 -16.597 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 5.235 -15.441 -16.267 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 -18.654 -19.936 13.148 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 -17.724 -19.976 13.378 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 -19.054 -19.406 13.838 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -8.728 25.171 7.991 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -8.038 24.871 8.581 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -8.648 24.591 7.231 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -8.935 15.587 21.434 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -9.405 15.497 20.604 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -8.785 14.687 21.724 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 -5.928 -23.276 23.221 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 -5.348 -23.206 22.461 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 -5.358 -23.606 23.921 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -18.413 -1.714 4.974 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -18.313 -2.164 4.134 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -17.663 -1.124 5.034 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 -6.585 -11.865 -7.165 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 -6.715 -12.385 -7.955 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 -6.045 -12.415 -6.605 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.066 18.511 -3.065 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 13.946 18.911 -2.195 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.696 17.811 -2.925 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -13.884 -10.788 -4.551 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -13.834 -11.408 -5.271 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -13.704 -9.938 -4.961 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 -21.863 -19.344 -3.161 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 -22.243 -18.644 -3.701 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 -22.343 -20.134 -3.431 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 17.332 22.874 2.679 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 17.802 22.624 3.479 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 17.382 22.084 2.129 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 9.593 -16.866 -19.919 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 9.793 -17.746 -19.599 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 10.363 -16.616 -20.429 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 -8.183 -0.589 -19.359 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 -7.533 -0.389 -20.029 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 -8.413 -1.499 -19.509 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -12.024 -13.545 18.891 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -11.204 -13.475 19.391 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -12.214 -14.475 18.871 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -15.018 11.856 -8.676 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -14.348 12.516 -8.886 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -14.578 11.016 -8.796 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -24.038 -9.397 10.911 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -23.588 -9.897 10.231 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -23.498 -8.617 11.031 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -17.885 4.432 8.635 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -16.965 4.152 8.635 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -17.885 5.242 9.135 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -8.736 10.057 20.964 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -7.976 9.487 21.014 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -9.096 10.047 21.844 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 12.893 -14.799 5.013 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 13.713 -15.209 4.733 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 13.073 -14.459 5.883 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -15.856 17.395 -1.462 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -15.226 17.205 -0.772 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -16.606 16.835 -1.262 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 -19.184 -7.348 12.901 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 -18.844 -6.458 12.931 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 -19.524 -7.448 12.021 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 4.357 -18.488 -5.533 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 5.287 -18.718 -5.553 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 3.907 -19.338 -5.553 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 6.773 16.814 9.873 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 5.863 16.514 9.863 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 7.283 16.004 9.833 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 -22.923 -8.977 -5.841 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 -22.243 -9.647 -5.821 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 -23.743 -9.467 -5.831 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -15.273 -21.139 -10.897 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -15.053 -21.459 -11.777 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -16.073 -21.609 -10.657 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 -23.583 -25.090 24.049 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 -24.483 -25.350 24.229 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 -23.583 -24.140 24.149 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -19.844 -3.606 -22.033 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -19.374 -3.136 -22.733 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -19.174 -4.176 -21.643 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 13.007 0.103 -8.775 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 12.177 0.343 -8.375 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 13.437 -0.447 -8.115 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 23.505 -5.473 -19.171 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 23.815 -5.993 -18.431 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 24.225 -5.503 -19.801 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 13.283 13.630 -24.733 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 13.433 14.030 -23.873 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 14.133 13.280 -24.983 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 11.073 10.227 -9.413 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 10.613 11.067 -9.323 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 11.993 10.477 -9.543 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 15.670 -2.428 -8.255 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 15.210 -1.918 -7.595 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 15.430 -3.338 -8.065 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 -5.435 -12.537 -14.237 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -5.805 -12.377 -13.367 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -5.555 -11.707 -14.697 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 -3.779 19.564 -10.996 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 -4.669 19.924 -11.086 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 -3.909 18.674 -10.676 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 -22.704 -8.207 -0.521 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 -23.564 -7.787 -0.601 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 -22.734 -8.927 -1.151 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 -1.945 1.106 7.239 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 -2.005 1.936 6.769 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 -2.345 1.286 8.089 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 -25.173 -1.507 24.723 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 -24.933 -1.157 23.863 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 -25.023 -0.777 25.333 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 8.844 -0.535 15.487 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 9.604 0.025 15.307 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 8.194 0.065 15.847 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -9.145 -3.734 4.459 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -9.085 -4.354 5.189 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -8.435 -3.984 3.869 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 -23.069 -24.334 -2.703 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 -23.519 -23.994 -1.923 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 -23.299 -25.264 -2.723 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 18.304 -6.844 24.215 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 17.664 -7.144 23.565 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 18.154 -7.414 24.975 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -5.984 2.933 5.628 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -5.194 2.393 5.678 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -5.674 3.823 5.828 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 -13.516 24.371 -23.202 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 -13.826 23.651 -22.662 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 -13.836 25.161 -22.762 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 18.361 9.273 -16.491 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 18.491 9.203 -15.551 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 18.051 10.163 -16.631 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 3.783 10.434 1.279 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 2.993 10.864 1.599 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 3.883 9.664 1.839 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 -5.718 -17.649 -13.773 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 -5.298 -16.889 -14.173 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 -6.388 -17.919 -14.413 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -2.017 0.943 15.605 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -2.207 1.243 16.495 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -2.097 1.733 15.065 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 22.912 -2.579 15.994 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 22.642 -3.139 15.274 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 22.962 -1.699 15.614 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 5.766 20.924 8.804 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 4.916 20.924 9.254 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 6.396 20.684 9.474 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 14.371 -15.973 -22.961 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 13.481 -15.723 -22.721 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 14.911 -15.673 -22.231 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 14.902 11.727 -11.263 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 15.442 11.117 -11.773 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 15.442 11.947 -10.503 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -4.248 21.424 15.313 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -4.678 21.044 14.543 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -3.548 21.964 14.953 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -21.924 10.112 -15.929 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -21.044 9.752 -15.829 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -22.424 9.412 -16.359 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 10.615 -3.202 -2.369 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 11.035 -2.562 -1.789 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 11.325 -3.532 -2.919 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 23.612 12.153 -13.587 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 23.012 11.583 -14.067 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 24.382 12.223 -14.147 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 -25.385 -16.795 15.769 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 -24.915 -17.615 15.929 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 -24.725 -16.115 15.889 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 23.454 -18.845 21.667 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 23.304 -18.815 20.717 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 24.394 -19.045 21.747 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 15.040 -15.820 0.575 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 15.640 -16.490 0.255 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 14.770 -15.350 -0.215 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 -11.365 -6.687 -3.979 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 -12.185 -6.227 -4.159 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 -11.485 -7.557 -4.379 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 4.886 -8.171 24.585 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 5.646 -7.691 24.905 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 4.996 -8.211 23.635 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 -17.360 23.864 23.455 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 -17.650 24.584 22.895 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 -17.280 24.254 24.325 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 0.453 -13.099 -5.605 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 1.413 -13.189 -5.645 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 0.213 -12.749 -6.465 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 9.335 4.917 22.994 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 8.465 5.247 23.194 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 9.185 4.097 22.524 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 0.822 10.416 6.577 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 1.292 10.126 5.787 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 1.242 11.246 6.797 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -16.524 -9.425 10.355 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -16.784 -9.475 11.275 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.734 -9.975 10.295 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 -1.277 16.997 19.395 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 -2.217 16.827 19.475 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 -1.077 17.597 20.115 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 -16.807 -21.156 -5.519 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 -16.447 -20.376 -5.939 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 -17.417 -21.506 -6.159 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -12.326 10.123 4.349 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -12.306 11.063 4.509 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -11.456 9.913 4.019 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 -18.758 2.493 -14.501 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 -18.268 2.033 -13.821 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 -19.678 2.423 -14.221 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 20.987 -10.014 -21.017 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 21.227 -9.284 -20.447 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 20.037 -9.944 -21.117 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -2.437 22.382 -1.231 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.917 22.252 -0.431 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.217 23.272 -1.511 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 -0.243 4.887 5.091 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 -0.283 5.487 4.341 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 0.687 4.707 5.201 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 -3.626 -9.005 8.861 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 -3.636 -9.875 8.461 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 -3.416 -8.405 8.141 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 25.355 21.126 -22.425 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 25.625 20.396 -22.985 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 24.525 20.836 -22.045 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 0.746 16.794 -3.866 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 1.556 17.074 -3.436 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 0.706 15.854 -3.706 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 10.225 -17.019 7.141 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 11.165 -17.159 7.001 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 10.195 -16.249 7.711 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 -10.623 6.286 -19.689 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 -10.903 5.496 -19.229 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 -11.443 6.746 -19.879 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 20.352 -21.117 6.527 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 20.362 -20.267 6.087 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 21.022 -21.627 6.067 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 21.132 -19.309 -11.239 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 20.292 -18.849 -11.279 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.932 -20.129 -10.789 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 16.685 -10.267 4.741 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 16.555 -9.867 5.601 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 17.215 -9.627 4.261 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 3.274 13.411 -3.895 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 3.294 12.541 -3.495 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 4.134 13.511 -4.295 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 8.993 18.111 -12.499 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 8.383 17.421 -12.749 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 8.473 18.921 -12.569 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 5.025 15.084 -15.617 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 5.015 15.714 -14.887 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 5.935 14.794 -15.667 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 0.993 -20.347 3.476 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 1.343 -21.237 3.416 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 0.713 -20.137 2.586 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -10.048 -2.619 -2.775 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -10.838 -2.299 -2.335 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -9.438 -1.879 -2.725 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 -8.157 -10.176 15.061 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 -7.687 -10.246 15.891 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 -7.617 -9.606 14.521 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -9.585 7.773 -5.005 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -9.815 6.893 -5.285 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -9.795 7.793 -4.065 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 12.514 5.211 23.949 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 12.374 4.491 24.559 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 11.634 5.551 23.759 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 7.847 -3.563 -3.045 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 8.687 -3.283 -2.695 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 7.887 -4.523 -3.025 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -25.374 -25.446 -15.663 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -24.424 -25.436 -15.573 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -25.554 -24.726 -16.283 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 2.674 16.155 7.751 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 2.304 15.575 8.411 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 2.834 16.975 8.211 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 5.435 8.206 2.754 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 5.025 7.346 2.724 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 6.345 8.036 2.974 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 9.304 22.493 6.939 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 9.234 23.213 7.559 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 10.174 22.123 7.089 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -8.784 6.187 -12.249 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -8.114 6.857 -12.379 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -8.724 5.637 -13.029 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 6.314 -20.284 20.089 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 6.904 -20.594 19.399 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 5.914 -19.494 19.729 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 1.062 2.304 -1.781 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 0.752 2.274 -2.691 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 1.942 2.694 -1.841 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -12.437 -16.706 7.107 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -13.027 -16.166 6.587 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -12.997 -17.406 7.457 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 -24.387 -19.735 18.017 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 -23.667 -20.365 17.957 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 -25.107 -20.225 18.417 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -13.553 -3.263 -17.179 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -14.463 -2.983 -17.059 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -13.443 -3.993 -16.579 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 11.475 17.743 -20.969 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 11.415 18.693 -21.059 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 11.935 17.463 -21.759 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -18.405 -16.546 -24.529 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -18.935 -16.696 -25.319 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -17.505 -16.516 -24.849 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 17.945 -5.314 -22.221 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 18.655 -5.544 -21.631 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 17.315 -6.034 -22.131 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 -13.036 22.255 -21.627 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 -13.186 21.365 -21.937 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 -12.276 22.175 -21.047 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -21.005 11.453 6.985 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -21.015 12.363 6.685 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -21.485 11.463 7.805 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 15.675 -3.620 -0.161 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 15.145 -3.940 0.569 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 16.375 -4.270 -0.251 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 12.393 -21.747 22.128 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 12.243 -21.697 23.068 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 11.813 -22.447 21.828 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 -22.876 -25.416 -6.913 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 -23.626 -25.406 -7.503 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 -22.446 -24.576 -7.063 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 3.014 12.180 -24.709 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.844 12.540 -25.039 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 3.144 12.080 -23.769 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 23.891 -7.637 -17.299 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 23.941 -8.197 -16.529 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 24.311 -8.137 -17.989 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 19.854 -0.107 -17.745 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 19.404 -0.577 -18.445 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 20.324 -0.787 -17.265 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 -23.426 4.202 1.034 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 -23.916 4.972 0.754 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 -22.586 4.272 0.594 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 -20.657 -2.885 -17.773 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 -21.517 -2.565 -17.493 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 -20.397 -2.285 -18.473 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 24.675 16.576 13.045 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 25.025 17.336 13.525 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 25.375 16.346 12.435 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -0.787 -6.586 -0.517 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -0.007 -6.066 -0.337 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -1.307 -6.046 -1.117 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 19.382 -14.630 -10.783 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 18.662 -15.120 -11.193 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 20.062 -15.280 -10.623 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 -10.754 1.612 15.191 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 -10.734 2.502 14.851 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 -10.084 1.142 14.691 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 12.393 -2.596 -0.051 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 11.913 -2.706 0.779 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 13.183 -3.126 0.049 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 -13.573 2.711 5.224 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 -13.103 2.101 4.654 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 -12.923 3.021 5.845 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 -19.674 -12.347 -20.905 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 -20.464 -12.287 -21.435 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 -19.814 -11.707 -20.205 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 7.475 -6.737 24.755 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 7.365 -6.137 24.015 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 7.935 -6.227 25.415 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 20.974 20.947 -19.622 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 20.254 20.797 -19.002 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 20.544 21.137 -20.452 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 18.944 -19.469 -4.797 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 19.804 -19.099 -4.987 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 18.354 -18.719 -4.817 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 24.534 12.965 15.071 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 24.734 12.275 14.441 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 25.394 13.245 15.391 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 -4.294 -5.044 -6.237 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 -4.044 -5.114 -7.167 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 -3.464 -5.004 -5.767 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 12.765 -20.227 -21.179 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 12.515 -19.647 -21.889 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 12.045 -20.187 -20.559 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 -13.897 21.624 -0.279 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 -13.407 22.404 0.001 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 -14.717 21.674 0.201 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -21.284 6.514 -4.165 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -21.034 6.424 -5.085 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -20.784 7.274 -3.855 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 -4.798 -10.106 -13.106 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 -4.318 -9.556 -12.496 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 -5.248 -9.486 -13.686 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 10.637 10.249 -25.017 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 10.727 10.929 -24.347 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 9.737 10.339 -25.327 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 -16.835 18.789 11.035 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 -16.455 18.799 10.155 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 -17.475 18.089 11.015 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 5.125 13.819 9.584 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 5.105 14.569 10.184 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 5.525 14.159 8.784 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 -8.246 -10.289 5.828 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 -7.436 -10.709 5.538 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 -8.706 -10.069 5.018 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -10.116 12.273 6.667 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -9.556 11.503 6.707 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -9.876 12.703 5.847 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 -21.907 12.282 -14.059 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 -21.727 12.742 -14.879 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 -21.717 11.362 -14.259 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -20.145 -0.568 -11.289 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -20.935 -0.858 -11.729 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -19.485 -0.518 -11.979 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 -22.094 15.694 -21.629 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 -21.874 16.494 -22.099 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 -21.404 15.074 -21.849 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -12.947 3.192 -8.176 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -13.017 4.142 -8.296 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.327 3.032 -7.316 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 14.103 -16.714 -19.529 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 14.083 -16.194 -18.719 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 14.133 -17.624 -19.229 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 -17.168 15.332 -13.669 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 -17.778 16.062 -13.659 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 -16.338 15.712 -13.949 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 8.654 -24.263 -8.263 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 8.194 -24.583 -7.483 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 8.114 -24.543 -8.993 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 4.603 -19.306 -17.512 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 4.813 -19.206 -16.582 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 3.723 -18.946 -17.602 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -1.629 23.305 -5.776 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -2.439 23.355 -5.266 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -1.889 23.575 -6.656 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 -18.315 -20.095 19.293 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 -18.925 -19.545 19.793 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 -18.755 -20.945 19.233 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 24.781 16.642 -15.285 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 25.151 16.022 -15.905 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 23.931 16.282 -15.055 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -11.706 -5.845 -8.759 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -11.896 -4.975 -8.429 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -12.216 -6.435 -8.199 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 4.304 23.402 -5.312 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 4.164 24.332 -5.492 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 3.424 23.062 -5.152 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 2.404 -15.094 18.661 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 2.034 -15.714 18.031 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 1.914 -15.244 19.461 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 1.575 -1.093 -21.669 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 1.205 -0.403 -21.119 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 2.115 -1.613 -21.079 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 -16.860 -8.654 -11.161 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 -16.990 -9.594 -11.191 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 -16.180 -8.484 -11.811 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -15.143 17.804 -24.695 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -14.593 18.434 -25.165 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -14.933 17.954 -23.765 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 10.092 -21.699 -14.551 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 9.202 -21.569 -14.221 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 10.032 -21.559 -15.491 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 7.592 8.322 -6.483 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 7.372 8.682 -5.623 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 8.422 8.732 -6.713 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 0.753 -8.705 -2.462 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 0.293 -8.345 -1.702 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 1.673 -8.745 -2.182 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 7.973 -12.621 -19.805 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 7.203 -12.911 -20.295 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 8.583 -13.351 -19.875 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 6.463 23.012 -14.493 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 6.563 23.832 -14.003 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 5.663 23.142 -15.003 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -9.948 -2.016 -11.421 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -9.218 -2.456 -11.001 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -10.178 -1.296 -10.831 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 -20.734 -15.349 -10.449 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 -20.274 -15.949 -11.049 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 -21.604 -15.249 -10.839 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 -9.553 3.783 -0.383 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 -10.393 4.243 -0.343 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 -9.663 3.133 -1.083 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 5.673 -12.966 -0.145 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 5.013 -12.306 -0.355 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 5.173 -13.686 0.255 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 4.535 23.986 2.525 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 5.145 23.786 3.235 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 3.825 24.476 2.945 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 5.994 16.762 4.081 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 6.044 16.202 3.311 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 5.364 16.332 4.661 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -1.267 -19.160 -20.579 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -1.017 -18.860 -19.709 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -2.217 -19.040 -20.599 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -4.167 17.714 -5.387 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -3.677 17.584 -4.577 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -5.077 17.564 -5.137 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 -3.678 20.218 5.181 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 -3.958 19.418 5.631 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 -3.078 20.638 5.801 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 7.103 -0.573 0.803 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 6.773 -0.083 1.553 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 7.653 -1.263 1.173 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 19.813 21.397 10.161 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 20.383 20.897 10.751 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 20.133 21.187 9.291 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 -7.726 -23.309 -11.609 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 -7.506 -23.339 -10.679 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 -6.996 -23.759 -12.039 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 7.359 8.977 11.403 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 6.469 8.737 11.143 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 7.909 8.737 10.653 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 24.322 5.242 -9.883 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 23.962 5.792 -9.183 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 24.652 4.462 -9.433 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 -6.887 -1.025 -0.667 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 -7.127 -0.455 0.073 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 -7.517 -0.805 -1.347 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 12.224 -20.509 10.335 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 13.024 -20.509 10.865 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 12.524 -20.549 9.435 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 -17.935 -24.384 2.405 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 -18.175 -25.244 2.755 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 -17.045 -24.234 2.735 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 -0.427 3.155 -17.421 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -1.267 2.845 -17.071 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 -0.677 3.795 -18.091 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 24.965 21.893 24.765 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 25.135 21.843 25.705 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 24.215 21.303 24.625 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 20.401 22.833 -10.785 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 19.731 22.743 -11.455 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 21.071 23.383 -11.205 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -22.897 -22.968 -23.793 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -22.117 -22.568 -23.423 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -23.617 -22.428 -23.473 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 -16.235 21.035 7.108 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 -16.115 20.095 7.228 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 -16.755 21.305 7.868 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.928 2.377 18.199 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -10.488 2.367 17.419 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -10.248 3.117 18.709 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 18.677 0.503 2.385 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 18.207 -0.267 2.075 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 18.557 0.483 3.335 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 16.585 -22.910 22.201 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 17.055 -23.720 22.381 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 17.095 -22.220 22.631 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 -10.106 -14.666 22.644 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 -9.656 -15.186 21.974 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 -9.576 -13.866 22.714 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -25.271 -4.549 7.643 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -25.681 -3.939 7.033 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -24.361 -4.259 7.703 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 3.625 16.123 -11.709 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 4.035 15.383 -11.259 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 2.845 15.743 -12.119 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 -20.267 -3.188 -5.401 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 -19.627 -3.038 -4.701 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 -21.057 -3.468 -4.951 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -0.458 14.384 -13.402 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -0.198 14.394 -14.322 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -0.648 13.454 -13.212 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 -7.790 -25.197 4.808 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 -7.620 -24.317 5.148 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 -6.930 -25.587 4.688 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -16.377 -10.427 23.629 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -16.597 -10.517 24.559 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -16.057 -9.527 23.549 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 1.494 -18.297 -11.459 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 1.404 -18.507 -10.529 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 2.204 -17.657 -11.489 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 -5.883 14.377 -19.907 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 -5.533 15.127 -19.427 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 -5.973 13.697 -19.247 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -23.588 -9.074 17.321 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -23.068 -9.834 17.591 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -23.078 -8.664 16.631 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 2.596 -9.468 11.971 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 2.616 -9.838 11.091 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 1.846 -8.888 11.981 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 8.655 7.686 -11.879 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 9.605 7.756 -11.859 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 8.415 7.896 -12.779 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 18.252 8.721 -10.233 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 18.912 8.811 -10.923 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 18.622 8.101 -9.613 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 -9.704 -24.845 -17.283 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 -9.904 -23.945 -17.043 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 -9.174 -25.185 -16.563 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 2.091 -10.832 -13.159 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 1.171 -10.562 -13.219 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 2.531 -10.352 -13.859 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 -23.777 5.434 -24.187 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 -22.907 5.334 -24.577 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 -23.747 6.294 -23.767 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 20.267 0.754 -23.008 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 20.927 1.354 -23.358 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 19.917 0.304 -23.768 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 -15.014 24.446 -7.377 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 -14.464 23.696 -7.187 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 -15.714 24.106 -7.927 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 -3.045 18.721 13.229 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 -2.145 18.751 13.579 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 -3.565 18.371 13.949 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 -7.895 -20.807 4.553 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 -7.635 -20.747 3.633 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 -7.095 -21.047 5.013 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 7.246 -20.219 -18.067 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 6.416 -20.059 -18.507 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 7.906 -19.859 -18.657 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -3.004 -5.599 -2.407 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -3.174 -4.859 -2.997 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -3.504 -5.399 -1.617 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -11.365 11.755 -15.061 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -11.245 12.655 -14.771 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -11.085 11.755 -15.981 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 13.153 -4.876 -23.317 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 13.533 -4.876 -24.197 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 13.443 -5.706 -22.937 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -11.355 20.973 -15.891 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -12.105 21.243 -15.371 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -10.845 21.773 -16.021 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 16.445 13.296 -12.972 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 16.175 14.206 -13.132 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 15.715 12.906 -12.492 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -6.797 -12.175 -19.027 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -6.117 -12.225 -19.697 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -7.617 -12.155 -19.517 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 14.326 -3.096 -21.673 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 15.266 -3.256 -21.643 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 13.956 -3.876 -22.083 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -1.604 19.111 21.674 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -1.544 18.631 22.504 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -2.274 19.771 21.824 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 11.453 23.462 13.277 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 10.793 23.832 12.697 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 11.773 24.202 13.797 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.416 18.426 -1.631 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.636 17.736 -1.011 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -19.416 17.986 -2.481 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 2.042 -3.905 5.394 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 1.132 -4.185 5.234 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 2.222 -3.265 4.704 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -20.754 -20.637 5.367 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -19.884 -20.597 4.957 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -21.364 -20.557 4.637 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 19.924 -0.518 15.913 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 20.734 -0.768 16.363 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 19.964 0.432 15.863 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -15.663 1.873 1.385 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -15.253 2.483 0.775 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -15.423 1.003 1.035 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -1.853 3.423 12.563 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -2.073 3.263 13.483 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -1.833 4.383 12.483 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 2.572 0.470 -10.622 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 3.292 1.030 -10.322 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 1.782 0.980 -10.432 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 -1.685 -6.376 -19.649 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 -1.835 -6.466 -20.589 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 -2.455 -6.776 -19.239 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 -24.231 -23.286 -17.649 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -25.131 -23.406 -17.949 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 -24.291 -22.656 -16.939 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -10.308 17.253 2.080 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -9.808 17.323 2.890 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -10.848 18.043 2.050 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 -19.113 -4.878 -8.012 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 -19.743 -4.408 -7.462 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 -19.363 -4.658 -8.912 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 25.084 -1.563 -9.587 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 24.614 -0.993 -10.187 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 24.694 -2.423 -9.717 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.467 -17.955 -20.573 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -18.287 -17.465 -20.573 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.257 -18.055 -19.643 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -2.955 19.516 -23.929 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -2.605 18.626 -23.949 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -3.815 19.426 -23.519 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -16.440 -16.854 5.761 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -15.600 -17.114 5.381 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -16.250 -16.044 6.241 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 -20.833 -15.753 -23.591 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 -20.043 -16.023 -23.111 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 -20.593 -15.863 -24.511 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 18.855 -23.885 1.985 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 19.165 -23.355 2.715 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 19.375 -24.685 2.035 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 -2.776 -22.559 4.285 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 -1.936 -22.929 4.565 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 -3.416 -23.219 4.545 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 -0.808 4.173 -7.241 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 -1.018 3.413 -7.771 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 0.142 4.283 -7.331 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -22.475 -3.384 -3.071 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -23.245 -3.734 -2.631 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -21.755 -3.934 -2.751 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 -21.283 1.697 -17.683 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 -20.603 1.957 -18.303 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 -21.633 0.877 -18.033 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 -14.547 9.085 8.408 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 -15.177 9.455 7.778 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 -13.687 9.275 8.028 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 0.625 17.006 17.493 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 -0.025 17.296 18.133 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 0.385 16.106 17.293 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.343 -11.075 17.657 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 1.923 -10.345 17.427 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 0.583 -10.955 17.087 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -14.240 8.995 20.221 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -14.770 8.795 19.451 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -13.810 8.175 20.441 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -23.445 10.024 8.749 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -23.325 9.194 8.289 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -24.025 10.534 8.179 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 12.809 11.162 13.263 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 12.159 11.842 13.443 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 13.569 11.632 12.923 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 5.937 22.175 23.179 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 5.947 22.765 23.929 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 5.387 22.615 22.539 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 23.933 25.077 13.651 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 23.143 25.397 13.221 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 23.703 25.067 14.581 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 4.131 -22.155 -9.643 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 3.871 -21.855 -8.773 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 5.061 -21.945 -9.703 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 -20.543 12.461 20.941 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 -20.163 12.261 20.081 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 -20.473 11.631 21.431 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 19.904 -22.118 -0.557 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 19.414 -22.808 -0.117 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 19.824 -21.368 0.033 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -2.548 12.126 7.999 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -2.548 12.376 8.919 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -3.268 11.496 7.919 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 -5.924 -11.575 -24.567 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 -5.524 -11.285 -25.387 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 -5.214 -11.995 -24.087 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 -8.598 -4.816 -1.872 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 -9.128 -4.086 -2.202 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 -8.648 -5.476 -2.562 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 8.214 -14.286 23.463 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 8.964 -14.776 23.123 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 8.564 -13.826 24.223 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 11.922 14.102 1.093 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 12.202 14.952 1.403 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 11.992 13.522 1.853 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 20.173 -20.157 10.483 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 20.653 -20.587 11.183 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 20.243 -20.757 9.743 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 17.356 -8.304 -13.387 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 16.576 -7.944 -12.967 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 17.136 -9.224 -13.547 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 -18.375 5.645 -20.163 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 -18.955 5.575 -19.403 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 -18.945 5.965 -20.863 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.251 -14.954 6.845 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -22.771 -14.274 7.265 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -22.111 -15.604 7.525 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 -19.319 -22.621 -6.536 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 -19.549 -22.001 -5.836 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 -19.789 -23.421 -6.316 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 12.431 2.236 7.933 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 13.001 1.516 7.643 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 11.611 1.806 8.183 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -6.468 18.802 17.501 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -6.648 18.942 16.571 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -7.288 18.472 17.861 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 12.906 -18.967 18.463 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 13.336 -19.537 17.823 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 13.576 -18.797 19.123 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 4.353 -25.009 -7.373 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 4.223 -25.309 -8.273 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 4.943 -24.259 -7.453 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 6.480 -16.198 -23.675 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 7.150 -15.948 -24.315 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 6.270 -17.108 -23.895 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 -2.949 23.207 -11.259 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 -3.119 24.147 -11.219 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 -3.579 22.877 -11.909 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 -21.635 -21.063 13.335 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 -20.845 -20.543 13.475 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 -21.735 -21.563 14.145 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 19.234 -4.728 -10.619 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 18.794 -4.028 -10.149 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 19.854 -4.278 -11.199 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 5.515 -13.926 -4.696 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 6.445 -13.896 -4.896 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 5.435 -14.596 -4.016 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 20.399 11.513 2.531 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 20.769 12.393 2.601 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 21.049 10.943 2.931 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -18.214 -1.198 14.737 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -18.994 -1.698 14.517 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -17.504 -1.628 14.257 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -17.523 15.864 14.705 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -17.093 15.014 14.675 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -18.293 15.724 15.255 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 13.833 17.524 -6.709 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 14.123 18.314 -6.239 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 14.273 17.574 -7.559 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 12.022 -4.597 -13.279 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 11.812 -4.917 -12.399 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 11.912 -5.367 -13.839 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 16.642 -16.698 16.701 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.982 -17.588 16.841 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 17.362 -16.238 16.271 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 25.044 0.525 8.405 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 25.244 1.165 9.085 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 24.754 -0.255 8.875 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 -18.957 -21.527 -2.707 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 -18.187 -21.807 -3.207 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 -18.987 -20.577 -2.827 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 14.672 -16.087 3.449 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 15.302 -15.417 3.689 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 14.762 -16.177 2.499 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -22.485 7.604 -12.913 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -21.685 8.044 -12.643 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -22.795 7.164 -12.123 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 16.624 -16.824 -21.171 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 16.614 -17.054 -20.241 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 17.224 -17.444 -21.571 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 12.697 -13.216 -7.607 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 13.227 -13.306 -8.407 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 12.377 -14.106 -7.447 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 18.585 9.667 3.871 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 18.295 10.137 4.651 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 19.295 10.197 3.521 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 16.312 -7.819 -24.013 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 15.822 -7.669 -23.203 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 16.432 -8.759 -24.063 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -17.034 21.647 -17.975 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -16.244 21.627 -18.525 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -17.534 20.877 -18.255 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 7.441 -15.307 -19.539 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 7.361 -15.227 -18.589 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 8.151 -15.937 -19.669 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 -12.277 18.674 20.233 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 -12.087 19.524 20.643 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 -12.187 18.834 19.293 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 12.450 -0.677 -4.379 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 11.620 -0.407 -4.779 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 12.390 -0.367 -3.479 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 14.106 7.506 -1.781 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 13.456 8.046 -1.331 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 14.076 7.816 -2.681 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -16.548 4.622 22.978 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -16.878 4.712 22.078 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -16.488 3.682 23.118 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 -18.959 5.546 19.939 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 -18.059 5.346 19.649 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 -19.439 5.706 19.129 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -20.541 1.772 10.721 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -20.471 0.972 10.201 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -19.641 2.052 10.851 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 13.724 22.832 17.347 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 14.244 23.502 16.907 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 14.134 22.002 17.097 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 24.436 -8.120 6.368 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 24.456 -7.300 5.868 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 23.606 -8.100 6.838 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -7.002 10.007 -9.929 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -6.101 10.137 -9.649 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -7.531 10.247 -9.169 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 7.183 0.694 20.033 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 8.003 0.264 19.763 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 7.453 1.434 20.563 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 -10.926 -9.818 0.775 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 -11.596 -10.218 1.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 -10.426 -9.268 1.385 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -15.525 7.996 -15.122 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -15.115 8.766 -14.722 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -16.465 8.186 -15.092 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 21.026 5.312 -2.271 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 20.166 5.152 -1.891 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 21.536 5.692 -1.551 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 21.647 6.956 2.611 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 20.757 6.596 2.591 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 21.697 7.396 3.461 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -20.995 23.711 2.325 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -21.685 23.541 1.685 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -20.185 23.651 1.825 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 -15.789 -15.917 24.554 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 -14.919 -15.937 24.154 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 -16.119 -15.037 24.364 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 10.965 -20.037 -10.071 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 10.705 -20.867 -9.671 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 10.275 -19.427 -9.811 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 24.954 0.174 -22.751 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 24.214 0.404 -22.191 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 25.724 0.424 -22.241 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 -18.010 -10.887 -14.763 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 -18.650 -11.537 -14.483 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 -18.520 -10.117 -14.993 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 -10.961 8.882 -17.891 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 -10.371 9.612 -17.671 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 -10.861 8.262 -17.161 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 6.789 21.965 -5.051 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 6.039 22.525 -4.831 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.549 22.425 -4.701 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 -14.626 16.432 -14.155 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 -14.396 15.782 -14.825 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 -13.826 16.522 -13.635 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 -13.321 6.623 11.169 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 -13.141 7.543 11.019 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 -12.791 6.403 11.939 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 7.734 8.305 8.553 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 8.404 7.755 8.153 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 7.944 9.195 8.263 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 2.459 4.553 1.887 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 2.889 4.993 1.157 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 3.119 3.943 2.227 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 13.433 12.280 3.435 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 14.073 11.850 4.005 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 13.663 13.210 3.475 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 -11.588 23.107 -1.677 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 -12.218 22.467 -1.337 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 -11.898 23.947 -1.347 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -18.515 -9.827 17.793 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -19.265 -10.277 18.193 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -18.415 -9.027 18.313 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.465 20.147 10.783 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 14.295 20.947 11.273 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 15.415 20.037 10.843 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 24.413 -9.966 14.693 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 25.223 -9.576 15.013 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 24.313 -9.626 13.803 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 15.667 -12.715 -14.635 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 15.977 -11.925 -14.205 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 15.557 -12.455 -15.555 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 22.887 -20.928 -15.253 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 22.827 -19.978 -15.383 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 22.597 -21.308 -16.083 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -16.617 -23.566 -3.925 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -16.697 -23.056 -4.725 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -15.667 -23.716 -3.825 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 -9.494 -15.374 9.601 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 -9.544 -16.324 9.491 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 -8.944 -15.084 8.871 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 19.514 -6.214 2.107 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 18.894 -5.504 2.247 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 19.794 -6.114 1.197 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 1.516 -24.537 11.671 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 0.846 -24.827 11.051 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 2.336 -24.877 11.321 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 -19.927 9.459 20.383 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 -20.117 10.029 19.643 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 -19.927 8.569 20.013 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 -16.639 7.706 -3.193 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 -16.489 8.496 -2.673 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 -17.269 7.196 -2.683 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -20.636 14.717 -8.211 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -21.006 15.577 -8.011 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -20.316 14.397 -7.371 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -5.557 23.625 4.571 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -4.917 24.295 4.331 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -5.077 22.805 4.491 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 21.615 -19.653 18.134 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 20.825 -20.193 18.004 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 21.935 -19.493 17.244 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 -8.728 -19.866 6.953 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 -9.028 -19.256 6.283 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 -8.778 -20.726 6.523 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 15.641 1.371 13.819 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 16.301 1.031 13.219 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 14.831 0.931 13.549 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 11.061 7.704 18.629 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 11.801 8.134 18.199 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 10.651 8.394 19.149 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 13.945 8.215 -9.242 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 14.755 8.675 -9.042 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 13.375 8.385 -8.492 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -5.894 7.240 4.014 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -5.924 8.120 3.634 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -5.344 6.740 3.404 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 22.452 4.402 -7.401 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 22.062 4.822 -6.641 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 22.752 3.552 -7.081 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 11.469 20.446 -15.387 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 11.609 21.156 -14.757 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 11.309 19.676 -14.837 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 18.142 -8.311 -4.927 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 18.492 -7.471 -5.217 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 17.912 -8.771 -5.737 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 -10.986 0.764 -1.219 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 -11.756 1.194 -1.599 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 -10.946 1.094 -0.319 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 14.842 13.916 -17.176 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 14.912 13.666 -18.096 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 14.292 14.706 -17.196 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -22.023 -19.620 19.639 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -22.443 -20.420 19.329 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -22.293 -18.950 18.999 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 -7.398 2.537 -8.262 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 -7.818 1.957 -7.622 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 -7.778 3.407 -8.082 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 21.525 18.155 1.983 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 21.195 18.915 1.513 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 20.925 18.055 2.723 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -13.687 13.340 9.759 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -14.527 12.980 10.019 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -13.687 13.310 8.809 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 7.912 19.937 -6.381 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 7.402 20.007 -7.191 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 7.802 20.797 -5.961 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 -20.537 15.033 15.451 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 -20.947 15.793 15.031 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 -20.467 14.383 14.751 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -18.509 15.444 -20.181 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -19.199 15.334 -20.831 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -18.969 15.494 -19.341 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -5.356 -11.725 -3.931 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -4.806 -10.955 -3.851 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -5.356 -11.935 -4.871 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 -17.557 24.505 -21.503 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 -18.287 25.125 -21.433 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 -17.667 23.925 -20.753 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 14.783 -20.846 0.645 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 14.113 -20.186 0.845 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 14.293 -21.586 0.295 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -8.221 -6.199 18.398 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -9.101 -5.949 18.138 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -8.121 -5.859 19.278 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 4.945 19.776 25.111 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 5.335 20.246 25.851 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 5.385 20.116 24.341 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 6.662 4.423 18.843 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 7.342 5.093 18.813 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 6.512 4.193 17.923 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 -19.721 13.491 -0.657 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 -19.511 13.211 -1.557 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 -20.001 12.681 -0.227 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 6.452 7.240 -10.033 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 7.062 7.240 -10.773 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 6.872 6.700 -9.373 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 20.832 -9.886 13.716 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 21.672 -10.276 13.956 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 20.572 -10.346 12.926 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -20.616 -0.818 -19.613 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -20.276 0.082 -19.643 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -20.136 -1.278 -20.303 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 5.801 -1.300 -2.495 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 6.631 -1.120 -2.056 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 5.971 -2.090 -3.006 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 1.524 0.753 1.965 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 0.824 0.793 2.615 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 1.214 1.293 1.245 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 7.461 -15.956 21.274 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 6.551 -15.796 21.024 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 7.661 -15.266 21.904 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 -10.037 0.654 10.165 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 -9.277 0.774 9.605 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 -10.787 0.774 9.575 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 21.386 19.177 -14.559 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 21.566 18.287 -14.269 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 22.246 19.537 -14.759 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -8.507 -3.704 -22.895 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -7.887 -3.324 -23.525 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -8.597 -4.614 -23.165 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 3.022 13.645 14.411 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 3.512 13.715 15.231 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 2.242 14.175 14.551 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 19.796 -23.597 -19.561 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 20.146 -23.937 -20.391 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 18.846 -23.587 -19.691 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 -17.930 13.491 1.711 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 -17.900 12.551 1.871 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 -18.520 13.601 0.961 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -12.014 -0.141 -22.479 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -11.994 -1.061 -22.199 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -11.854 0.359 -21.679 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -4.623 1.981 -6.199 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -3.813 2.481 -6.339 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -5.193 2.251 -6.919 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 24.093 1.414 -6.505 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 24.213 1.634 -7.435 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 23.163 1.194 -6.435 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 15.552 11.077 5.369 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 15.102 10.267 5.179 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 16.212 10.837 6.019 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -24.053 -13.376 3.591 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -23.993 -12.486 3.941 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -24.993 -13.516 3.471 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -14.351 13.253 -19.841 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -14.611 13.883 -19.171 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -14.081 12.473 -19.351 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 9.945 15.092 -6.597 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 9.075 15.012 -6.197 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 10.515 14.562 -6.027 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 13.670 1.995 -11.329 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 13.820 1.595 -12.179 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 13.690 1.265 -10.709 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 23.014 -5.953 -22.349 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 23.494 -5.213 -21.979 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 23.214 -5.923 -23.289 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 15.272 2.533 9.181 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 15.292 3.153 8.461 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 16.162 2.173 9.211 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 -19.233 -14.645 7.884 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 -18.533 -15.115 7.434 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 -20.033 -15.035 7.544 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 14.385 -11.088 -7.809 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 13.585 -11.618 -7.789 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 14.875 -11.428 -8.549 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -10.755 8.833 -15.059 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -11.235 9.673 -15.059 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -11.385 8.203 -14.719 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 5.993 -3.876 17.661 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 5.713 -3.316 16.931 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 6.583 -4.516 17.251 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 2.755 2.524 17.075 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 1.825 2.334 17.195 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 2.915 3.294 17.615 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -1.337 13.405 10.595 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -1.767 12.725 11.125 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -0.477 13.035 10.405 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -12.146 -18.985 13.788 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -11.196 -19.005 13.808 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -12.366 -18.405 13.048 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -24.445 4.471 -7.767 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -24.035 5.341 -7.797 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -24.255 4.151 -6.887 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 16.235 -4.325 -2.721 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 15.605 -4.015 -3.371 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 16.105 -3.755 -1.971 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 -10.094 22.233 -9.961 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 -10.954 22.103 -10.361 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 -10.094 23.163 -9.711 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 -23.376 -21.655 -3.381 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 -24.316 -21.815 -3.471 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 -22.986 -22.535 -3.381 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -14.125 -21.010 5.165 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -13.655 -21.840 5.095 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -14.335 -20.930 6.095 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -22.534 -7.188 -12.729 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -23.434 -7.398 -12.959 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -22.274 -7.868 -12.109 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 10.681 22.183 19.471 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 11.051 22.293 18.591 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 11.001 22.953 19.961 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 1.934 21.276 -9.971 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 2.864 21.356 -10.181 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 1.614 22.176 -9.941 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 2.204 -9.048 -22.107 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 3.164 -9.018 -22.167 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 2.014 -8.768 -21.217 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 23.752 18.888 18.891 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 23.962 17.948 18.891 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 22.832 18.918 19.141 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 19.874 8.606 13.655 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 19.484 8.256 14.455 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 20.464 7.916 13.355 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 -17.785 -14.358 10.178 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 -18.445 -14.178 10.848 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 -18.295 -14.468 9.368 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 5.805 19.336 11.433 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 6.655 19.536 11.043 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 5.975 18.586 12.003 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 -11.799 -15.364 24.385 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 -11.279 -14.874 23.755 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 -11.729 -14.864 25.195 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -20.958 -23.809 12.515 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -20.458 -23.449 11.785 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -21.218 -23.049 13.035 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 -6.179 18.996 -7.673 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 -5.889 19.866 -7.403 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 -6.869 19.176 -8.323 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 -10.187 4.439 13.801 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 -9.887 5.029 14.501 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 -10.757 4.979 13.261 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 21.965 -3.727 -12.129 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 22.865 -4.017 -12.009 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 21.995 -2.777 -12.009 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 15.474 14.864 -9.123 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 15.844 14.074 -8.753 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 15.764 15.564 -8.543 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 14.525 3.641 16.548 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 13.615 3.521 16.278 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 14.475 4.021 17.418 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 20.093 -19.307 -8.639 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 20.943 -19.617 -8.329 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 19.633 -19.037 -7.839 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 8.074 20.717 10.255 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 8.824 20.527 9.695 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 8.164 21.657 10.455 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -1.076 -22.757 -0.403 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -1.566 -22.407 -1.153 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -0.956 -22.007 0.177 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 19.264 3.683 17.988 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 18.534 3.063 18.008 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 19.174 4.143 17.158 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -24.799 -24.985 -22.662 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -24.239 -25.255 -21.942 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -24.209 -24.915 -23.412 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 -7.887 17.185 -7.149 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 -7.157 17.785 -7.009 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 -7.657 16.405 -6.649 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -11.526 -7.535 22.037 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -10.796 -7.885 22.547 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -12.296 -7.715 22.577 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 -12.268 -2.928 7.039 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 -12.368 -3.338 7.899 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 -12.118 -1.998 7.239 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -17.839 15.604 -5.149 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -17.739 16.374 -5.719 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -18.349 15.924 -4.409 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 4.360 -14.008 8.697 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 4.680 -13.168 9.027 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 4.950 -14.658 9.087 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 4.363 10.454 -23.053 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 4.793 10.674 -23.883 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 4.593 9.534 -22.913 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -9.877 -19.699 -12.931 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -8.947 -19.919 -12.921 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -10.307 -20.529 -13.131 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -6.583 -11.887 4.318 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -5.823 -12.347 3.958 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -7.253 -12.567 4.398 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -16.796 13.055 11.595 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -17.716 13.025 11.365 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 -16.776 12.975 12.555 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 22.725 14.894 14.821 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 23.405 15.384 14.361 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 23.075 14.004 14.891 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 -13.507 13.365 12.559 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 -13.067 14.215 12.499 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 -13.657 13.115 11.649 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 -18.845 1.301 -19.186 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 -18.065 0.741 -19.136 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 -18.595 2.101 -18.736 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 6.005 -5.745 6.273 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 5.415 -5.245 6.833 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 6.885 -5.535 6.603 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 -25.060 9.687 -12.495 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 -25.000 9.397 -13.405 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 -24.670 8.977 -11.995 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 2.966 5.562 -18.036 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 2.296 5.882 -18.636 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.786 5.662 -18.516 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -3.584 -0.554 -8.445 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -4.124 -0.034 -9.035 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -2.694 -0.474 -8.785 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 -13.155 24.734 -16.007 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 -12.705 24.854 -16.837 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 -12.995 23.814 -15.787 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 10.306 18.703 -5.803 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 10.516 17.993 -6.413 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 9.656 19.223 -6.263 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 10.484 24.688 16.907 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 10.954 24.918 16.107 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 11.174 24.498 17.547 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 -7.045 -24.657 20.607 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 -7.455 -25.497 20.807 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 -6.175 -24.717 20.997 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 18.070 -1.304 22.231 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 18.520 -1.914 21.641 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 17.620 -0.694 21.641 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 0.107 -24.525 5.231 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 0.017 -24.595 6.181 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 0.477 -23.655 5.091 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 2.865 -1.183 -8.343 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 2.785 -0.263 -8.563 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 3.405 -1.553 -9.043 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 -14.614 2.357 -12.779 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 -15.004 3.037 -13.329 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 -13.734 2.677 -12.589 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -0.751 -9.068 6.061 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -0.071 -8.398 6.121 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -0.761 -9.308 5.131 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -15.721 11.313 -21.635 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -14.961 11.703 -21.195 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -16.471 11.643 -21.145 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 -5.007 -18.617 -1.795 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 -4.917 -19.567 -1.705 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 -5.957 -18.467 -1.795 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 -22.289 -3.519 11.492 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 -22.139 -4.469 11.462 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 -22.299 -3.239 10.582 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 17.829 6.454 -15.188 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 17.139 6.984 -14.798 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 18.239 7.034 -15.838 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 15.122 15.413 -19.619 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 15.662 15.343 -20.409 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 15.722 15.723 -18.939 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -22.424 23.383 -18.027 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -22.554 24.213 -17.557 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -21.924 23.623 -18.807 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -21.314 1.962 7.763 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -21.584 2.142 8.663 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -20.364 1.902 7.813 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 -19.256 18.505 -7.957 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 -20.086 18.135 -7.647 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -19.486 19.375 -8.267 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 10.675 4.056 -13.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 11.225 4.176 -14.211 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 11.195 3.476 -12.871 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 5.483 7.594 22.425 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 5.093 6.734 22.555 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 5.973 7.524 21.605 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 -11.357 -18.815 -18.663 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 -11.357 -19.775 -18.733 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 -12.187 -18.555 -19.073 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 -24.577 -17.092 12.137 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 -24.137 -17.422 12.917 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 -25.357 -17.642 12.057 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -20.737 -20.195 1.967 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -20.937 -19.265 2.057 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -19.807 -20.255 2.197 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -15.921 16.563 -20.106 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -16.221 17.083 -19.366 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -16.651 15.983 -20.306 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -10.665 -12.719 -1.199 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -11.595 -12.809 -0.989 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -10.565 -11.789 -1.439 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 15.561 20.102 7.155 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 16.401 20.532 6.985 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 15.351 19.652 6.345 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -19.336 4.366 2.364 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -18.836 3.606 2.664 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -20.066 4.426 2.984 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -16.204 6.272 -23.429 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -15.394 5.952 -23.819 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -16.394 7.082 -23.879 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 16.862 -20.815 -10.601 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 17.312 -21.295 -9.901 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 15.982 -21.205 -10.621 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 -20.375 -24.978 20.631 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 -19.625 -24.848 21.221 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 -20.455 -25.928 20.541 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -2.134 -23.337 -6.057 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -1.684 -24.137 -6.307 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -1.494 -22.847 -5.537 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -20.060 21.923 -13.165 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -19.490 22.493 -12.645 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -20.140 21.133 -12.635 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 -11.225 -4.884 -11.587 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 -11.415 -4.574 -10.707 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 -10.355 -5.274 -11.527 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -20.583 22.466 -8.322 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -20.853 21.706 -8.842 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -21.123 23.186 -8.662 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 -20.569 -2.674 6.357 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 -21.099 -3.224 5.767 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 -19.729 -2.584 5.907 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 23.822 12.968 -8.627 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 24.672 12.628 -8.927 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 24.042 13.588 -7.937 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 -15.508 15.870 -10.785 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 -16.198 16.300 -11.285 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 -14.868 16.560 -10.615 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 14.273 20.826 -21.356 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 14.223 20.936 -22.306 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 15.103 20.366 -21.206 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 2.917 21.215 -15.857 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 2.477 22.055 -15.957 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 3.507 21.155 -16.617 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 -17.566 2.036 21.683 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 -17.786 1.946 20.753 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 -18.416 2.026 22.133 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -17.004 -6.596 -7.909 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -17.094 -6.816 -8.829 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -17.604 -5.856 -7.779 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 7.454 -10.214 10.941 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 6.504 -10.094 10.891 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 7.584 -11.144 10.731 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 2.203 -20.598 -8.043 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 1.383 -20.118 -8.153 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 2.003 -21.268 -7.373 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -15.498 15.065 -8.137 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -15.648 15.985 -7.907 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -15.638 15.015 -9.077 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 -5.049 22.484 -2.371 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 -4.759 22.424 -1.461 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 -4.669 23.304 -2.691 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 20.243 20.372 6.981 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 21.023 20.932 6.981 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 20.533 19.552 7.371 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 6.580 21.317 -11.063 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 5.710 21.527 -11.423 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 7.000 20.787 -11.743 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 0.987 25.065 -1.009 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 0.897 24.715 -1.889 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 0.087 25.265 -0.739 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 -6.215 -19.925 20.247 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 -5.755 -19.095 20.117 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 -6.595 -20.125 19.387 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 17.624 18.373 0.133 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 16.854 17.853 -0.087 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 18.244 18.193 -0.567 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 21.044 23.936 14.823 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 21.784 23.356 14.993 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 20.334 23.356 14.553 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 20.431 -20.720 2.375 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 20.811 -19.840 2.385 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 19.511 -20.590 2.575 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 11.593 24.799 -10.255 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 11.483 23.969 -10.725 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 11.383 25.469 -10.905 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 20.424 -11.094 -7.157 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 20.524 -11.994 -7.447 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 20.784 -10.574 -7.877 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 21.863 -6.876 -3.783 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 21.473 -7.336 -3.043 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 21.163 -6.316 -4.113 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -8.526 19.203 13.201 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -9.236 19.333 13.831 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -7.926 19.933 13.361 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 -20.773 -0.113 4.223 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 -21.413 -0.463 4.843 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 -19.973 -0.593 4.413 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -6.764 -7.097 -13.791 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -6.874 -8.017 -14.021 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -6.814 -6.627 -14.621 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 -23.496 0.663 18.387 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 -23.206 0.803 17.487 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 -22.946 -0.037 18.717 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 23.375 -4.284 -3.051 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 22.475 -4.044 -3.271 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 23.905 -3.844 -3.711 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 -19.684 -3.966 22.113 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 -19.954 -3.666 22.983 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 -19.034 -3.326 21.823 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -10.633 -15.405 -18.503 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -10.583 -15.445 -19.463 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -11.473 -15.815 -18.293 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 -6.546 -15.849 -19.845 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 -6.966 -14.999 -19.995 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 -7.046 -16.249 -19.135 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 9.000 -18.887 -9.019 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 8.690 -19.667 -8.569 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 8.370 -18.757 -9.729 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 -12.336 -11.183 4.375 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 -12.716 -10.513 3.804 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 -11.676 -11.613 3.834 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 -19.845 18.785 -4.319 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 -19.325 19.545 -4.589 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 -20.725 19.135 -4.189 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -3.469 -10.888 0.418 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.159 -11.398 1.178 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -3.239 -11.428 -0.332 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -19.535 -18.653 15.581 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -19.135 -19.393 16.061 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -19.775 -18.033 16.271 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 6.419 -9.737 -2.403 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 6.029 -10.267 -3.103 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 5.859 -8.967 -2.343 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 20.584 -16.306 18.093 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 20.244 -15.476 17.753 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 21.364 -16.476 17.553 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 -11.445 7.765 2.298 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 -10.995 7.945 1.468 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 -12.145 7.155 2.058 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 12.511 -17.326 -3.097 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 13.331 -17.716 -2.807 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 12.781 -16.516 -3.547 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 19.076 -11.926 16.849 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 18.786 -11.066 16.529 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 19.736 -11.726 17.509 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 19.833 -1.590 -12.257 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 19.213 -1.360 -12.947 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 20.313 -2.350 -12.607 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -4.213 -22.880 -4.136 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -4.773 -23.360 -4.756 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -3.323 -23.140 -4.375 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 1.142 12.405 -19.939 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 0.402 12.105 -19.409 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 1.392 11.645 -20.459 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 -3.580 -22.015 11.839 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 -2.650 -21.805 11.709 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 -3.750 -22.735 11.239 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 22.166 21.412 -2.253 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 22.756 20.772 -2.653 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 22.416 22.252 -2.633 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -22.856 -17.118 -8.272 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -23.286 -17.448 -9.052 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -23.406 -17.408 -7.552 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 19.493 2.830 -4.105 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 18.683 2.460 -3.765 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 20.113 2.100 -4.115 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 4.075 4.345 12.067 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 3.255 4.825 12.237 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 4.765 4.985 12.207 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -19.419 16.353 24.617 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -18.559 16.353 25.037 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -19.899 17.063 25.057 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 8.362 -18.746 21.819 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 7.952 -17.876 21.859 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 7.622 -19.356 21.749 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -5.878 -19.619 7.367 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -6.818 -19.559 7.197 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -5.618 -18.739 7.627 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 16.725 -8.563 22.153 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 16.655 -9.273 22.793 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 16.885 -9.003 21.323 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 -22.957 -14.104 -24.625 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 -22.577 -14.124 -25.505 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 -22.347 -14.614 -24.095 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 -21.166 3.923 -1.831 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 -21.406 4.803 -2.101 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 -21.366 3.373 -2.591 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 14.525 -7.823 -6.657 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 14.865 -7.483 -5.827 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 15.235 -8.353 -7.017 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 11.647 2.026 -2.929 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 11.517 2.726 -2.289 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 11.567 2.456 -3.779 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -12.214 12.873 18.657 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -11.594 13.393 19.157 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -12.654 13.503 18.087 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 10.975 -13.928 19.975 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 10.965 -13.518 19.115 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 11.755 -14.488 19.955 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 20.795 -18.045 22.285 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 21.285 -17.795 23.075 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 21.475 -18.275 21.655 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 2.815 -8.516 7.748 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 3.085 -7.766 8.268 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 2.175 -8.976 8.288 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 17.930 -13.686 -1.406 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 17.270 -13.046 -1.136 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 17.780 -13.796 -2.346 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 14.412 -8.298 -1.697 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 14.152 -7.868 -0.887 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 15.352 -8.458 -1.597 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -9.655 16.067 14.388 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -9.925 15.947 13.478 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -9.495 15.177 14.708 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 0.604 0.154 14.953 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 0.784 -0.776 14.893 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -0.346 0.214 14.973 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 -11.428 -23.044 13.937 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 -11.308 -23.604 14.717 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 -11.298 -22.154 14.267 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -10.266 -22.320 3.503 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -9.576 -21.660 3.523 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -10.186 -22.770 4.343 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -1.854 6.092 10.845 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -1.174 6.752 10.745 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -2.664 6.592 10.915 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 7.672 -24.515 19.017 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 7.582 -23.595 18.757 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 6.872 -24.715 19.487 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 -20.368 -17.427 2.129 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 -19.468 -17.247 2.409 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 -20.328 -17.457 1.179 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 -10.218 1.902 23.374 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 -10.468 2.312 22.544 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 -9.988 2.642 23.944 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 14.026 16.816 -10.913 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 13.326 16.636 -11.543 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 14.826 16.796 -11.443 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 9.044 24.683 11.977 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 8.734 24.333 11.137 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 8.704 25.573 12.007 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -20.967 -5.727 9.591 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -21.307 -6.487 10.061 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -20.407 -5.277 10.221 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 -23.237 -14.836 -12.762 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 -24.077 -14.876 -13.222 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 -22.667 -15.426 -13.252 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -1.517 4.474 -19.875 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -1.797 4.894 -20.685 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -2.337 4.294 -19.405 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 23.875 -2.356 20.687 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 24.395 -1.796 21.257 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 23.855 -3.206 21.127 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 11.667 2.344 23.793 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 10.877 2.474 24.323 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 11.367 1.844 23.033 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 6.696 3.245 -24.399 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 6.246 2.435 -24.669 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 7.266 2.965 -23.689 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 6.169 23.694 9.199 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 6.479 22.814 8.999 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 6.929 24.254 9.059 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 -20.257 1.757 14.329 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 -19.397 1.347 14.229 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 -20.057 2.677 14.509 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 -3.944 -1.360 -5.947 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 -4.524 -0.610 -5.827 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 -3.544 -1.230 -6.807 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 -15.146 13.464 0.144 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 -16.066 13.304 0.344 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 -14.676 13.134 0.914 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -16.054 -12.246 -1.765 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -15.804 -13.106 -2.105 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -16.584 -12.436 -0.985 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 -7.976 12.267 11.255 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 -7.226 12.257 10.655 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 -8.526 12.997 10.945 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -15.875 6.276 -18.761 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -16.645 6.476 -19.291 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -15.135 6.556 -19.291 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -19.144 -3.666 10.641 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -18.324 -3.706 11.131 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -19.074 -2.866 10.121 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -21.775 17.807 2.913 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -20.885 17.447 2.933 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -22.215 17.307 2.223 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 4.203 2.902 14.593 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 3.613 3.142 13.883 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 3.633 2.622 15.303 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 3.597 12.526 -14.937 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.697 12.706 -15.217 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 4.117 13.216 -15.357 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 13.467 -12.007 -18.709 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 12.917 -12.567 -18.169 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 12.897 -11.277 -18.959 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 3.719 -20.928 1.283 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 4.579 -21.148 1.633 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 3.329 -21.768 1.053 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 -18.846 10.285 -15.537 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 -18.456 10.985 -16.057 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 -18.236 10.165 -14.797 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -10.324 13.304 10.267 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -11.154 12.834 10.317 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -10.054 13.214 9.347 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -22.617 -10.667 -13.301 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -21.737 -10.847 -12.961 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -23.087 -10.307 -12.551 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 13.836 14.899 3.167 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 14.646 15.119 2.707 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 13.216 15.589 2.907 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -25.007 -0.237 22.055 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -25.007 -0.087 21.105 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -24.827 0.623 22.435 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 -2.547 -8.955 -20.659 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 -2.797 -8.555 -21.489 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 -3.317 -9.455 -20.389 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -17.885 18.844 5.251 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -18.325 18.004 5.281 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -17.335 18.844 6.041 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -7.687 21.367 18.115 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -7.127 22.137 18.205 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -7.087 20.627 18.225 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 -13.455 -21.327 -5.706 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 -13.695 -21.157 -4.786 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 -12.915 -22.117 -5.666 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -9.534 19.506 21.771 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -10.044 18.696 21.851 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -8.624 19.216 21.851 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 13.043 20.333 -4.851 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 12.173 19.963 -4.661 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 13.643 19.813 -4.311 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 1.866 -12.595 13.497 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 1.406 -11.755 13.397 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 2.066 -12.855 12.597 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 13.262 6.575 11.121 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 13.222 6.535 12.081 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 13.172 5.665 10.851 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -9.494 -23.646 -7.212 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -10.184 -23.056 -7.502 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -9.964 -24.436 -6.922 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.696 13.606 -21.612 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 21.816 12.736 -21.232 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.966 14.216 -20.932 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 -19.800 -23.184 0.131 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 -18.990 -23.524 0.521 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 -19.950 -23.734 -0.629 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -12.325 10.333 7.433 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -11.425 10.523 7.173 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -12.855 10.883 6.863 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 -24.041 2.147 -2.222 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 -24.051 1.547 -1.472 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 -24.681 1.787 -2.822 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 4.673 18.317 -10.929 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 4.323 18.677 -11.749 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 4.283 17.447 -10.859 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 4.837 -22.260 -18.249 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 5.197 -21.370 -18.349 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 5.547 -22.840 -18.489 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 7.641 -24.548 -5.427 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 7.321 -23.938 -4.767 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 8.301 -25.068 -4.977 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 -10.015 -24.109 20.503 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 -10.085 -23.729 21.373 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 -9.075 -24.289 20.393 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 21.114 0.765 -4.821 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 21.604 0.725 -4.001 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 21.034 -0.145 -5.091 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -14.088 22.331 -15.291 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -13.988 22.441 -14.351 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -15.038 22.321 -15.431 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.846 17.442 -4.759 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.686 18.172 -4.169 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.376 17.812 -5.469 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 -13.938 -12.915 -24.509 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 -14.608 -12.525 -23.949 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 -14.328 -12.915 -25.379 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 18.614 11.367 0.015 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 19.144 11.157 0.785 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 17.774 11.657 0.365 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 3.133 -0.876 12.594 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 2.383 -1.096 12.034 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 3.243 0.074 12.474 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -21.936 12.967 9.909 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -22.686 12.467 10.239 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 -21.176 12.467 10.189 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -16.585 13.264 22.987 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -16.215 13.004 23.827 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -17.435 13.654 23.207 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 21.205 17.902 -21.873 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 21.985 17.732 -21.333 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 21.045 17.072 -22.323 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 22.512 16.285 25.191 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 23.302 16.285 25.741 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 22.832 16.085 24.311 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 6.524 -23.144 -3.261 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 5.924 -23.864 -3.051 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 7.054 -23.024 -2.471 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 -23.897 19.942 -2.083 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 -24.157 19.022 -2.043 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 -23.767 20.202 -1.173 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 4.966 11.161 11.277 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 5.856 11.291 11.607 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 4.846 11.871 10.637 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 13.183 -23.986 -18.095 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 12.593 -23.996 -17.335 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 12.723 -24.486 -18.765 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 -15.606 -17.064 21.193 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 -14.816 -16.814 21.673 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 -15.286 -17.634 20.493 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -24.049 18.738 4.541 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -24.639 18.648 3.781 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -23.179 18.538 4.201 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 -22.696 5.054 19.653 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 -23.636 4.874 19.613 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 -22.416 4.694 20.493 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 3.994 16.307 17.005 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 4.334 16.177 16.125 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 4.244 17.207 17.235 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -22.528 -5.174 5.185 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -23.048 -5.774 4.645 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -21.868 -4.824 4.585 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -2.075 -10.669 3.921 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -3.015 -10.589 4.051 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -1.955 -11.559 3.581 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -1.817 -25.233 -2.449 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -1.287 -25.813 -2.999 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -1.217 -24.533 -2.189 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 -19.094 24.719 10.615 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 -18.414 24.499 9.975 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 -19.894 24.819 10.095 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 0.649 20.445 21.257 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 -0.151 19.925 21.237 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 1.349 19.795 21.237 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -21.273 15.404 -13.830 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -20.413 14.984 -13.830 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -21.763 14.964 -13.140 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 13.981 13.087 -0.613 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 14.101 12.577 -1.413 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 13.171 12.747 -0.233 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 -22.004 20.315 -14.547 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 -21.894 20.535 -15.477 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 -21.394 20.885 -14.087 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 -7.545 -21.477 10.279 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 -7.845 -22.387 10.219 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 -7.425 -21.197 9.369 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 1.595 -6.367 -20.066 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 0.755 -5.947 -19.906 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 2.215 -5.647 -20.146 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 -13.017 4.934 -11.153 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 -13.747 5.304 -10.663 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 -12.237 5.364 -10.783 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 -8.283 23.105 20.905 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 -7.493 22.575 21.005 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 -8.583 22.905 20.015 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 15.710 -17.329 9.477 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 15.880 -17.899 8.727 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 15.260 -16.579 9.107 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 -18.918 -24.515 17.421 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 -19.128 -24.685 16.501 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 -19.668 -24.865 17.901 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -14.276 -15.737 -7.306 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -14.496 -14.807 -7.286 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -15.046 -16.167 -6.935 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 -15.805 24.724 19.121 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 -16.445 24.074 18.831 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 -15.395 25.044 18.321 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 2.503 7.143 5.619 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 2.353 7.133 6.559 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 3.383 7.533 5.529 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -23.536 19.336 25.115 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -23.696 20.156 24.655 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -24.406 18.936 25.195 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 2.544 3.115 -21.347 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 2.694 3.915 -20.847 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 2.684 2.405 -20.727 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 0.513 -12.414 8.655 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 0.993 -12.714 9.425 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 0.953 -12.854 7.915 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 12.095 -3.816 24.345 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 12.855 -4.236 23.955 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 12.155 -4.016 25.275 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 20.321 -5.396 -5.709 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 20.481 -6.006 -6.429 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 19.381 -5.226 -5.749 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -17.149 19.747 23.421 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -17.009 18.937 22.931 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -17.639 19.467 24.191 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 18.921 -0.068 -15.039 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 18.361 0.442 -15.619 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 19.511 0.582 -14.649 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 14.743 4.113 -10.221 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 14.153 4.443 -9.551 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 14.203 3.523 -10.751 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 19.913 24.704 -17.399 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 20.663 24.114 -17.429 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 20.283 25.554 -17.149 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 24.066 -0.048 5.865 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 24.676 0.102 6.585 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 23.946 0.812 5.465 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -13.416 -2.207 -3.543 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -13.286 -1.817 -2.673 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -12.536 -2.487 -3.803 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 8.282 12.004 23.621 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 8.812 12.474 22.981 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 8.102 11.154 23.211 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 12.832 -8.467 -9.259 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 13.442 -8.977 -8.719 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 12.962 -8.797 -10.149 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -11.647 18.975 -22.152 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -11.697 18.285 -21.492 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -12.527 18.995 -22.532 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 -22.755 7.566 -15.716 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 -22.895 6.616 -15.766 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 -22.545 7.726 -14.806 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 5.953 24.702 5.319 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 5.273 24.272 5.829 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 6.013 25.582 5.689 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.454 16.084 14.783 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.494 15.654 13.923 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 6.174 16.714 14.763 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 9.034 22.477 -14.237 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 9.294 21.897 -14.947 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 8.074 22.507 -14.297 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 -20.691 -12.616 -17.401 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 -20.181 -13.066 -18.081 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 -20.261 -12.856 -16.581 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 -16.486 19.296 19.247 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 -16.916 18.446 19.167 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 -15.726 19.236 18.667 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -12.107 22.473 -7.977 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -12.097 22.673 -7.047 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -13.027 22.263 -8.167 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -15.536 -7.696 18.293 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -14.666 -7.636 18.683 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -15.506 -7.086 17.553 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -25.220 2.253 -9.478 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -24.380 2.713 -9.538 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -24.970 1.333 -9.388 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 14.086 2.222 -15.525 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 14.066 3.022 -15.005 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 13.226 1.822 -15.365 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -3.908 -15.144 -12.565 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -4.758 -14.754 -12.745 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -3.288 -14.414 -12.595 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 -15.156 9.135 -11.715 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 -16.046 9.485 -11.765 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 -14.706 9.495 -12.475 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 17.459 -1.009 4.709 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 16.539 -1.239 4.689 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 17.899 -1.719 4.229 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 3.825 23.313 14.917 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 4.355 22.703 14.397 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 3.405 22.763 15.577 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -23.319 13.611 22.259 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -23.269 14.421 22.769 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -22.469 13.551 21.809 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 10.393 -16.693 -23.487 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 11.143 -16.123 -23.317 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 9.643 -16.193 -23.187 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -10.401 3.245 -18.323 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -9.711 3.835 -18.003 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -10.381 2.515 -17.713 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 1.620 -1.277 25.339 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.300 -1.227 24.439 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 2.570 -1.337 25.249 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 9.925 5.224 -1.251 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 9.275 4.944 -0.611 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 10.755 4.914 -0.901 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 14.379 -7.276 22.557 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 14.829 -8.066 22.267 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 14.499 -6.646 21.847 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 16.826 23.111 -16.626 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 16.826 23.361 -17.556 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 17.726 23.251 -16.346 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -7.765 -5.267 6.597 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -7.925 -6.207 6.527 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -7.555 -5.127 7.517 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -18.358 13.883 17.833 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -18.898 14.673 17.923 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -17.528 14.123 18.253 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 6.643 -23.209 -0.201 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 6.973 -24.099 -0.291 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 5.703 -23.309 -0.071 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 13.045 15.083 -21.716 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 13.795 15.283 -22.286 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 13.375 15.213 -20.826 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 23.770 20.143 -19.735 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 22.840 20.353 -19.795 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 24.110 20.773 -19.095 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -10.388 4.154 -11.509 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -10.968 3.934 -12.229 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -10.068 5.034 -11.709 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -22.784 10.464 19.845 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -23.094 11.304 20.175 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -22.174 10.144 20.505 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -18.537 -10.385 -2.701 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -19.057 -9.685 -2.301 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -18.557 -11.095 -2.061 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 -15.797 -23.769 4.167 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 -15.987 -23.499 5.067 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 -15.327 -23.019 3.787 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 16.589 10.851 -8.451 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 16.779 11.241 -7.591 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 17.359 10.331 -8.651 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 -14.989 22.181 -19.349 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 -15.069 23.131 -19.369 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 -14.069 22.021 -19.149 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -2.510 -1.347 -2.319 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -2.220 -1.957 -1.639 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -3.450 -1.507 -2.399 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 17.181 14.283 15.519 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 17.781 14.513 16.229 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 17.761 14.053 14.789 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 -21.133 17.297 -10.613 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 -20.403 16.927 -11.113 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 -20.863 18.197 -10.433 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -18.443 12.654 4.957 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -19.083 12.314 5.587 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -18.893 13.374 4.527 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -12.495 -18.779 -12.786 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -11.615 -19.139 -12.646 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -12.335 -17.929 -13.206 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 9.551 18.215 2.513 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 9.521 18.795 3.263 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 9.051 18.665 1.833 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 16.473 -14.536 6.683 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 17.353 -14.196 6.833 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 16.453 -14.746 5.753 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 4.807 -9.256 13.431 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 4.617 -9.106 14.361 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 3.937 -9.316 13.021 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 24.339 0.168 1.988 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 23.649 0.598 1.468 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 25.119 0.208 1.428 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 11.184 24.996 4.888 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 10.454 24.456 5.218 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 10.994 25.876 5.218 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 17.793 1.794 -21.999 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 18.663 1.404 -22.069 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 17.613 1.814 -21.059 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 24.803 7.270 11.927 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 24.233 7.930 11.537 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 25.503 7.150 11.287 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 2.024 1.343 -4.831 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 2.754 0.803 -4.531 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 1.324 0.713 -5.031 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 8.823 -8.427 -4.509 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 9.553 -8.557 -3.899 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 8.043 -8.667 -3.999 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 -3.458 -24.484 6.151 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 -4.338 -24.104 6.131 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 -3.598 -25.434 6.131 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 -1.897 -18.516 -11.755 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 -2.057 -18.206 -12.645 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 -0.997 -18.256 -11.575 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 2.484 19.132 11.579 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 1.954 19.842 11.949 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 1.934 18.782 10.879 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 6.202 -10.014 0.715 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 6.522 -10.834 0.345 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 5.302 -9.924 0.385 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 -18.494 -21.406 2.974 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 -18.934 -22.246 2.824 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 -17.564 -21.616 3.004 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 12.870 24.361 -7.745 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 12.440 24.421 -8.595 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 13.110 23.441 -7.655 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 -0.147 6.759 -8.392 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 -0.737 7.339 -7.912 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 -0.337 5.879 -8.052 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -0.848 -19.915 -8.505 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -1.498 -19.415 -9.005 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -0.778 -19.455 -7.665 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 -3.291 11.334 -21.057 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 -3.921 11.684 -20.437 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 -2.831 10.644 -20.577 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 6.864 8.826 18.955 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 7.574 8.256 19.235 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 7.294 9.606 18.615 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -23.535 -17.456 -4.903 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -22.985 -16.806 -5.343 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -24.005 -17.896 -5.613 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -17.426 -1.280 24.255 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -16.496 -1.250 24.445 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -17.626 -0.420 23.905 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 4.613 5.355 -7.569 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 4.483 4.795 -6.809 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 5.563 5.385 -7.689 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 2.104 24.653 -13.067 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 1.924 24.373 -12.167 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 1.244 24.863 -13.427 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 18.214 18.961 22.977 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 17.314 18.651 22.927 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 18.324 19.231 23.897 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -23.931 18.864 -19.981 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -24.851 19.084 -20.151 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -23.931 17.924 -19.841 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -6.616 8.702 20.329 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -6.866 8.122 19.609 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -5.706 8.472 20.519 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -16.714 -7.558 23.337 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -17.244 -6.918 23.807 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -17.254 -7.808 22.587 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 13.663 22.017 -13.133 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 12.733 21.977 -12.933 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 13.703 22.217 -14.073 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 20.944 20.103 -8.477 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 21.714 19.963 -9.027 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 20.994 21.033 -8.237 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 2.737 -13.007 -22.159 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 2.987 -13.877 -21.839 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 3.317 -12.847 -22.899 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 10.973 8.384 -1.545 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 10.653 8.964 -2.245 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 10.363 7.644 -1.555 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 8.065 14.465 -4.457 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 8.295 15.385 -4.347 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 7.125 14.435 -4.267 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -22.608 16.164 1.073 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -23.528 16.324 0.873 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -22.148 16.334 0.243 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 16.005 -0.935 -14.495 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 16.315 -0.365 -13.785 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 16.495 -0.645 -15.265 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 13.704 -10.456 8.775 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 13.494 -9.766 9.405 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 12.884 -10.916 8.645 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 -3.357 -5.259 -10.632 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 -2.637 -4.899 -10.112 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 -3.977 -5.579 -9.982 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 24.337 4.338 20.217 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 23.907 4.548 19.387 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 23.887 4.888 20.867 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -18.131 -17.027 21.955 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -17.311 -17.517 22.045 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -18.811 -17.707 21.975 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 -12.395 16.015 19.269 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 -12.375 16.895 19.659 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 -13.015 16.085 18.549 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -24.988 7.814 19.869 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -24.968 7.384 20.729 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -24.708 8.714 20.059 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 21.254 8.557 -23.613 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 20.984 8.217 -22.763 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 21.774 7.857 -24.003 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 10.189 1.323 -13.609 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 9.839 2.153 -13.939 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 11.019 1.213 -14.079 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 5.026 -11.726 3.453 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 5.506 -12.266 4.083 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 5.636 -11.026 3.223 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 -13.765 6.364 -16.563 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 -14.325 6.654 -17.283 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 -14.095 6.834 -15.793 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 -12.248 9.084 -3.203 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 -12.748 8.894 -3.993 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 -12.888 9.064 -2.493 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 10.031 9.875 -6.997 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 10.591 9.855 -7.767 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 10.591 9.595 -6.267 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 17.495 -23.259 -0.909 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 16.865 -23.879 -1.269 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 18.135 -23.139 -1.609 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 17.302 6.513 24.938 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 16.412 6.823 25.088 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 17.202 5.743 24.368 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 -13.009 5.404 -22.047 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 -13.109 5.874 -21.227 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 -12.099 5.544 -22.297 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 0.481 10.925 0.114 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -0.369 11.015 -0.316 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 0.811 10.085 -0.186 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -17.623 20.206 -0.365 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -17.403 19.806 0.485 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -18.143 19.546 -0.815 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 13.923 -22.869 7.275 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 14.233 -21.989 7.495 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 13.843 -23.319 8.125 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -8.714 23.444 12.128 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -8.204 23.994 12.728 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -8.334 23.624 11.268 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 14.450 -22.185 10.103 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 13.890 -22.655 10.723 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 14.790 -21.445 10.603 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 -2.978 -1.377 -15.253 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 -3.108 -1.287 -16.203 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 -2.278 -0.757 -15.053 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 -16.038 17.458 -6.950 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 -16.018 17.458 -5.990 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 -16.848 17.908 -7.170 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 8.497 -2.436 5.041 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 8.037 -2.156 5.831 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 7.827 -2.846 4.491 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 -9.005 -8.066 10.133 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 -9.805 -8.316 9.663 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 -8.295 -8.416 9.603 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 -16.888 9.965 13.179 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 -16.188 10.445 12.729 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 -17.128 9.275 12.569 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 -2.793 4.322 -22.229 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 -2.613 3.422 -21.959 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 -3.623 4.262 -22.699 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 20.896 24.115 -2.501 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 20.316 24.745 -2.931 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 20.306 23.475 -2.101 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 20.453 18.963 18.087 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 20.773 19.863 18.087 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 19.533 19.043 18.347 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 19.830 -15.624 -23.393 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 20.730 -15.324 -23.503 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 19.510 -15.124 -22.643 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 16.996 -16.355 -24.461 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 16.556 -16.685 -23.681 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 17.826 -16.835 -24.491 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 9.496 -3.900 19.723 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 9.146 -4.080 18.853 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 9.996 -4.680 19.953 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 20.311 5.394 15.518 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 21.031 5.874 15.108 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 20.151 4.654 14.938 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 9.873 3.581 -4.819 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 9.923 3.761 -5.759 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 9.633 4.411 -4.419 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -8.865 -8.223 23.221 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -8.095 -8.693 23.551 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -8.545 -7.343 23.041 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -0.963 -10.206 -22.981 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -1.263 -9.586 -22.321 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -0.643 -9.666 -23.701 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 -24.744 -18.261 6.831 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 -24.534 -19.041 6.311 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 -24.634 -17.531 6.221 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 8.675 -21.157 -5.049 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 8.635 -21.967 -4.549 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 8.805 -20.477 -4.389 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 10.433 13.659 22.761 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 11.013 13.729 23.531 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 10.933 14.049 22.051 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 14.123 -10.017 0.819 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 15.023 -10.287 0.619 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 13.583 -10.717 0.469 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -8.406 20.032 -15.493 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -9.316 20.032 -15.783 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -7.976 20.682 -16.043 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 18.474 9.287 7.871 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 17.854 8.757 7.381 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 18.074 9.397 8.731 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -15.096 -11.828 21.305 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -15.066 -11.798 20.345 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -15.996 -11.598 21.525 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 12.193 -5.339 11.374 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 12.393 -6.249 11.154 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 13.053 -4.909 11.394 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 -8.104 20.657 -9.213 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 -8.784 21.077 -8.693 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 -7.764 21.357 -9.773 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 10.984 0.553 21.489 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 11.574 0.293 20.779 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 10.934 -0.217 22.049 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -5.835 -8.674 -3.311 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -6.165 -8.964 -4.161 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -6.595 -8.734 -2.731 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 16.120 -2.295 15.761 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 16.190 -1.685 15.021 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 17.000 -2.645 15.851 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 3.999 1.476 -8.567 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 4.939 1.656 -8.557 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 3.819 1.116 -7.707 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 -20.693 -6.435 -2.181 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 -21.483 -6.515 -1.651 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 -20.683 -7.235 -2.711 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 -6.359 12.154 8.845 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 -5.559 12.004 8.345 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 -7.049 12.184 8.175 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 -21.346 15.077 21.197 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 -21.616 15.557 20.407 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 -20.986 14.257 20.857 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 17.382 -18.932 11.070 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 18.102 -19.042 10.450 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 16.702 -18.472 10.580 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 19.783 15.847 -3.681 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 20.353 16.187 -4.381 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 19.353 15.087 -4.071 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 13.055 -5.830 -7.809 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 13.275 -5.670 -8.729 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 13.475 -6.670 -7.609 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 6.292 -23.369 8.657 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 6.482 -22.739 7.967 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 5.362 -23.249 8.837 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 4.290 -11.679 -10.127 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 4.350 -10.729 -10.197 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 5.170 -11.989 -10.307 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 -5.479 5.994 -5.152 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 -5.189 5.214 -5.622 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 -4.679 6.344 -4.762 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 13.575 0.155 -13.317 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 12.725 -0.265 -13.307 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 14.135 -0.425 -13.827 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 -1.934 2.704 -12.970 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 -2.134 3.634 -13.070 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 -2.794 2.294 -12.830 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 -22.357 7.714 -6.935 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 -22.197 8.214 -7.736 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 -23.307 7.714 -6.836 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -13.191 9.927 1.279 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -12.641 9.627 1.999 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -13.721 10.627 1.659 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 8.944 2.921 16.858 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 8.234 3.191 16.268 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 8.824 3.461 17.628 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -14.967 11.977 6.559 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -15.517 11.727 5.809 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -14.627 12.847 6.319 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 16.542 12.976 1.421 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 15.902 13.136 0.731 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 16.422 12.046 1.641 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -9.329 23.685 15.799 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -9.339 23.535 16.749 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -9.279 22.795 15.429 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 20.023 -9.417 17.164 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 20.553 -9.007 16.474 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 19.203 -8.917 17.164 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 -16.487 -23.038 17.221 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 -16.457 -23.468 18.071 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 -17.357 -23.248 16.881 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 17.499 -8.526 -7.659 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 18.079 -8.716 -8.399 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 17.419 -7.566 -7.659 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 13.815 21.841 -7.891 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 13.935 21.111 -7.281 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 13.915 21.451 -8.761 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 24.184 19.280 21.764 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 24.344 20.170 21.444 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 23.264 19.110 21.554 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 7.943 10.753 14.531 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 7.213 10.303 14.101 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 7.903 11.653 14.211 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 18.505 16.345 11.224 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 18.385 16.925 10.474 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 19.345 16.615 11.604 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 13.960 19.645 -9.599 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 13.780 19.295 -10.469 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 13.420 19.115 -9.009 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 22.612 4.823 17.753 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 22.482 5.513 17.103 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 22.212 4.043 17.363 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 0.167 -16.396 0.867 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 0.657 -15.636 0.547 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -0.553 -16.506 0.247 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 20.235 -9.077 -2.797 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 19.695 -8.897 -3.567 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 20.105 -10.007 -2.627 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 5.314 6.933 5.344 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 5.634 6.913 4.445 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 5.434 6.033 5.664 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -7.773 24.676 -15.177 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -7.543 25.156 -15.987 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -7.113 23.996 -15.117 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 -4.208 -21.789 -7.091 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 -3.478 -22.399 -7.111 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 -4.608 -21.919 -6.231 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -3.295 15.554 -15.773 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -2.545 16.084 -15.483 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -2.905 14.764 -16.133 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 -8.409 -14.605 4.993 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 -8.739 -14.045 5.703 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 -8.369 -15.475 5.383 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -21.885 -14.567 11.195 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -22.095 -14.027 11.955 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -22.425 -15.347 11.305 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 1.729 14.967 -18.833 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 1.079 15.367 -19.413 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 2.059 14.217 -19.323 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -18.558 25.245 14.534 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -17.988 24.985 13.814 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -19.438 24.975 14.264 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -9.657 5.969 5.218 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -8.987 6.469 5.668 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -9.957 5.329 5.858 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -11.885 10.285 -21.632 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -12.365 10.775 -22.302 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -11.305 9.705 -22.122 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 3.443 5.932 22.920 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 2.943 5.152 22.670 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 2.783 6.552 23.240 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 -11.523 -0.576 -5.782 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 -10.793 -1.076 -5.412 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 -11.123 0.204 -6.142 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 -19.345 -24.142 -18.411 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 -19.515 -23.602 -17.651 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 -18.435 -23.932 -18.661 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 13.604 25.074 -12.463 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 13.704 24.164 -12.163 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 13.804 25.034 -13.393 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 16.444 -21.609 -25.167 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 16.804 -20.749 -24.977 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 17.204 -22.149 -25.377 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 -0.395 -5.014 4.383 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 -0.635 -4.094 4.233 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 -0.985 -5.514 3.813 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 4.877 20.752 -1.691 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 4.067 20.832 -1.191 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 5.377 21.542 -1.471 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -4.260 16.263 21.275 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -5.090 16.023 21.685 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -3.610 16.213 21.985 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -8.680 17.645 7.137 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -8.310 18.445 7.487 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -9.300 17.345 7.797 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 -3.645 7.524 19.637 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 -3.345 8.104 18.947 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 -3.345 6.654 19.357 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -22.287 -4.633 -6.569 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -21.647 -5.343 -6.629 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -22.147 -4.113 -7.359 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 -24.693 -4.879 -5.188 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -23.813 -4.819 -5.558 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -25.233 -5.209 -5.908 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 -18.516 -6.447 -10.526 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 -18.246 -7.327 -10.796 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 -19.216 -6.597 -9.896 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 7.563 -0.366 -10.612 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 7.613 -0.826 -9.772 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 7.243 -1.016 -11.232 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 21.372 16.546 17.244 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 21.052 17.416 17.484 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 22.042 16.346 17.904 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 19.721 -15.387 -3.593 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 18.821 -15.627 -3.373 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 19.631 -14.597 -4.123 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 12.411 -15.865 -10.786 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 12.021 -15.465 -10.016 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 13.351 -15.715 -10.685 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 2.892 -0.044 -1.275 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 2.272 0.556 -1.685 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 2.552 -0.914 -1.465 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 -25.057 1.080 14.001 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 -24.247 1.550 14.191 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 -24.977 0.820 13.081 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 16.071 8.183 3.886 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 16.791 8.673 3.486 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 16.451 7.343 4.126 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 -11.597 -9.019 -5.707 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 -11.957 -9.889 -5.877 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 -10.847 -8.949 -6.297 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 -17.226 -6.496 -4.939 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 -16.286 -6.506 -5.129 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 -17.636 -6.376 -5.789 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 23.751 -14.324 2.531 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 22.981 -14.244 1.971 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 24.431 -14.684 1.961 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 0.774 -3.768 -20.993 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 1.484 -4.218 -21.443 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 0.544 -3.048 -21.583 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 -19.535 -6.468 22.501 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 -19.815 -6.938 21.721 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 -19.465 -5.548 22.221 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -12.425 14.753 16.013 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -13.215 15.123 15.623 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.805 15.493 16.033 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -8.186 7.523 -18.936 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -9.046 7.453 -18.506 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -8.396 7.703 -19.856 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 -12.838 10.584 -18.981 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 -12.228 10.534 -19.721 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 -12.388 10.114 -18.281 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 5.944 18.757 20.553 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 5.774 18.347 19.703 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 5.774 18.057 21.183 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -4.571 10.606 -16.396 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -3.961 10.646 -15.666 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -5.261 10.006 -16.106 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 -13.377 1.152 15.491 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 -13.477 0.952 14.571 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 -12.447 1.032 15.671 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 -16.336 21.207 4.399 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 -16.576 21.607 5.229 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 -15.996 20.347 4.639 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -25.247 22.794 -18.537 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -25.847 23.204 -17.917 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -24.407 23.204 -18.357 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 -6.096 -1.149 10.559 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 -6.416 -0.689 9.779 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 -6.896 -1.369 11.039 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 4.524 18.673 -3.611 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 5.374 18.943 -3.941 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 4.254 19.373 -3.021 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 10.643 20.465 8.665 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 11.523 20.835 8.665 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 10.773 19.535 8.505 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -20.883 -24.477 -20.856 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -20.483 -24.547 -19.986 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -20.263 -24.917 -21.436 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 -10.426 -15.606 -21.436 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 -10.896 -15.126 -22.116 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 -9.526 -15.686 -21.766 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 25.515 21.506 18.881 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 25.185 21.716 19.761 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 24.825 20.976 18.491 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 -12.104 -21.216 -8.781 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 -12.044 -20.336 -8.391 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 -12.864 -21.616 -8.361 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -5.204 -9.814 -20.513 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -5.444 -10.034 -21.413 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -5.684 -10.434 -19.973 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 -11.654 -18.829 2.449 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 -10.854 -18.919 1.939 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 -12.044 -19.699 2.459 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 0.953 -6.515 17.933 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 0.743 -6.865 18.793 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 1.883 -6.285 17.983 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 0.655 -19.884 -4.425 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 0.065 -19.384 -4.985 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 0.385 -19.664 -3.535 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 10.622 -9.149 -16.841 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 10.792 -8.729 -15.991 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 9.672 -9.139 -16.931 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 -4.118 0.734 -12.929 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 -4.078 0.364 -13.809 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 -4.778 0.204 -12.479 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 -4.805 17.771 5.504 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 -5.595 17.961 4.994 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 -4.135 17.591 4.844 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.627 -5.296 16.773 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.357 -4.386 16.653 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 11.527 -5.326 16.453 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 6.954 -19.667 13.677 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 7.694 -19.287 14.147 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 7.174 -20.597 13.607 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -10.834 -21.274 19.941 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -10.904 -22.224 19.821 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -9.934 -21.074 19.731 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 23.491 10.534 -18.301 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 22.651 10.824 -18.651 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 23.251 9.894 -17.631 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 8.965 -12.243 20.538 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 9.885 -12.483 20.478 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 8.505 -13.073 20.688 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 18.094 -20.236 21.466 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 18.504 -19.646 22.106 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 18.094 -19.726 20.646 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 1.323 23.823 -7.555 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 0.713 23.423 -8.175 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 2.183 23.653 -7.925 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 2.194 -5.437 23.848 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 3.034 -5.887 23.838 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 2.384 -4.547 23.538 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 11.045 12.516 -23.746 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 11.935 12.656 -24.066 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 10.835 13.306 -23.256 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 -16.418 10.733 -3.265 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 -16.208 11.653 -3.465 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 -15.868 10.233 -3.855 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 25.236 25.026 -10.139 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 24.286 24.996 -9.989 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 25.326 24.876 -11.079 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -20.387 2.636 -6.919 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -20.267 1.756 -7.279 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -21.197 2.566 -6.409 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -6.538 7.975 -16.882 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -7.108 7.925 -17.642 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -7.018 8.505 -16.252 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 16.901 -10.087 19.555 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 16.611 -10.867 19.085 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 17.211 -9.497 18.865 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 9.634 8.925 -14.601 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 9.164 8.095 -14.571 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 10.024 8.945 -15.471 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 0.647 14.295 -16.011 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 0.667 15.205 -15.711 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 1.057 14.325 -16.881 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 1.084 24.705 -4.533 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 1.084 24.255 -5.373 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 1.284 25.615 -4.743 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 -3.418 20.986 22.035 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 -3.308 21.896 21.745 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 -3.538 21.046 22.975 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 13.444 22.144 12.303 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 14.274 22.634 12.353 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 12.764 22.814 12.383 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 16.104 -11.254 22.895 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 16.254 -11.304 21.955 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 15.194 -11.534 23.005 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 20.895 22.124 -5.161 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 21.805 22.364 -4.981 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 20.775 22.314 -6.091 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 6.001 -15.813 10.305 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 6.441 -15.053 10.685 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 6.461 -16.573 10.665 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -16.575 -8.285 5.479 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -17.505 -8.065 5.469 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -16.415 -8.645 6.349 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -19.416 9.587 23.257 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -19.746 8.757 22.927 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -18.886 9.937 22.537 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 23.837 23.685 5.607 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 23.527 22.785 5.667 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 24.337 23.715 4.797 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -4.626 -23.433 14.525 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -4.516 -22.553 14.895 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -3.746 -23.693 14.255 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 11.995 -18.908 -23.383 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 12.845 -18.878 -23.833 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 11.665 -18.018 -23.443 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 19.956 21.667 22.377 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 19.656 22.227 23.087 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 19.726 20.777 22.657 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 10.936 -0.914 3.789 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 11.676 -1.504 3.899 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 10.266 -1.444 3.369 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 22.173 0.723 9.458 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 22.733 1.363 9.898 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 22.463 -0.127 9.798 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 14.042 0.811 1.465 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 14.392 1.111 2.305 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 13.132 1.101 1.465 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 23.795 -12.407 -20.296 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 23.515 -11.507 -20.156 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 24.745 -12.357 -20.386 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -16.846 -2.317 -19.397 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -16.936 -2.107 -18.467 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -16.956 -3.277 -19.427 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 18.862 19.714 -24.895 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 18.132 20.334 -24.895 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 19.242 19.784 -24.025 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -21.176 18.142 14.813 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -20.266 18.342 15.023 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -21.646 18.962 14.993 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 24.684 2.974 9.814 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 24.164 3.704 10.154 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 25.384 3.394 9.315 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 2.241 0.566 20.315 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 2.261 0.066 19.495 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 2.931 0.176 20.845 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -10.806 12.845 -22.996 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -10.276 12.795 -22.206 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -10.366 12.275 -23.626 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 -12.287 19.752 1.734 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 -11.787 20.462 1.344 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 -13.017 19.602 1.125 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 3.585 -16.958 8.069 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 4.245 -16.778 7.399 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 2.935 -16.268 7.939 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 -3.275 -0.555 3.007 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 -3.175 0.245 3.527 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 -3.595 -0.245 2.157 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -23.894 4.565 16.123 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -23.934 5.515 16.163 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -24.364 4.335 15.323 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 15.693 -12.285 -5.267 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 14.993 -11.855 -4.777 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 15.563 -11.995 -6.167 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -22.141 -14.496 -2.546 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -22.041 -15.046 -3.316 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -21.351 -14.656 -2.026 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 -18.767 -0.234 -1.371 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 -18.607 -1.084 -1.801 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 -19.467 -0.414 -0.741 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -14.868 24.517 22.359 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -15.698 24.337 22.799 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -15.118 24.837 21.499 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 -17.384 1.237 13.655 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 -17.274 2.107 14.035 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 -17.194 0.637 14.375 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -6.036 -0.095 -15.611 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -6.486 0.255 -16.371 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -5.816 -0.995 -15.851 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 5.293 -16.848 -3.315 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 5.743 -17.618 -2.975 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 4.633 -17.198 -3.915 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -1.156 -15.574 -18.875 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -0.516 -14.914 -18.595 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -1.306 -16.114 -18.105 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -19.575 -5.335 -18.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -20.065 -6.085 -18.099 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -19.915 -4.595 -17.929 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -20.836 -16.668 -20.165 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -20.166 -16.188 -20.655 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -21.536 -16.818 -20.795 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -0.933 -0.458 -9.759 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -0.853 -1.418 -9.729 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -0.493 -0.218 -10.579 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 -10.617 -22.196 0.794 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 -10.237 -22.026 1.654 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 -11.557 -22.276 0.954 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 -17.604 14.617 7.475 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 -17.314 15.037 8.285 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 -17.384 13.697 7.585 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 24.864 5.554 6.185 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 24.154 5.064 5.755 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 25.414 5.864 5.465 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 9.806 -23.293 3.036 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 9.916 -23.553 2.126 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 10.486 -23.773 3.506 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -22.655 -9.896 22.090 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -23.445 -10.086 21.590 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -22.925 -9.246 22.730 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 15.764 16.930 -15.759 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 16.404 17.010 -16.459 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 16.264 16.600 -15.009 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 15.256 24.987 19.713 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 15.296 25.857 19.313 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 15.156 24.387 18.983 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 10.911 7.453 2.423 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 11.741 7.763 2.053 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 10.891 6.523 2.223 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 23.594 -4.297 22.821 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 24.054 -4.577 23.611 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 23.344 -5.107 22.381 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 -14.404 -15.033 2.189 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 -14.114 -14.463 1.469 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 -14.134 -15.913 1.929 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 -9.556 -5.236 0.777 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 -9.226 -5.136 -0.113 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 -10.506 -5.206 0.687 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 -23.419 -24.647 3.149 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 -22.619 -24.497 2.649 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 -23.599 -25.577 3.049 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 -11.470 -23.381 9.657 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 -11.230 -24.201 9.237 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 -12.090 -23.631 10.347 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 12.024 2.907 -8.703 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 12.224 2.117 -9.193 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 11.624 2.587 -7.893 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 10.984 -17.061 20.557 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 10.244 -16.461 20.447 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 11.714 -16.481 20.777 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 -22.027 8.644 24.511 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 -21.247 8.464 23.981 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 -22.407 9.424 24.121 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 13.090 9.193 5.009 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 13.260 8.353 4.599 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 12.410 9.603 4.469 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 -22.314 0.084 12.765 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 -21.714 0.804 12.935 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 -21.914 -0.406 12.045 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -7.555 -1.375 20.255 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -6.885 -2.055 20.325 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -7.955 -1.355 21.125 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 9.723 -12.155 -16.815 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 9.493 -12.785 -16.135 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 9.343 -11.335 -16.525 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 20.472 10.714 -11.359 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 21.402 10.524 -11.359 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 20.312 11.124 -10.509 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 24.339 18.547 -8.227 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 23.389 18.487 -8.137 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 24.469 19.037 -9.037 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 16.573 4.443 23.239 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 15.723 3.993 23.219 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 17.133 3.873 23.769 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 -3.936 -24.679 9.593 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 -3.796 -25.289 8.873 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 -4.806 -24.899 9.933 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 19.244 12.972 -13.301 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 19.294 12.242 -12.691 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 18.304 13.132 -13.401 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 -23.795 5.144 3.631 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 -23.635 4.814 2.741 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 -23.455 4.454 4.201 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 20.511 -6.116 16.153 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 21.151 -5.656 15.603 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 20.441 -5.576 16.943 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 8.226 20.083 0.997 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 7.516 19.553 1.357 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 8.506 20.633 1.727 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 -11.485 -0.297 7.363 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 -11.545 0.303 6.613 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 -10.555 -0.507 7.433 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -19.983 1.401 -3.139 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 -20.813 1.011 -2.889 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 -19.403 0.651 -3.309 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 -7.733 -24.499 2.311 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -8.273 -24.929 2.971 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -8.143 -23.639 2.191 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.625 -17.574 1.367 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 21.975 -17.294 0.527 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 22.385 -17.574 1.957 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 18.601 -1.898 7.414 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 18.741 -0.988 7.675 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 18.581 -1.868 6.454 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -21.744 -12.646 9.227 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -21.244 -12.666 8.407 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -21.444 -13.406 9.717 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 0.362 8.094 0.243 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 -0.008 7.914 -0.617 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 1.312 7.994 0.123 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 11.313 -12.024 4.739 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 12.053 -12.514 5.089 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 11.613 -11.114 4.719 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 2.893 -10.961 20.437 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 2.153 -11.051 19.837 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 2.983 -10.021 20.577 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 13.782 2.421 -1.226 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 13.252 1.741 -1.646 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 14.002 2.051 -0.366 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 -18.087 -5.174 -21.033 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 -18.627 -5.234 -20.243 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 -17.187 -5.304 -20.723 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -10.424 -8.178 15.458 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -9.624 -8.688 15.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -10.314 -7.758 16.308 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 14.626 11.565 22.867 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 15.346 10.935 22.897 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 14.076 11.345 23.617 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 -22.127 -6.707 17.265 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 -21.867 -5.887 17.675 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 -21.307 -7.177 17.115 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -5.286 1.244 -9.467 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -4.916 2.004 -9.917 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -6.156 1.534 -9.187 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 2.597 23.103 -2.403 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 2.807 23.183 -1.473 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 2.577 22.153 -2.563 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 -15.593 15.345 5.609 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 -15.623 16.155 6.129 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 -16.213 14.765 6.049 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 -15.564 -12.430 9.471 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 -15.174 -13.260 9.191 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 -16.064 -12.650 10.251 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 -0.393 -2.218 7.683 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 -0.153 -3.058 8.073 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 -1.233 -2.378 7.253 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 -20.336 7.421 -18.469 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 -20.136 7.471 -17.529 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 -21.006 8.081 -18.609 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 10.054 -2.494 1.513 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 10.514 -3.134 2.063 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 9.834 -2.974 0.713 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -17.763 -22.457 -11.186 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -18.353 -21.777 -10.856 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -18.263 -23.277 -11.096 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 15.664 -4.943 -16.091 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 16.534 -5.303 -15.931 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 15.434 -4.503 -15.271 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 -11.245 19.613 -25.119 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 -10.925 19.193 -25.919 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 -10.755 19.193 -24.419 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 24.545 21.417 1.271 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 24.225 21.697 0.411 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 23.855 20.837 1.601 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 -4.985 -4.859 10.129 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 -4.915 -4.749 9.179 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 -5.195 -3.989 10.459 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.563 16.614 23.613 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 2.113 16.714 22.773 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.063 15.944 24.083 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 17.617 19.003 5.557 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 17.787 18.103 5.817 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 17.147 18.943 4.727 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 15.583 -20.903 4.711 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 16.333 -20.343 4.881 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 15.863 -21.483 4.001 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 14.397 22.627 -3.529 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 13.887 21.977 -4.019 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 14.067 23.467 -3.849 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -6.613 -1.937 -24.412 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -5.943 -1.497 -23.902 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -6.783 -1.347 -25.152 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 -8.401 6.483 2.875 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 -7.481 6.453 3.155 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 -8.891 6.593 3.695 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 19.826 0.483 8.457 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 19.926 -0.457 8.607 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 20.586 0.873 8.887 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 -12.466 16.867 -19.885 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 -12.136 16.337 -20.605 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 -13.416 16.797 -19.945 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 14.522 8.503 13.424 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 14.612 9.393 13.764 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 13.612 8.443 13.154 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 19.674 -14.565 -20.327 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 19.004 -15.235 -20.187 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 20.444 -15.045 -20.627 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 0.132 -2.279 3.898 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 -0.548 -2.029 3.268 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 0.472 -1.449 4.228 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 18.845 -3.366 -16.559 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 17.945 -3.686 -16.459 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 19.295 -3.656 -15.769 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -18.983 20.103 16.823 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -18.273 20.363 17.403 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -19.563 19.573 17.373 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 -23.377 13.655 15.597 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 -22.617 13.085 15.717 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 -23.247 14.365 16.217 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -4.186 9.077 -7.533 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -4.046 9.877 -7.023 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -3.656 8.407 -7.103 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -1.136 6.470 -24.423 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -1.636 7.280 -24.313 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -1.066 6.110 -23.543 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 1.307 5.930 -10.791 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 0.437 6.200 -10.481 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 1.297 4.980 -10.731 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -9.056 2.489 8.387 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -8.956 2.979 9.207 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -8.366 2.829 7.817 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 9.585 -16.210 0.695 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 8.635 -16.170 0.685 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 9.855 -15.340 1.015 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 -20.524 14.003 6.559 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 -20.134 14.873 6.469 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 -20.594 13.863 7.509 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 -16.168 10.481 4.373 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 -16.268 9.561 4.583 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 -16.978 10.891 4.693 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 4.285 -24.467 20.464 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 4.565 -24.047 19.654 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 3.705 -25.177 20.175 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 -5.538 16.040 16.458 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 -5.358 16.680 17.148 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 -5.618 16.560 15.658 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 15.873 -0.151 -1.149 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.083 -0.011 -0.619 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 16.383 -0.781 -0.649 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 9.994 5.552 14.521 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 9.454 5.842 15.261 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 9.684 4.662 14.331 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -0.117 19.193 -10.451 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -1.017 19.243 -10.101 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 0.403 19.723 -9.841 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 8.007 -13.149 10.545 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 8.867 -12.759 10.415 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 7.797 -12.969 11.465 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 5.071 -9.367 -23.289 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 5.861 -8.827 -23.289 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 4.571 -9.077 -24.049 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 7.284 20.763 -16.689 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 7.374 20.293 -17.509 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 7.784 21.563 -16.809 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 8.663 -14.276 3.427 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 9.573 -14.296 3.717 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 8.683 -13.756 2.627 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 8.260 11.142 17.113 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 8.850 11.892 16.983 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 8.370 10.622 16.313 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -13.414 18.360 6.078 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -13.654 17.600 5.558 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -13.944 18.280 6.878 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 20.196 -7.830 -15.722 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 20.166 -8.190 -14.832 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 21.126 -7.650 -15.872 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 -15.367 -25.407 -14.601 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 -15.067 -24.787 -13.941 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 -14.657 -25.447 -15.241 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 5.126 -21.397 -14.075 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 5.206 -21.797 -13.205 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 5.976 -20.987 -14.215 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 -24.147 -10.741 -24.066 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 -23.507 -10.141 -24.456 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 -24.997 -10.401 -24.336 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 9.922 -9.556 21.053 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 10.492 -10.326 21.083 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 10.082 -9.106 21.873 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 14.711 -19.388 23.203 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 15.661 -19.318 23.083 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 14.431 -19.998 22.523 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 -12.487 -12.298 -18.817 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 -12.507 -11.708 -18.067 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 -11.857 -12.968 -18.577 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 2.219 12.625 11.401 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 3.149 12.875 11.401 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 2.169 11.905 12.021 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 -13.356 -5.880 4.163 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 -13.986 -5.880 3.443 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 -12.556 -6.240 3.773 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 12.045 -24.833 19.765 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 11.775 -23.923 19.635 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 11.225 -25.323 19.845 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 20.166 13.966 -16.131 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 20.966 13.456 -16.251 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 19.536 13.346 -15.761 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 -22.105 -16.802 -17.809 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 -21.885 -17.532 -17.229 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 -21.855 -17.092 -18.679 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -16.176 2.524 -24.793 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -16.086 1.834 -24.143 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -15.756 3.284 -24.393 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 16.433 -12.862 12.827 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 16.193 -12.612 13.717 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 15.653 -13.302 12.487 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.017 -0.305 17.629 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.807 -1.155 17.229 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 3.427 0.305 17.189 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 4.703 24.782 -2.939 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 4.183 25.352 -3.509 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 4.073 24.172 -2.569 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 -16.175 -19.476 10.459 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 -16.965 -19.836 10.079 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 -16.445 -18.656 10.869 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -14.455 -20.217 22.600 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -14.005 -19.887 23.380 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -14.565 -21.147 22.760 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 22.832 13.661 18.055 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 22.312 14.241 17.495 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 22.582 12.781 17.765 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 3.290 1.754 11.608 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 3.600 2.614 11.318 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 2.470 1.934 12.058 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 17.374 20.307 -6.855 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 16.574 20.677 -7.225 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 17.934 20.127 -7.615 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 -6.055 -21.353 -2.324 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 -6.305 -21.373 -3.254 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 -5.345 -21.993 -2.244 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 13.552 12.832 -7.495 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 13.872 12.662 -8.375 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 13.282 13.742 -7.505 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -13.647 -24.089 23.729 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -14.387 -23.969 24.319 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -13.957 -24.709 23.069 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 12.057 -23.330 -21.446 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 12.197 -24.090 -22.006 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 12.517 -22.610 -21.876 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -2.076 -17.308 -16.819 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.556 -17.848 -17.439 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.196 -17.668 -16.809 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -22.486 1.844 -12.385 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -22.026 1.854 -11.545 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -23.066 2.604 -12.355 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 -13.260 0.575 1.803 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 -12.320 0.465 1.703 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 -13.360 1.395 2.293 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 18.687 8.024 -19.002 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 18.507 8.904 -19.332 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 18.557 8.094 -18.052 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 4.723 9.846 -20.167 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 4.663 9.076 -19.597 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 3.843 10.216 -20.177 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 15.009 22.527 8.347 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 15.149 21.587 8.227 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 15.739 22.937 7.897 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -22.226 -5.462 21.517 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -21.806 -4.602 21.517 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -22.356 -5.662 20.587 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 3.812 -7.287 4.455 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 4.422 -7.567 5.135 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 4.042 -6.377 4.265 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -0.308 17.575 -18.529 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -0.408 16.915 -17.839 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -1.158 17.995 -18.599 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 10.255 7.061 8.585 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 9.825 6.931 9.435 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 11.105 6.641 8.685 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -14.353 -5.328 -3.776 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -14.313 -4.448 -3.406 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -14.283 -5.198 -4.726 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 -10.703 5.436 18.343 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 -9.933 5.826 17.933 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 -11.443 5.896 17.933 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -1.445 5.425 -1.081 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -1.475 5.255 -2.031 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -1.395 6.385 -1.011 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 19.905 -8.684 -18.802 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 19.595 -7.944 -19.332 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 19.995 -8.324 -17.922 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 1.572 4.640 13.913 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 1.242 3.750 13.783 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 0.902 5.080 14.423 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 2.783 -12.095 1.523 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 3.493 -12.585 1.943 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 2.563 -11.415 2.153 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 -2.995 1.653 -20.898 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 -3.335 1.983 -20.068 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 -2.095 1.413 -20.708 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -15.605 -0.990 4.402 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -14.755 -0.930 3.972 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -15.745 -1.920 4.532 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 -14.798 -20.134 -2.712 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 -15.418 -20.604 -3.272 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 -15.028 -19.214 -2.832 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 8.535 -12.519 -24.796 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 7.745 -12.399 -24.286 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 9.225 -12.069 -24.306 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -12.938 25.165 18.230 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -11.988 25.265 18.150 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -13.238 24.985 17.340 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 24.472 19.176 -14.083 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 23.862 19.046 -13.353 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 24.382 18.376 -14.603 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 22.963 -9.598 -15.137 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 22.723 -9.578 -14.207 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 22.133 -9.688 -15.597 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 -24.316 10.794 -21.536 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 -23.986 10.704 -22.426 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 -24.896 10.044 -21.416 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 23.387 -24.598 -17.953 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 23.197 -24.758 -18.873 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 23.077 -25.378 -17.493 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 24.193 -2.936 -0.373 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 23.963 -3.256 -1.243 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 23.343 -2.786 0.057 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 23.934 25.143 24.804 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 24.134 25.403 25.704 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 23.924 24.183 24.824 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 10.896 -21.776 15.423 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 10.346 -21.006 15.573 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 11.026 -21.806 14.483 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 -0.164 -8.426 24.661 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 -0.324 -8.436 23.721 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 0.416 -9.176 24.821 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 -2.786 -13.124 -14.067 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 -2.456 -12.804 -13.227 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 -3.676 -12.774 -14.127 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 19.191 21.293 4.778 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 19.331 20.373 4.568 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 19.221 21.323 5.738 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 2.003 23.644 -21.411 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 2.313 24.094 -20.631 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 1.403 22.974 -21.091 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 21.124 7.934 5.544 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 20.794 8.824 5.514 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 21.004 7.664 6.454 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -22.225 11.407 -11.137 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -23.005 10.977 -11.507 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -21.615 11.457 -11.877 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 -21.139 25.592 6.763 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 -20.459 24.992 7.073 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 -21.859 25.022 6.493 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 18.442 -22.629 8.419 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 18.682 -21.779 8.039 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 19.062 -23.239 8.019 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 24.254 7.265 -6.629 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 24.724 6.545 -6.209 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 23.344 7.145 -6.389 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 14.306 -6.633 6.825 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 13.556 -6.163 7.195 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 14.416 -6.243 5.955 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.244 -20.767 -13.833 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.304 -19.977 -14.363 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.314 -20.467 -12.933 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 0.653 -6.443 21.853 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 1.323 -6.123 22.463 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 -0.167 -6.353 22.333 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 20.237 19.711 -0.207 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 20.697 20.391 -0.697 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 19.917 19.111 -0.877 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 20.392 3.984 -21.111 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 20.452 3.084 -20.781 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 19.482 4.224 -20.981 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.200 -19.146 -0.605 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 -0.200 -18.586 0.065 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.200 -18.616 -1.395 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 0.285 6.414 22.173 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 -0.615 6.254 21.893 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 0.805 6.364 21.373 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 5.243 -14.528 -21.505 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 5.543 -15.418 -21.685 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 5.363 -14.408 -20.565 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -14.677 -5.216 -6.529 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -14.117 -5.946 -6.799 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -15.477 -5.326 -7.049 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 17.052 1.969 -2.823 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 16.762 2.619 -2.183 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 16.642 1.149 -2.533 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -13.765 25.479 -4.991 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -13.905 24.789 -4.331 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -14.345 25.229 -5.711 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 -0.209 11.233 -13.089 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 0.051 10.483 -12.549 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 -0.029 10.943 -13.989 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -15.019 -0.192 -2.275 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -15.539 0.318 -2.895 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -14.599 0.458 -1.715 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -16.507 23.902 8.619 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -16.417 24.852 8.469 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -15.857 23.512 8.039 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -4.345 20.696 -21.449 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -4.715 20.806 -20.569 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -4.565 19.796 -21.679 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 -3.795 21.317 24.575 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 -4.675 20.937 24.635 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 -3.315 20.907 25.295 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 -16.359 -9.094 -4.792 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 -16.619 -8.174 -4.872 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 -17.029 -9.484 -4.242 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -2.153 19.754 -13.681 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -2.703 19.204 -13.131 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -1.863 20.464 -13.111 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.116 16.345 -0.572 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.246 16.025 -0.812 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.656 16.195 -1.352 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -16.346 -18.685 23.938 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -15.676 -19.065 23.368 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -15.926 -17.905 24.298 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 -13.017 -12.737 -15.207 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -12.277 -12.187 -15.477 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -12.667 -13.257 -14.477 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 -20.215 5.280 22.611 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 -19.715 4.600 23.061 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 -19.845 5.280 21.721 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 -12.986 21.945 24.269 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 -12.596 21.825 25.139 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 -12.286 22.325 23.739 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 -3.007 -3.537 -21.555 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 -2.977 -2.687 -21.995 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 -2.647 -4.147 -22.195 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -23.785 -22.418 -10.343 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -24.615 -22.018 -10.103 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -23.995 -23.348 -10.473 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 23.982 13.164 -4.656 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 23.292 13.304 -5.306 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 23.662 13.624 -3.876 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -0.171 -7.118 -23.259 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 0.039 -7.528 -24.089 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 0.669 -6.778 -22.939 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -11.346 20.007 -8.527 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -11.016 19.447 -7.827 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -11.216 20.907 -8.207 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 22.121 -13.985 -23.545 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 22.681 -13.905 -24.325 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 21.951 -13.085 -23.275 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -0.566 -17.680 -5.953 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -0.246 -17.180 -5.203 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -0.316 -17.160 -6.713 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -18.864 15.238 -10.828 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -18.494 14.518 -11.348 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -19.704 14.898 -10.508 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 8.517 -17.965 18.451 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 7.887 -18.475 18.951 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 8.337 -17.055 18.691 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -22.803 -22.536 -15.143 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -22.223 -21.786 -15.303 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -23.583 -22.156 -14.743 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 20.451 17.112 -17.281 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 20.091 16.482 -16.651 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 19.731 17.312 -17.871 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 -25.384 -14.267 -7.631 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 -25.334 -15.217 -7.551 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 -24.794 -14.047 -8.351 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 -5.417 20.601 -18.979 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 -5.237 20.981 -18.119 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 -6.337 20.821 -19.149 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 -18.079 11.821 -17.407 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 -18.599 11.561 -18.167 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 -18.389 12.711 -17.207 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 17.840 1.783 -7.085 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 17.950 1.233 -7.865 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 17.370 1.233 -6.465 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 -17.616 14.543 -16.993 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 -16.736 14.313 -16.683 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 -17.526 15.453 -17.283 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -24.793 17.481 -2.125 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -24.333 16.681 -2.355 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -25.423 17.621 -2.835 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 15.117 16.956 20.083 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 14.957 17.616 19.413 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 14.777 17.356 20.893 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.851 -5.808 4.933 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.021 -5.328 4.853 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 23.511 -5.128 5.033 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 14.693 22.603 -0.383 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 13.763 22.403 -0.353 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 15.063 22.173 0.387 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 -6.681 -0.989 -8.419 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 -5.871 -0.679 -8.019 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 -6.761 -0.489 -9.229 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 9.973 -21.387 -17.682 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 9.083 -21.627 -17.932 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 10.233 -20.727 -18.332 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -4.237 -0.965 -19.871 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -4.527 -1.675 -20.441 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -3.297 -0.895 -20.041 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -12.825 -0.938 -10.327 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -12.715 -1.578 -11.027 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -13.035 -1.448 -9.547 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 -7.866 -12.345 0.788 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 -8.756 -12.115 0.538 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 -7.356 -11.555 0.618 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -22.875 -19.876 9.363 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -23.805 -19.776 9.603 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -22.865 -20.596 8.733 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -18.601 17.564 8.996 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -18.881 18.424 8.676 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -17.831 17.354 8.456 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 20.146 24.273 17.765 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 19.976 24.333 16.825 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 20.416 25.153 18.015 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -10.466 13.364 -11.305 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.636 13.774 -11.545 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -10.446 12.504 -11.705 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 21.432 -25.015 12.305 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 21.182 -25.245 11.405 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 20.652 -24.615 12.675 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 22.645 10.971 19.951 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 22.435 11.711 20.521 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 21.805 10.691 19.591 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -12.276 0.727 -25.127 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -11.886 0.687 -24.247 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -11.546 0.937 -25.707 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 -13.357 -15.387 12.219 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 -13.877 -16.167 12.409 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 -13.057 -15.517 11.319 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -21.528 -4.366 0.839 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -22.158 -3.806 0.399 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -21.558 -5.196 0.349 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 16.952 19.375 12.287 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 16.342 18.715 12.617 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 17.512 19.585 13.027 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 13.634 -9.920 -11.582 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 13.094 -10.610 -11.202 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 14.524 -10.290 -11.592 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 -15.593 -12.246 1.823 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 -15.893 -11.476 2.293 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 -16.383 -12.776 1.693 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 18.694 24.786 -4.247 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 19.124 23.936 -4.327 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 17.834 24.586 -3.877 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -8.713 -5.497 25.313 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -7.963 -5.467 24.713 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -9.423 -5.107 24.813 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 -23.275 16.509 23.142 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 -23.275 16.629 22.192 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 -24.095 16.909 23.422 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -1.578 25.044 -8.581 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -1.098 24.874 -9.391 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -2.498 24.954 -8.831 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 17.652 19.657 20.173 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 17.002 19.747 20.873 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 18.432 19.327 20.623 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -3.657 0.564 0.711 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -2.857 0.854 0.261 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -4.347 1.124 0.371 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 18.281 19.035 -14.885 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 18.341 18.075 -14.895 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 19.161 19.315 -14.635 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 20.254 14.807 -24.613 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 21.004 15.307 -24.923 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 19.974 15.257 -23.823 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 0.293 -4.319 -2.099 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 0.343 -3.619 -2.749 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 0.853 -5.009 -2.449 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 9.296 19.041 -23.311 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 9.736 19.761 -22.851 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 9.206 18.361 -22.651 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 18.785 -22.376 -16.899 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 17.995 -22.006 -16.489 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 18.625 -22.276 -17.839 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 25.180 12.504 -18.711 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 25.810 12.344 -19.421 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 24.550 11.794 -18.791 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 13.873 19.133 -0.343 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 13.363 19.263 0.457 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 14.203 18.233 -0.273 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.276 -10.722 -7.807 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 2.586 -10.412 -8.397 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 3.676 -11.452 -8.277 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -7.807 16.807 -17.879 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -8.127 17.127 -17.039 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -7.257 17.517 -18.209 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 22.125 8.692 21.173 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 21.775 8.932 20.313 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 22.935 9.182 21.243 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 -14.046 -8.955 8.611 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 -14.006 -9.895 8.791 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 -13.976 -8.895 7.661 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 3.530 -16.093 13.465 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 3.310 -16.003 12.535 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 4.490 -16.023 13.495 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.148 -6.155 10.327 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -15.488 -6.595 9.787 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -16.648 -6.875 10.707 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 19.953 -23.299 21.233 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.493 -24.129 21.303 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 19.303 -22.639 21.483 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 21.486 11.104 -8.377 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 22.006 11.844 -8.067 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 22.096 10.584 -8.907 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 -23.324 11.582 -6.705 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 -23.584 11.972 -7.545 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 -22.634 12.162 -6.385 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 22.806 9.317 24.571 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 22.946 8.787 25.361 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 21.936 9.707 24.701 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -12.587 -24.578 11.559 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -13.057 -25.408 11.679 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -12.177 -24.408 12.399 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 13.795 -10.393 5.441 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 13.835 -10.353 6.401 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 14.705 -10.433 5.161 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 -21.816 20.772 -3.887 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 -21.296 21.142 -3.177 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 -22.566 20.362 -3.447 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 -19.064 9.603 2.627 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 -18.664 8.773 2.887 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 -19.444 9.943 3.437 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -4.400 -16.878 -8.516 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -4.600 -16.108 -9.056 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -4.250 -17.578 -9.146 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 13.687 -14.241 -1.581 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 13.037 -14.351 -0.891 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 13.797 -13.291 -1.661 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 -13.651 16.945 22.303 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 -13.731 15.995 22.193 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 -13.681 17.295 21.413 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.447 -22.893 16.915 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.467 -23.623 16.295 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 16.787 -23.153 17.565 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 12.916 18.270 7.663 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 12.746 18.940 7.003 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 13.876 18.190 7.683 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 18.763 -17.736 -18.551 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 18.963 -16.956 -18.031 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 18.473 -18.386 -17.901 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -12.488 -17.366 -22.403 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -11.978 -16.986 -21.683 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -12.118 -16.956 -23.183 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -6.627 21.894 -16.887 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -6.487 22.554 -16.197 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -6.637 22.404 -17.697 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -12.304 13.832 -13.481 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -13.184 14.172 -13.301 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -11.724 14.342 -12.921 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 -0.147 9.834 2.479 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 0.053 10.424 1.759 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 -0.777 9.214 2.109 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 22.159 15.380 2.333 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 21.669 16.150 2.043 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 22.839 15.720 2.903 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 18.864 -22.983 -3.247 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 19.654 -22.703 -2.777 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 19.144 -23.083 -4.157 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 2.599 9.580 8.549 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 2.469 9.980 7.689 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 2.269 8.690 8.449 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 0.441 7.314 -18.579 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 0.061 7.634 -19.389 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -0.289 6.934 -18.099 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -1.854 -6.826 2.079 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -1.484 -6.526 1.249 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -1.424 -7.666 2.239 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -2.413 -11.618 -5.415 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -1.583 -11.688 -5.875 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -2.403 -10.738 -5.035 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 17.641 17.222 -18.853 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 17.461 18.072 -19.253 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 18.091 16.722 -19.533 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 1.027 9.452 -16.033 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 1.107 8.842 -15.303 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 0.767 8.922 -16.773 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 4.854 -22.979 17.841 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 5.154 -22.089 17.631 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 4.064 -23.089 17.321 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 16.784 -21.186 -3.269 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 17.294 -20.476 -3.679 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 17.414 -21.906 -3.189 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -24.421 -24.170 0.209 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -24.291 -25.060 -0.121 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -23.551 -23.910 0.529 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -9.415 -0.478 -8.157 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.485 -0.688 -8.137 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 0.022 -7.357 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 14.905 -18.706 20.453 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 14.385 -17.946 20.723 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 15.805 -18.406 20.463 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 2.312 -14.226 6.771 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 2.842 -14.216 5.981 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 2.902 -13.926 7.461 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 24.555 -23.295 -12.643 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 23.935 -23.505 -11.943 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 24.515 -24.045 -13.233 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -21.313 8.416 9.497 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -21.573 7.526 9.277 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -22.123 8.926 9.487 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 19.963 -7.168 6.261 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 20.633 -6.558 6.591 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 20.243 -8.028 6.581 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 11.504 -18.957 -15.661 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 11.404 -18.717 -14.751 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 11.294 -19.897 -15.691 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 -24.585 -2.786 -18.735 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 -25.525 -2.896 -18.625 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 -24.195 -3.236 -17.995 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -7.237 -13.335 23.907 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -7.197 -12.895 23.067 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -6.987 -12.665 24.547 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -16.676 3.112 -6.921 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -16.756 3.412 -6.021 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 -17.026 2.222 -6.921 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 4.804 -2.027 0.415 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 5.054 -2.957 0.415 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 5.604 -1.567 0.165 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 10.774 -8.277 7.178 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 10.094 -8.357 6.508 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 10.584 -7.437 7.608 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 20.403 7.201 24.407 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 19.923 8.031 24.317 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 19.743 6.581 24.727 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -24.198 21.182 -13.067 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -23.358 20.732 -13.217 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -24.798 20.792 -13.707 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 -6.364 9.473 -24.216 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 -5.864 10.043 -24.796 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 -6.834 8.883 -24.796 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 -15.234 -7.417 -23.961 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 -15.814 -6.767 -24.341 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 -15.534 -7.507 -23.051 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -21.759 -18.185 6.417 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -21.189 -18.315 7.167 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -21.629 -18.965 5.877 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 9.680 -4.359 -6.677 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 10.140 -3.909 -5.967 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 10.230 -5.109 -6.877 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 -18.545 -2.317 -3.651 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 -18.175 -3.187 -3.501 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 -17.895 -1.877 -4.201 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -5.958 -3.138 -5.259 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -5.378 -2.558 -5.759 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -5.638 -4.018 -5.449 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -21.777 -15.654 -5.529 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -21.597 -15.714 -6.469 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -21.577 -14.754 -5.299 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 8.532 4.643 6.167 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 8.742 5.533 5.907 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 9.312 4.343 6.647 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 14.903 -18.214 6.473 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 14.193 -18.854 6.603 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 15.333 -18.484 5.663 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -12.323 6.977 -13.747 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -11.643 6.487 -13.277 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -13.133 6.717 -13.327 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 -10.648 -1.539 -17.471 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 -10.568 -2.499 -17.471 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 -10.878 -1.319 -16.571 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 15.522 24.906 23.718 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 15.932 24.586 22.918 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 14.782 25.436 23.408 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 4.065 7.076 -24.853 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 4.495 6.536 -25.513 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 3.455 7.626 -25.353 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 10.906 -23.897 -12.901 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 10.736 -23.067 -13.331 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 11.396 -24.407 -13.541 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 4.063 8.707 -16.961 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 3.733 9.187 -16.201 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 3.863 9.267 -17.711 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 -17.824 -14.911 14.471 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 -16.874 -14.831 14.551 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 -17.974 -15.841 14.301 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 -18.676 21.286 8.959 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 -18.706 21.816 9.749 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 -18.876 20.396 9.249 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 -14.304 16.356 14.899 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 -14.884 16.456 14.149 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -13.494 16.796 14.629 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 8.395 5.666 -3.569 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 7.665 6.216 -3.269 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.875 5.456 -2.769 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -8.025 10.125 -12.607 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -7.425 9.835 -11.917 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -8.105 11.065 -12.467 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 20.715 -1.275 -1.599 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 20.755 -2.115 -2.059 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 21.585 -0.895 -1.719 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 18.795 -10.821 8.129 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 19.755 -10.811 8.209 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 18.495 -10.181 8.769 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -2.840 16.375 16.401 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -3.700 16.775 16.541 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -2.450 16.325 17.271 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 -3.194 -15.379 -6.587 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 -3.904 -14.739 -6.527 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 -3.574 -16.109 -7.077 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 4.736 1.535 8.418 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 4.636 2.475 8.508 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 4.016 1.275 7.838 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 22.254 -8.478 3.653 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 21.314 -8.438 3.513 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 22.454 -7.678 4.153 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 -6.248 2.333 -3.907 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 -5.618 2.703 -3.297 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 -5.788 2.283 -4.737 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 3.745 9.032 19.371 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 4.065 9.512 20.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 4.495 8.992 18.771 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 15.043 -5.667 24.904 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 14.923 -6.257 24.165 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 15.703 -6.097 25.455 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 14.847 -13.482 -24.759 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 15.447 -13.192 -24.079 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 14.527 -14.342 -24.469 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 0.934 -21.179 -19.169 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 0.364 -21.219 -19.939 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 1.144 -22.089 -18.979 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 -17.755 -5.474 4.651 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 -17.225 -6.264 4.541 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 -18.395 -5.704 5.321 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 -18.063 14.808 20.885 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 -18.183 15.718 21.145 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 -18.883 14.568 20.455 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 0.525 -10.103 14.231 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 1.405 -10.063 14.601 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 0.545 -9.493 13.491 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 -22.849 15.317 5.405 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 -22.219 15.587 4.735 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 -22.299 14.977 6.115 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 21.703 -6.773 -13.291 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 22.023 -6.293 -14.051 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 21.173 -6.143 -12.811 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 8.696 -4.328 12.498 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 7.836 -4.648 12.228 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 8.506 -3.698 13.198 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -9.288 -0.828 -22.777 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -10.228 -0.758 -22.917 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -9.048 -1.678 -23.147 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 19.796 11.865 20.999 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 19.656 10.995 21.379 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 18.916 12.205 20.849 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 17.773 -8.697 -21.213 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 17.303 -8.357 -20.443 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 17.783 -9.647 -21.083 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 0.053 2.383 -10.803 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 -0.877 2.233 -11.003 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 0.473 2.433 -11.653 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.190 9.493 -4.419 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 24.120 9.673 -4.539 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 23.090 8.563 -4.639 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 17.593 2.016 5.631 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 16.693 2.306 5.471 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 17.613 1.106 5.331 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 -10.176 1.033 1.387 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 -10.056 0.903 2.327 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 -9.866 1.923 1.227 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 10.715 -8.286 -24.262 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 11.335 -8.956 -23.962 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 10.335 -8.656 -25.062 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 -21.475 -8.312 -19.653 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 -22.045 -8.292 -18.873 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 -21.785 -7.582 -20.193 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -17.625 -10.134 -22.293 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -17.945 -10.624 -21.543 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -18.295 -9.474 -22.453 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 0.046 -5.541 9.443 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 0.516 -5.151 8.713 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 0.226 -6.481 9.383 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 -10.285 -18.679 23.321 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 -10.445 -17.939 23.901 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 -10.885 -18.539 22.581 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 6.493 -20.192 2.728 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 7.313 -20.162 3.228 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 6.743 -19.932 1.838 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -25.215 19.364 13.045 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -24.685 19.744 12.345 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -25.695 20.114 13.415 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 0.672 20.917 -12.753 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 1.422 20.617 -13.263 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 0.572 20.257 -12.063 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -1.017 -15.540 -8.255 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -1.747 -15.520 -7.635 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -0.797 -14.610 -8.375 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 21.536 -21.610 -8.007 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 20.616 -21.850 -8.117 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 21.716 -21.810 -7.087 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 11.685 -8.955 4.368 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 11.685 -8.575 5.248 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 12.575 -9.285 4.248 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 11.237 -2.018 -12.185 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 10.967 -2.038 -11.275 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 12.067 -2.488 -12.205 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 -13.493 7.774 -20.045 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 -13.083 8.614 -19.815 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 -14.323 8.014 -20.455 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 10.263 0.047 -10.641 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 10.743 0.027 -11.471 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 9.343 -0.083 -10.891 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 -16.897 -15.130 -10.124 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 -17.487 -15.880 -10.054 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 -16.767 -14.850 -9.214 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 -20.494 18.132 -14.113 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 -21.094 18.872 -14.213 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 -21.034 17.422 -13.753 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 13.569 2.805 -19.095 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 13.689 3.075 -18.185 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 13.259 1.905 -19.045 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -15.776 -23.576 -25.101 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -15.766 -24.286 -24.461 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -15.936 -22.786 -24.581 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 10.900 -24.824 -6.473 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 10.190 -25.304 -6.913 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 11.700 -25.204 -6.843 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 -11.328 -10.906 -9.701 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 -11.578 -11.636 -10.271 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 -12.028 -10.866 -9.041 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -16.135 -16.396 10.917 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -16.075 -15.956 10.077 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -16.895 -15.996 11.347 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 15.199 -7.467 -18.463 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 14.779 -8.287 -18.213 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 15.009 -6.877 -17.723 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -18.451 -14.644 22.591 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -17.991 -15.484 22.531 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -17.781 -14.024 22.861 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -23.451 13.824 -12.695 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -24.231 13.294 -12.815 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -22.781 13.394 -13.225 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 14.883 -20.248 12.064 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 14.783 -19.708 12.854 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 15.793 -20.108 11.804 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 16.916 8.106 11.755 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 16.146 7.916 12.285 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 16.566 8.246 10.875 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 2.167 15.576 11.977 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 1.997 14.636 12.077 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.177 15.916 12.877 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 -3.755 -6.981 -17.977 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 -4.295 -6.191 -17.897 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 -3.915 -7.471 -17.177 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 18.511 -2.581 2.338 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 18.491 -2.381 1.398 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 17.811 -3.221 2.458 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -23.209 -16.494 8.827 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -23.069 -17.304 8.337 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -23.479 -16.794 9.697 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 24.522 -23.336 3.949 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 24.042 -23.926 3.359 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 25.442 -23.546 3.799 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 19.159 -8.256 9.553 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 19.719 -7.846 8.893 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 19.629 -9.056 9.803 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -6.475 -9.439 -5.772 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -6.325 -10.349 -5.492 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -7.395 -9.269 -5.532 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 16.763 -22.551 -6.257 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 16.913 -22.471 -5.317 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 15.813 -22.441 -6.357 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 12.626 -10.838 14.007 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 12.076 -10.298 13.437 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 12.396 -11.738 13.777 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -15.844 13.494 14.513 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -15.104 13.914 14.063 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -15.484 12.674 14.853 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 11.196 12.855 -5.752 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 11.556 12.975 -6.632 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 11.836 12.295 -5.312 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 8.243 -13.481 -3.963 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 8.633 -14.251 -4.373 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 8.393 -13.611 -3.023 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 9.295 11.995 -4.305 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 8.945 12.875 -4.175 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 9.995 12.105 -4.945 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 19.271 -14.774 16.479 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 18.891 -13.924 16.699 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 19.381 -14.744 15.529 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -3.623 -12.927 2.613 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -2.903 -13.537 2.413 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -4.103 -13.357 3.323 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 -21.113 7.532 18.771 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 -21.613 8.302 18.521 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 -21.643 6.792 18.491 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -22.583 9.476 -9.275 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -23.533 9.596 -9.365 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -22.203 10.216 -9.745 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 -9.674 -12.073 3.419 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 -9.264 -11.223 3.569 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 -9.894 -12.073 2.489 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 -4.854 -12.725 -20.806 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 -4.484 -13.545 -20.466 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 -4.484 -12.635 -21.686 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 18.637 6.056 22.301 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 18.097 6.756 22.651 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 18.017 5.376 22.041 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 17.074 13.253 -20.421 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 17.554 13.783 -19.781 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 17.544 13.383 -21.241 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -18.206 18.573 14.195 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -18.096 18.813 13.275 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -17.906 17.673 14.255 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 4.204 23.713 7.471 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 4.854 23.343 8.071 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 3.444 23.133 7.551 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 -25.034 14.232 -16.657 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 -25.244 13.962 -17.557 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 -25.284 13.492 -16.117 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 0.297 15.098 -21.393 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 -0.583 14.728 -21.333 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 0.467 15.168 -22.333 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 7.773 -9.143 -24.022 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 7.303 -9.933 -24.292 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 7.963 -8.683 -24.842 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -19.404 19.003 -23.979 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -19.264 18.323 -23.319 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -18.754 19.673 -23.779 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 13.963 -9.474 19.179 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 14.913 -9.584 19.059 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 13.573 -10.064 18.529 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -6.467 -8.679 9.205 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -5.847 -8.449 8.515 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -5.957 -8.629 10.015 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 -5.989 18.456 11.259 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 -6.239 19.216 11.779 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 -5.609 18.816 10.459 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 6.381 -16.635 23.679 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 7.161 -16.755 23.129 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 6.221 -17.495 24.069 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -1.207 -12.047 24.479 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -0.627 -11.287 24.419 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -0.627 -12.787 24.669 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 18.243 15.787 5.055 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 17.393 16.047 5.395 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 18.173 14.837 4.945 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 4.255 -13.949 -17.559 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 3.885 -13.279 -16.979 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 3.495 -14.329 -17.999 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 -24.575 -22.184 15.081 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 -24.055 -22.314 14.281 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 -24.805 -21.264 15.061 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.065 16.985 -6.845 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.925 17.195 -6.475 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -21.435 17.345 -6.215 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 20.072 17.804 4.629 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 19.252 18.284 4.739 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 19.822 16.884 4.729 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 -20.535 -23.615 -13.373 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 -20.905 -22.915 -13.913 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 -20.825 -24.425 -13.793 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -12.365 1.774 -10.657 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -12.555 2.174 -9.797 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -12.755 0.904 -10.607 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 -11.715 14.877 2.581 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 -11.135 14.167 2.291 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 -11.185 15.677 2.471 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 -17.899 -18.583 -2.207 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 -18.509 -17.993 -1.777 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 -17.759 -19.283 -1.577 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 7.087 24.572 -0.347 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 6.957 24.622 -1.297 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 6.577 23.812 -0.077 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -0.017 19.314 8.765 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -0.667 18.944 8.165 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -0.167 18.864 9.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -21.653 -1.436 18.411 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -22.093 -2.286 18.411 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -20.743 -1.646 18.201 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 -11.404 7.397 -9.251 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 -10.554 7.177 -9.641 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 -11.374 8.347 -9.111 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 22.025 -17.519 24.444 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 22.945 -17.239 24.424 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 22.075 -18.469 24.574 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -6.074 20.345 3.971 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -6.334 19.415 4.011 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 -5.134 20.335 4.101 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -20.267 -13.935 4.845 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.947 -14.675 4.315 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -20.847 -14.335 5.495 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 3.956 -1.485 -20.205 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 4.296 -0.635 -19.935 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 4.626 -1.835 -20.785 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 13.913 -11.386 -2.551 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 13.953 -10.476 -2.841 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 13.053 -11.696 -2.851 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -10.286 -17.228 -2.018 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -9.416 -16.838 -2.068 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -10.656 -17.108 -2.888 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 22.937 8.023 9.565 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 22.217 7.413 9.405 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 23.727 7.493 9.445 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 11.669 13.517 13.034 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 11.289 14.177 12.464 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 12.339 13.987 13.524 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -24.463 -1.743 3.287 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -23.733 -1.993 2.727 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -24.973 -1.133 2.757 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 -1.806 -24.407 13.929 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 -1.406 -24.357 14.789 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 -1.656 -25.307 13.639 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 21.105 -19.324 -18.385 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 21.075 -20.194 -17.975 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 21.935 -18.954 -18.095 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 14.894 -17.194 -6.239 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 14.054 -17.414 -6.649 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 14.664 -16.574 -5.549 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 -13.615 10.247 22.493 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 -13.865 9.667 21.773 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 -14.335 10.177 23.123 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 -17.027 6.145 -7.007 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 -16.857 6.915 -7.557 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 -16.177 5.935 -6.627 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 6.925 8.855 -17.067 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 7.025 8.735 -18.017 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 5.995 9.025 -16.937 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -23.143 0.062 6.017 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -23.153 0.312 6.937 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -23.963 -0.428 5.887 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 -18.554 23.783 -12.051 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 -17.874 23.733 -11.381 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 -19.224 24.353 -11.671 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -21.385 -9.815 -16.905 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -20.505 -9.775 -17.285 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -21.755 -10.635 -17.235 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -4.309 -18.827 -21.665 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -5.059 -19.327 -21.355 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -3.959 -19.327 -22.395 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 1.026 -8.408 -9.225 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 1.786 -7.838 -9.135 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 0.496 -7.998 -9.905 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 24.769 -16.406 -13.809 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 25.119 -16.386 -14.699 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 24.169 -17.156 -13.809 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -7.437 22.676 1.393 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -7.167 21.796 1.673 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -6.707 22.986 0.853 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 -18.476 11.143 -6.005 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 -18.026 11.823 -6.495 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 -19.046 10.713 -6.645 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 -19.729 -3.514 14.123 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 -19.269 -3.484 13.283 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 -20.609 -3.204 13.923 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 -18.073 25.132 -24.581 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 -18.953 25.042 -24.941 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 -18.163 24.952 -23.651 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 -21.844 -0.096 -15.441 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 -22.594 0.284 -14.981 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 -21.304 0.654 -15.681 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 -1.109 23.071 -15.203 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 -0.669 22.571 -14.523 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 -1.319 22.431 -15.883 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 -10.616 -24.424 16.343 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 -10.526 -25.364 16.173 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 -9.736 -24.144 16.613 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 14.842 4.769 0.308 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 15.582 5.359 0.148 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 14.922 4.089 -0.362 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -6.466 -7.875 -24.155 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -6.576 -8.825 -24.256 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -7.356 -7.525 -24.196 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 -7.038 -7.235 2.744 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 -6.108 -7.015 2.675 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 -7.488 -6.515 2.284 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 -20.365 -21.956 20.729 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 -20.105 -22.866 20.609 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 -21.165 -21.996 21.259 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 16.360 24.965 1.183 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 16.920 25.645 0.823 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 16.960 24.285 1.473 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.076 -22.395 -14.247 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 19.706 -22.125 -15.087 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.016 -22.495 -14.417 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 11.145 -1.775 -23.873 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 11.195 -2.085 -24.783 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 12.055 -1.595 -23.633 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 -4.126 -14.265 -9.833 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 -4.066 -14.095 -10.773 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 -3.766 -13.475 -9.423 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 6.752 0.374 17.278 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 7.142 0.254 18.148 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 5.842 0.094 17.388 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 0.306 -12.026 4.183 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -0.614 -12.036 4.433 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 0.756 -12.516 4.873 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 -20.614 10.987 -22.493 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 -20.554 10.687 -23.393 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 -21.314 10.447 -22.103 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 14.695 0.417 11.193 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 14.365 1.197 10.753 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 15.645 0.447 11.053 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 24.515 -13.606 13.903 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 23.945 -13.316 13.193 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 24.765 -14.496 13.663 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 0.115 6.036 2.569 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 0.745 5.346 2.349 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 0.245 6.706 1.899 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 -8.914 -11.346 -20.327 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 -9.264 -10.676 -20.917 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 -9.504 -11.336 -19.577 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 20.594 -3.930 4.675 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 21.264 -3.280 4.885 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 19.914 -3.430 4.225 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 0.795 -6.248 6.523 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 1.225 -5.758 5.823 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 -0.095 -6.398 6.203 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 -8.031 -16.224 -22.426 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 -7.831 -17.094 -22.766 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 -7.511 -16.154 -21.626 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 -13.690 3.110 17.863 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 -13.510 2.390 17.263 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 -12.840 3.500 18.043 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 8.823 18.762 -19.967 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 9.353 19.282 -20.567 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 9.273 17.912 -19.917 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 -8.194 20.463 -20.056 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 -9.134 20.633 -19.936 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 -8.134 19.503 -20.096 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 -1.816 17.737 4.889 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 -1.666 17.247 5.699 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 -1.266 17.287 4.239 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 19.762 -23.859 -11.586 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 19.372 -23.189 -12.146 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 19.332 -24.669 -11.846 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -21.479 -1.335 0.704 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -21.429 -2.025 1.364 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -21.349 -0.525 1.184 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 0.153 17.413 11.569 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 0.613 16.683 11.979 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -0.447 16.993 10.959 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 15.983 7.250 -18.454 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 16.743 7.730 -18.114 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 15.363 7.940 -18.704 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 -23.880 19.291 8.161 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 -24.470 20.011 7.921 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 -24.350 18.501 7.931 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -19.465 21.975 11.241 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -19.385 22.875 11.551 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -19.695 21.465 12.011 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -5.505 -20.345 -9.733 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -4.775 -19.915 -10.173 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -5.165 -20.585 -8.873 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -22.290 21.680 -21.222 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -22.640 21.790 -20.332 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -23.020 21.300 -21.712 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 -7.033 4.943 0.214 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 -7.213 5.833 -0.096 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 -7.893 4.613 0.494 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 19.681 -19.559 -24.785 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 20.021 -18.679 -24.935 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 18.911 -19.429 -24.225 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 -6.616 -17.515 2.809 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 -6.576 -16.555 2.809 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 -7.546 -17.725 2.689 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 9.344 0.526 18.375 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 8.924 1.326 18.065 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 10.274 0.646 18.175 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 10.802 20.951 12.875 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 11.592 20.551 12.505 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 11.092 21.801 13.185 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 11.894 -23.580 9.423 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 11.444 -22.880 8.963 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 11.354 -23.730 10.203 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 -21.084 6.062 5.591 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 -21.274 5.182 5.271 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 -21.924 6.522 5.551 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -2.191 18.932 -19.934 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -1.871 18.392 -20.654 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -2.471 19.742 -20.354 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 -2.794 -13.007 10.159 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 -1.944 -12.597 10.259 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 -3.144 -12.617 9.349 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 18.535 -20.007 14.023 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 18.665 -20.947 13.953 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 18.405 -19.717 13.123 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 -10.104 14.694 -7.487 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 -9.364 14.634 -6.867 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 -10.854 14.354 -6.997 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 -7.634 23.663 -18.584 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 -7.414 23.913 -19.484 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 -8.234 22.923 -18.684 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 -15.027 -3.776 -13.379 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 -14.227 -3.326 -13.099 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 -15.717 -3.126 -13.289 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 -16.708 9.824 -23.699 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 -16.348 10.564 -23.209 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 -17.348 10.214 -24.289 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 25.215 12.052 7.357 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 25.025 12.322 8.257 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 24.465 11.512 7.107 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 -19.123 12.385 -3.102 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 -19.713 11.925 -3.702 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 -18.323 11.855 -3.092 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -12.454 -23.020 -3.611 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.984 -23.670 -4.071 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.974 -23.520 -2.951 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 23.676 22.997 -6.211 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 24.306 22.267 -6.251 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 23.696 23.277 -5.301 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 -1.765 5.156 -16.105 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 -0.875 4.876 -16.265 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 -1.755 5.486 -15.205 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 22.435 -16.937 15.803 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 22.225 -16.617 14.923 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 23.355 -16.677 15.933 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 1.776 24.278 -24.649 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 1.666 24.208 -25.599 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 0.876 24.308 -24.309 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 -13.294 5.747 -8.016 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 -12.414 6.107 -7.986 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 -13.854 6.497 -8.236 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 4.752 -2.876 15.197 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 4.322 -2.626 14.377 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 5.622 -2.456 15.137 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -1.431 9.276 15.983 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -0.701 8.716 15.703 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -1.891 9.496 15.163 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -18.567 3.754 -4.487 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -19.037 2.934 -4.317 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -19.107 4.204 -5.147 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 -23.436 13.274 2.063 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 -23.866 12.524 2.453 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 -22.986 13.704 2.803 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 1.319 -3.113 17.745 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 1.029 -4.023 17.735 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 1.179 -2.803 16.845 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 12.943 -0.186 6.833 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 12.203 -0.756 6.613 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 13.543 -0.736 7.323 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 24.774 18.185 2.573 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 24.444 17.965 1.693 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 24.264 17.645 3.163 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 -20.478 -20.860 -15.334 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 -20.108 -20.940 -14.464 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 -19.828 -21.240 -15.914 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -12.236 -1.378 -15.342 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -12.606 -1.428 -16.222 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -12.636 -0.608 -14.952 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 -25.177 6.267 23.113 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 -24.467 5.817 23.563 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 -25.947 6.107 23.663 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 8.801 11.517 2.289 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 8.391 12.367 2.159 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 9.741 11.697 2.279 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 13.834 17.796 4.513 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 14.704 17.996 4.153 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 13.354 18.616 4.433 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 -12.484 12.555 22.889 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 -12.914 11.705 22.929 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 -13.044 13.075 22.309 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 24.979 -9.772 -5.487 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 24.459 -10.582 -5.517 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 24.369 -9.102 -5.207 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -11.236 -3.625 24.816 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.376 -4.345 24.196 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.066 -3.535 25.276 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 6.330 4.394 -13.585 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 6.810 4.814 -12.875 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 6.080 5.114 -14.165 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 2.135 5.755 16.711 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 1.215 5.745 16.971 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 2.145 5.305 15.861 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 -16.847 -7.618 1.649 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 -16.527 -6.718 1.759 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 -16.237 -8.018 1.039 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 13.697 -12.955 22.949 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 13.587 -12.675 23.859 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 14.207 -13.765 23.009 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 -7.716 5.352 -3.111 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 -7.176 4.692 -3.551 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 -7.086 6.012 -2.821 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 9.459 -21.552 24.455 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 8.509 -21.682 24.365 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 9.709 -22.152 25.165 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 20.790 -14.035 1.929 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 20.910 -13.545 1.109 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 20.440 -14.875 1.649 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 24.971 -24.101 19.117 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 25.581 -24.511 19.727 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 24.231 -24.701 19.087 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 -25.365 0.229 -4.213 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 -24.675 -0.341 -4.573 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 -25.715 0.689 -4.973 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 19.113 -22.548 4.481 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 18.763 -23.198 5.091 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 19.343 -21.798 5.031 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 -5.549 14.241 -15.449 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 -4.829 14.871 -15.379 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 -5.299 13.671 -16.179 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 24.335 1.592 19.553 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 24.335 2.302 18.913 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 24.165 2.032 20.393 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 8.333 14.591 1.945 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 9.013 15.261 2.004 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 7.673 14.861 2.574 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 11.887 -9.597 10.887 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 11.167 -8.977 10.737 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 12.607 -9.047 11.187 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 -13.973 8.374 -0.907 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 -14.503 7.664 -0.537 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 -13.793 8.954 -0.167 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 16.003 24.777 -2.022 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 15.923 24.217 -1.252 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 15.473 24.347 -2.692 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 -18.369 -23.319 -22.052 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 -17.629 -22.769 -22.332 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 -19.109 -22.989 -22.562 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 4.190 -0.533 3.131 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 4.580 0.247 2.721 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 4.540 -0.523 4.021 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 15.764 7.824 22.071 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 15.274 7.214 21.501 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 16.344 8.294 21.471 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 15.744 -17.944 13.775 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 16.634 -17.604 13.685 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 15.804 -18.594 14.475 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 20.554 10.495 6.691 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 19.864 9.995 7.131 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 20.364 11.415 6.901 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 9.803 -4.576 9.965 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 9.743 -5.196 10.695 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 10.673 -4.196 10.045 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 23.810 -1.658 9.638 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 23.200 -2.238 9.168 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 23.800 -1.988 10.538 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 -24.463 8.334 14.935 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 -24.473 9.204 15.345 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 -23.733 8.364 14.325 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 6.916 -21.440 -22.201 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 7.136 -21.890 -23.011 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 7.666 -21.600 -21.631 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 -15.085 -4.388 20.527 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 -15.275 -5.308 20.397 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 -15.375 -3.958 19.717 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 4.223 6.629 -13.659 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 5.043 6.849 -14.099 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 4.223 7.169 -12.869 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 18.465 15.717 17.855 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 17.995 16.547 17.765 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 19.385 15.947 17.745 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 -7.935 7.164 18.489 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 -7.255 6.724 17.979 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 -8.705 7.144 17.929 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 -18.357 -6.886 7.708 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 -17.907 -6.186 8.178 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 -19.177 -7.006 8.198 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 15.323 -23.247 -3.339 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 15.413 -23.877 -2.629 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 15.723 -22.447 -3.009 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -12.527 22.956 16.365 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -12.297 22.576 15.525 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -12.867 23.826 16.155 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -18.264 -21.307 10.443 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -17.944 -21.917 11.113 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 -18.814 -20.687 10.933 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 2.984 -18.014 1.979 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 2.084 -18.024 1.679 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 3.264 -18.924 1.979 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 2.769 -18.788 10.967 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 2.509 -19.708 10.857 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 3.729 -18.818 10.967 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -15.994 2.721 -3.171 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -16.514 2.821 -3.961 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -16.614 2.861 -2.451 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 12.449 -5.266 -10.567 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 12.059 -6.116 -10.377 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 11.999 -4.656 -9.987 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 13.634 -9.547 24.815 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 13.634 -9.467 25.765 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 14.214 -8.847 24.515 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 3.743 14.305 -0.927 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 3.503 15.225 -0.897 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.433 13.995 -1.767 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -8.930 22.220 -2.629 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -9.720 22.730 -2.479 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -8.310 22.530 -1.969 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -0.904 -25.084 10.529 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -1.664 -25.524 10.899 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -1.104 -24.144 10.609 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 -13.713 -15.444 5.161 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 -13.953 -16.234 4.671 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 -13.733 -14.744 4.501 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -22.124 -0.416 -2.407 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -22.304 -0.096 -1.517 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -21.924 -1.336 -2.297 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 -13.328 -21.937 -23.559 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 -13.088 -21.597 -24.419 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 -12.908 -21.347 -22.939 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -24.695 -18.318 -1.772 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -24.185 -19.028 -2.152 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -24.065 -17.618 -1.632 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 17.964 5.275 -20.043 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 18.344 5.975 -19.523 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 17.154 5.045 -19.583 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 21.129 10.803 -20.125 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 20.969 9.983 -20.575 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 20.319 11.293 -20.215 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -1.527 15.948 10.075 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -2.417 15.838 9.755 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -1.257 15.078 10.355 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 -0.627 -8.432 16.601 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 -0.047 -8.662 15.881 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 -0.117 -7.802 17.121 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -12.309 4.363 -3.753 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -12.209 3.473 -4.083 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -11.599 4.853 -4.163 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 -23.445 23.903 -12.376 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 -24.065 23.383 -12.876 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 -22.855 24.273 -13.026 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 -6.384 -16.987 9.264 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 -6.964 -17.637 9.654 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 -5.824 -16.697 9.984 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 3.514 -23.157 8.175 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.634 -22.767 8.115 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 3.744 -23.387 7.275 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 -22.436 -15.535 15.485 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 -21.606 -15.565 15.965 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 -22.566 -14.605 15.285 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 -5.126 -22.860 18.133 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 -5.686 -23.630 18.263 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 -4.486 -22.910 18.853 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -15.186 24.162 5.633 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -15.696 24.872 5.243 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -14.466 24.592 6.083 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -17.817 -16.126 -0.149 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -17.177 -16.716 0.261 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -17.367 -15.786 -0.919 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -17.417 2.215 -1.099 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -18.147 1.865 -1.599 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -17.337 1.625 -0.349 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 -13.963 -9.838 -8.566 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 -14.613 -10.218 -7.986 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 -14.263 -10.078 -9.446 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 -18.884 9.256 -3.712 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 -18.194 8.586 -3.742 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 -18.644 9.876 -4.402 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 5.441 24.543 -21.633 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 6.361 24.833 -21.673 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 5.381 23.853 -22.293 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 22.783 8.485 -16.187 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 21.853 8.275 -16.107 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 23.073 8.605 -15.277 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 -23.771 19.490 0.827 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 -23.461 19.160 1.667 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 -24.701 19.680 0.967 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -3.957 7.744 -20.723 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -3.887 7.434 -21.623 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -4.687 8.364 -20.743 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 15.309 -6.849 -21.077 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 14.409 -7.089 -21.287 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 15.399 -7.029 -20.147 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 -6.003 -10.856 -1.103 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 -5.173 -11.166 -0.743 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 -6.003 -11.186 -2.003 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 17.366 -11.157 2.083 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 17.106 -11.097 3.003 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 18.026 -11.847 2.063 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 2.392 -23.318 -20.413 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 2.652 -23.428 -21.323 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 3.062 -22.738 -20.033 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 -23.933 16.045 10.333 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 -24.843 16.075 10.043 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 -23.583 15.235 9.963 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 24.139 -2.429 -21.497 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 23.369 -1.989 -21.137 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 24.639 -1.739 -21.917 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 24.123 -7.147 -0.627 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 23.363 -7.657 -0.887 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 23.863 -6.717 0.193 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 -1.196 5.336 -4.442 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 -1.446 4.636 -5.042 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 -1.646 6.116 -4.772 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -18.293 17.157 0.600 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -17.793 16.347 0.510 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -17.673 17.797 0.940 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -7.497 23.967 -8.201 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -8.197 24.227 -8.801 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -7.507 24.647 -7.521 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -3.933 -12.366 23.713 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -4.023 -12.856 22.893 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -3.213 -11.756 23.553 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -8.483 9.886 6.701 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -7.553 10.076 6.771 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -8.583 9.036 7.151 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 13.325 -2.267 16.478 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 13.685 -3.127 16.708 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 14.065 -1.787 16.108 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -19.919 -9.005 -21.949 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -20.419 -8.515 -21.299 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -20.499 -9.715 -22.219 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -9.865 -14.259 -6.113 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -9.285 -13.899 -5.453 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -9.615 -13.829 -6.933 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -12.093 17.874 14.194 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -11.743 17.744 13.304 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -11.473 18.484 14.595 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 12.874 -17.535 11.797 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 12.504 -18.145 12.437 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 13.674 -17.955 11.487 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 -24.630 17.085 6.637 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 -23.770 16.735 6.417 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 -24.750 17.825 6.037 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 -3.810 4.462 -7.015 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 -3.890 5.282 -7.495 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 -3.120 3.982 -7.485 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.796 -4.177 3.619 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 17.166 -4.717 4.319 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.056 -3.727 4.029 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -9.966 5.804 -6.849 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -9.436 5.524 -7.599 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -10.076 6.744 -6.969 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 -18.005 7.042 -14.269 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 -18.695 6.862 -14.909 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 -17.575 6.192 -14.139 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -3.367 15.661 -24.829 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -3.297 14.781 -24.439 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -4.297 15.861 -24.799 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 7.255 -2.296 14.079 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 7.525 -1.906 13.249 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 7.645 -1.726 14.739 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -4.449 -12.634 7.424 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -4.959 -12.204 6.735 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -3.549 -12.624 7.084 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 5.205 12.626 1.253 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 4.835 11.766 1.453 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 4.715 12.916 0.483 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 8.333 8.315 1.348 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 8.573 9.155 1.758 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 9.003 7.705 1.658 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -3.715 0.865 23.911 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -4.475 0.295 24.051 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -2.965 0.265 23.871 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -6.676 -15.485 -4.052 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -7.216 -16.255 -4.272 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -7.096 -15.115 -3.272 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 2.330 20.654 -3.316 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 1.550 21.054 -3.706 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 2.000 20.134 -2.586 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 23.592 17.327 -20.386 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 24.312 16.787 -20.046 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 23.532 18.057 -19.776 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 18.954 -17.954 -2.113 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 19.384 -18.794 -2.263 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 18.254 -17.924 -2.763 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 22.435 -10.954 22.584 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 22.495 -11.034 23.534 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 21.615 -10.494 22.434 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 15.282 4.663 -20.051 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 14.622 4.123 -19.641 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 15.092 5.553 -19.751 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 11.281 -23.167 -0.085 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 11.571 -23.727 -0.805 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 12.041 -23.087 0.485 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 22.071 -1.483 18.595 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 22.391 -1.943 17.825 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 22.721 -1.683 19.275 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 13.726 3.913 11.724 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 14.336 3.543 11.084 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 13.106 3.213 11.894 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 6.989 -3.434 2.823 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 7.699 -4.024 3.083 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 6.629 -3.824 2.023 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 -20.705 -3.986 3.561 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 -21.045 -4.116 2.671 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 -19.755 -4.006 3.461 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 17.126 24.737 21.665 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 16.326 25.007 21.215 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 17.616 24.247 21.005 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 13.736 22.748 2.451 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.666 22.818 2.651 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.436 23.648 2.381 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -14.178 -25.098 8.348 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -13.318 -24.918 8.728 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -14.798 -24.778 8.998 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 10.544 15.043 10.701 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 11.304 15.633 10.671 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 9.804 15.613 10.891 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 3.271 11.337 -2.105 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 4.051 11.057 -1.625 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 2.821 10.517 -2.325 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 1.481 5.020 9.701 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 0.711 4.600 9.311 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 1.511 4.680 10.601 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -14.531 -11.156 6.161 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -15.311 -10.846 5.691 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -13.821 -11.056 5.521 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 23.443 -17.255 -8.672 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 23.103 -16.395 -8.942 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 23.443 -17.775 -9.472 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -7.084 10.255 -6.762 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -6.394 10.005 -7.382 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -7.044 9.595 -6.082 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 20.013 -15.380 -0.576 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 20.443 -15.630 -1.396 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 19.203 -14.950 -0.846 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 22.003 20.205 -23.507 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 21.403 19.935 -22.807 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 22.173 21.125 -23.337 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -14.025 -2.978 11.031 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -14.345 -2.448 11.761 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -14.785 -3.078 10.451 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 -13.136 13.560 -8.805 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 -13.876 14.090 -8.495 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 -12.366 14.070 -8.565 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 20.663 17.913 23.809 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 19.853 18.413 23.919 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 20.813 17.513 24.669 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 22.522 5.477 23.337 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 22.522 5.927 24.177 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 22.772 4.577 23.537 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -7.004 14.704 -8.899 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.464 15.374 -8.489 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -7.744 14.584 -8.299 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 23.222 3.134 -16.881 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 22.572 2.934 -16.211 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 23.402 4.074 -16.771 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 8.541 22.947 -2.919 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 8.531 22.067 -2.539 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 9.451 23.217 -2.889 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 0.775 -7.728 -12.133 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 0.825 -7.618 -13.083 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 0.315 -8.558 -12.003 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 18.779 13.406 -4.587 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 18.519 12.526 -4.847 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 18.179 13.636 -3.877 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.632 13.364 17.584 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 15.412 13.674 18.044 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 14.742 13.654 16.684 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 9.261 22.236 -0.472 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 8.911 21.906 0.358 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 8.801 23.066 -0.612 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 -17.106 22.113 -2.095 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 -17.846 21.903 -2.665 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 -17.256 21.583 -1.315 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -20.391 12.392 13.849 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -20.701 11.512 14.039 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -19.741 12.272 13.159 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 0.977 -25.186 14.368 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 0.857 -24.886 13.468 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 1.917 -25.336 14.448 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 12.684 -14.308 10.301 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 13.064 -14.598 9.471 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 12.004 -13.688 10.041 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 -0.754 22.115 9.571 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 -0.774 21.285 10.051 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 -0.904 22.785 10.251 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 21.142 -21.006 -2.975 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 20.732 -21.286 -2.165 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 21.752 -20.316 -2.715 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 -21.136 20.345 -11.043 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 -21.586 19.535 -10.823 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 -21.826 21.015 -10.993 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -20.095 9.444 5.283 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -20.695 9.894 5.893 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -20.395 8.534 5.283 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -18.115 6.735 9.821 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -19.035 6.705 10.051 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -17.665 6.975 10.641 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 12.003 4.407 0.043 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 12.373 3.907 -0.687 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 12.763 4.827 0.463 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 25.312 10.679 16.768 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 24.592 11.019 16.238 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 24.922 10.539 17.638 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 11.685 -8.704 -2.489 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 12.445 -8.164 -2.299 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 11.565 -9.254 -1.719 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 17.043 1.027 16.852 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 16.793 0.127 17.052 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 17.373 0.987 15.952 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -10.178 -21.583 -19.199 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -10.408 -22.273 -19.829 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -10.988 -21.393 -18.739 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 -11.755 -9.885 -22.243 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 -11.975 -9.295 -22.963 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 -12.545 -10.415 -22.123 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 16.199 18.478 -21.955 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 15.249 18.488 -22.105 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 16.459 17.568 -22.125 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 -10.187 21.343 -23.011 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 -10.497 20.453 -22.841 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 -9.637 21.263 -23.791 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 -4.435 7.415 -14.765 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 -5.275 7.745 -15.086 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 -4.135 6.825 -15.456 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 12.449 22.912 6.773 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 12.339 23.522 6.053 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 13.399 22.872 6.923 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 -10.325 16.627 9.251 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 -10.875 15.847 9.181 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 -10.825 17.217 9.811 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 17.827 10.798 13.073 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 18.177 11.558 13.543 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 18.527 10.148 13.113 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 -24.258 17.402 20.715 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 -24.268 17.112 19.815 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 -24.538 18.322 20.675 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -10.671 -20.234 -3.033 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -11.191 -19.434 -3.063 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -11.071 -20.814 -3.683 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.112 24.267 -10.588 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 6.442 23.627 -10.818 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 7.692 23.817 -9.988 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 -19.051 -20.408 7.715 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 -19.131 -20.988 8.485 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 -19.791 -20.648 7.155 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 23.076 -19.393 -21.247 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 22.256 -19.863 -21.107 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 23.316 -19.583 -22.157 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 -23.925 2.373 4.515 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 -23.295 1.783 4.925 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 -24.245 1.893 3.745 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 8.682 13.076 -0.213 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 9.592 13.356 -0.273 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 8.302 13.616 0.477 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 22.805 -1.088 -11.459 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 22.875 -0.598 -12.279 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 21.955 -0.818 -11.099 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 13.306 -15.554 15.274 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 13.236 -16.244 15.944 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 14.216 -15.594 14.984 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -0.965 18.773 14.905 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -0.785 18.503 15.805 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -0.945 19.733 14.935 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 8.506 14.054 13.195 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 8.046 14.174 14.014 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 8.736 14.944 12.915 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 7.785 14.215 8.107 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 7.925 13.285 7.917 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 8.515 14.655 7.667 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 -3.284 3.075 -18.499 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 -3.324 2.535 -17.709 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 -4.204 3.245 -18.719 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 2.776 -2.206 9.774 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 1.946 -2.166 10.234 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 2.846 -3.106 9.474 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 -9.188 24.105 -0.533 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 -8.468 23.935 0.077 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 -9.968 24.145 0.017 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 -3.963 17.965 18.933 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 -3.843 17.955 19.883 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 -4.863 18.275 18.813 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 23.584 -9.355 -25.099 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 23.974 -9.115 -24.259 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 23.084 -8.575 -25.359 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 19.214 3.292 -17.049 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 19.884 3.142 -16.389 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 18.894 4.172 -16.869 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 21.917 4.612 6.867 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 21.087 5.082 6.967 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 22.117 4.292 7.737 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 24.541 -17.467 -11.547 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 24.671 -18.377 -11.827 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 24.661 -16.957 -12.347 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 22.616 0.506 -2.539 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 23.316 0.556 -3.189 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 22.796 1.226 -1.929 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -10.555 21.872 1.441 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -10.835 22.142 2.321 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -9.705 21.442 1.591 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 16.144 16.731 6.408 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 16.084 16.991 7.318 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 15.414 16.121 6.278 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -2.304 -18.956 6.215 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -2.634 -19.396 7.005 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -1.764 -18.236 6.555 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -20.388 13.897 -22.629 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -20.898 13.967 -23.439 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -19.868 13.097 -22.739 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 17.454 18.007 -5.341 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 18.394 18.117 -5.491 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 17.044 18.687 -5.891 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 21.693 17.471 7.601 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 21.843 16.721 7.031 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 20.753 17.441 7.801 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 1.297 -16.914 -20.625 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 0.797 -17.574 -20.155 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 1.657 -17.374 -21.385 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 12.164 5.865 -10.915 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 12.804 6.415 -10.465 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 12.684 5.345 -11.535 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 22.316 -9.563 -5.233 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 22.296 -10.233 -4.553 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 22.016 -10.023 -6.023 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 9.977 7.144 -8.942 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 10.587 7.854 -9.132 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 9.737 6.794 -9.802 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -10.543 -5.692 -17.095 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -10.833 -5.672 -16.185 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -9.963 -4.932 -17.175 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 12.470 15.544 -7.926 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 13.010 16.284 -7.636 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 11.610 15.694 -7.536 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 1.457 -5.429 11.983 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 0.777 -5.689 11.363 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 1.127 -5.709 12.833 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 22.696 -17.337 19.433 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 22.596 -18.157 18.953 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 21.836 -16.917 19.383 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 4.344 1.892 22.902 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 3.454 1.922 22.552 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 4.834 2.522 22.382 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 17.844 -6.445 -15.525 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 18.584 -6.905 -15.915 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 17.444 -7.075 -14.935 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 8.535 -1.848 -7.439 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 8.755 -2.778 -7.379 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 7.745 -1.758 -6.899 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -18.255 1.332 -10.166 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -17.335 1.172 -9.966 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -18.735 0.732 -9.586 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 19.073 10.314 23.352 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 18.643 9.864 24.072 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 18.863 11.244 23.482 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 20.051 -9.747 20.484 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 20.941 -9.477 20.724 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 19.981 -9.527 19.554 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 21.446 -9.600 -12.801 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 22.006 -9.750 -12.041 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 21.066 -8.740 -12.651 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 -15.164 -18.123 -13.251 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 -15.494 -18.933 -13.651 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 -14.254 -18.333 -13.041 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -24.263 6.431 -0.720 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -25.053 6.961 -0.820 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -23.633 6.831 -1.310 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 -7.647 -9.694 -13.873 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 -7.927 -10.544 -14.193 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 -8.437 -9.304 -13.493 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 20.075 22.685 -7.805 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 19.815 23.585 -7.615 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 19.895 22.575 -8.745 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 -8.538 -2.668 -5.612 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 -7.598 -2.818 -5.622 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 -8.858 -3.198 -4.882 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 14.955 -15.181 18.641 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 15.065 -14.421 18.071 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 15.245 -15.931 18.111 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -12.670 -24.115 -8.147 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -12.390 -24.225 -7.237 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -13.530 -24.525 -8.177 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -22.484 16.946 -24.715 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -22.914 17.796 -24.725 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -22.784 16.506 -25.515 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 21.870 15.042 6.495 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 22.300 15.652 5.885 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 21.330 14.492 5.935 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 23.272 10.002 7.261 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 23.092 9.462 8.031 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 22.432 10.042 6.791 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 -15.626 3.597 13.823 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 -15.026 2.857 13.753 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 -15.336 4.207 13.143 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -21.137 24.404 -14.429 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -20.317 24.374 -13.939 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -20.937 23.974 -15.259 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 -8.007 1.059 -5.847 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 -8.047 0.119 -5.637 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 -7.687 1.469 -5.047 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 5.124 4.713 -0.067 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 5.874 4.243 -0.437 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 5.514 5.283 0.603 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 22.906 -14.165 22.559 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 23.416 -14.665 21.929 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 22.016 -14.515 22.479 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -7.879 -20.168 12.910 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -7.619 -20.638 12.130 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -8.559 -19.558 12.620 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 17.269 -22.345 -22.141 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 16.329 -22.265 -22.321 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 17.679 -21.685 -22.701 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 14.644 -23.425 -23.373 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 14.174 -22.605 -23.503 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 15.244 -23.485 -24.113 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -4.678 -3.968 -24.035 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -5.368 -3.818 -23.395 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.908 -3.508 -23.695 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 22.152 -22.256 -5.335 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 21.712 -21.876 -4.585 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 21.662 -23.056 -5.535 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 -23.136 -1.839 -7.943 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 -23.996 -1.859 -8.353 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 -23.306 -1.599 -7.033 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 7.265 22.813 -8.143 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 7.435 23.583 -7.603 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 6.555 22.353 -7.693 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 10.460 9.983 14.639 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 9.630 10.303 14.299 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 10.990 10.773 14.759 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 -19.468 25.098 -5.423 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 -20.168 24.448 -5.383 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 -19.618 25.658 -4.663 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 9.053 22.833 -17.532 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 9.593 23.583 -17.802 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 8.773 22.433 -18.352 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 6.112 -22.896 3.707 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 6.282 -22.046 4.117 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 6.512 -22.836 2.847 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 10.081 21.845 -8.122 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 10.431 22.445 -7.452 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 9.191 22.165 -8.292 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 10.344 -7.337 -6.922 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 9.834 -7.887 -6.332 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 10.754 -7.947 -7.522 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -8.075 8.522 -14.893 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -8.935 8.382 -15.303 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -8.265 9.032 -14.113 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 16.465 10.184 1.937 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 15.995 9.814 2.687 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 17.325 9.764 1.957 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 16.140 4.097 -14.045 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 16.740 4.817 -14.215 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 16.160 3.567 -14.845 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 -23.177 13.141 -3.147 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 -23.827 12.441 -3.227 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 -22.437 12.841 -3.657 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 23.367 17.886 -17.583 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 22.577 17.386 -17.763 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 23.397 17.956 -16.633 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 17.262 -16.525 20.463 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 17.332 -15.575 20.553 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 17.952 -16.765 19.843 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 1.162 -15.434 -13.923 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 0.392 -15.954 -13.703 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 0.812 -14.684 -14.413 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 -7.313 -0.253 8.293 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 -7.003 0.187 7.493 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 -7.653 -1.093 7.993 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -1.135 21.962 0.944 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -1.205 22.902 1.114 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -0.855 21.592 1.784 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 20.660 -5.023 -24.186 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 20.300 -5.823 -23.806 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 21.520 -4.923 -23.766 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 -0.948 12.704 -22.083 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 -1.328 13.174 -21.353 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 -1.208 11.784 -21.943 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 2.894 24.193 -18.403 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 2.834 24.433 -17.483 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 3.704 23.683 -18.463 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 -13.497 0.832 -14.982 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 -14.157 0.462 -15.572 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 -13.997 1.422 -14.412 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 -19.043 3.784 -24.623 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 -18.113 3.664 -24.423 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 -19.303 2.984 -25.073 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 -22.945 -2.340 -15.906 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 -23.275 -2.630 -15.056 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 -22.425 -1.560 -15.716 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 3.544 12.671 22.962 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 2.934 13.391 23.112 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 4.334 13.101 22.632 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 10.742 -16.397 -16.696 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 11.042 -17.167 -16.216 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 9.802 -16.547 -16.826 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 -14.417 12.131 -5.517 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 -15.207 11.961 -6.037 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 -14.197 11.281 -5.137 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 -14.755 5.181 -13.406 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 -14.075 4.841 -13.986 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 -14.295 5.411 -12.596 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 16.797 -11.223 -9.956 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 17.087 -10.853 -9.125 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 17.297 -10.753 -10.626 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 20.357 -11.771 3.515 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 20.487 -12.641 3.125 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 21.017 -11.221 3.085 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 -5.124 23.637 -15.507 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 -4.854 23.537 -16.417 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 -4.634 22.957 -15.037 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 14.751 -15.647 -3.653 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 14.251 -15.187 -2.983 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 15.601 -15.207 -3.653 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 25.105 -21.465 23.101 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 24.145 -21.455 23.071 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 25.355 -20.545 23.111 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 0.716 -22.184 -6.577 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 -0.134 -22.004 -6.967 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 0.516 -22.424 -5.667 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 7.107 9.831 22.221 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 6.317 9.761 21.691 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 7.077 9.061 22.801 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 24.241 -9.564 -19.655 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 24.481 -10.044 -18.875 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 25.011 -9.044 -19.875 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 3.142 20.335 -18.839 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 3.192 19.725 -19.579 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 3.992 20.775 -18.829 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -16.564 -3.547 9.979 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.914 -3.667 9.099 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -16.394 -4.427 10.299 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -11.558 4.006 10.661 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -12.448 4.376 10.681 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -11.528 3.496 9.861 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 1.304 14.343 24.429 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 0.434 13.953 24.299 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 1.684 13.853 25.159 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 7.333 17.731 -8.833 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 8.153 17.271 -8.983 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 6.813 17.571 -9.623 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 10.953 -11.496 1.610 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 10.263 -10.836 1.690 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 11.093 -11.796 2.500 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 7.796 -17.578 -2.301 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 7.636 -17.088 -3.111 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 8.266 -18.368 -2.591 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 24.426 -11.456 7.669 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 23.886 -10.946 7.059 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 25.216 -10.936 7.779 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 14.031 11.984 8.269 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 13.851 11.604 7.409 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 13.221 12.434 8.519 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 19.623 25.083 9.967 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 19.493 24.143 9.927 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 18.803 25.463 9.637 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.004 -24.426 -3.683 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 11.294 -25.246 -3.273 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 11.154 -24.566 -4.623 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 -12.047 -20.888 7.949 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 -12.147 -21.628 7.359 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 -11.427 -21.188 8.609 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 -2.361 16.205 23.231 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 -2.581 16.135 24.161 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 -1.931 15.375 23.021 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 10.234 -24.158 -16.495 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 10.854 -23.438 -16.605 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 9.944 -24.368 -17.385 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 -18.914 -12.154 -9.311 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 -18.484 -11.874 -8.501 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 -18.294 -12.764 -9.711 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 23.402 2.415 4.667 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 23.252 3.065 5.347 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 24.022 2.825 4.067 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 14.356 12.422 -21.636 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 14.926 13.182 -21.526 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 13.476 12.772 -21.616 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 22.301 -0.995 -19.957 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 22.581 -0.465 -19.207 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 21.441 -0.635 -20.197 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 -11.244 10.212 18.931 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 -10.384 9.972 19.291 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 -11.304 11.152 19.091 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -15.679 -19.259 -22.517 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -14.819 -18.849 -22.397 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -16.299 -18.609 -22.197 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 3.231 9.106 -12.848 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 3.981 9.456 -12.388 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 3.351 9.396 -13.758 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 8.130 1.716 -3.513 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 8.520 0.856 -3.653 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 8.830 2.336 -3.703 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 -19.680 21.146 5.664 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 -19.330 22.026 5.494 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 -18.960 20.556 5.464 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 18.842 16.141 -15.343 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 18.872 15.201 -15.483 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 18.762 16.241 -14.393 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -9.833 -22.256 -16.613 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -9.953 -21.896 -17.493 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -9.933 -21.506 -16.023 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 -16.133 21.993 -5.267 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 -16.793 22.493 -5.737 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 -16.623 21.303 -4.807 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 -6.903 -21.640 -17.171 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -7.413 -22.440 -17.061 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 -7.543 -20.990 -17.471 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 -22.556 20.685 20.485 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 -23.186 21.375 20.705 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 -23.096 19.975 20.155 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 -7.616 24.865 -5.487 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 -8.196 25.635 -5.517 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 -7.336 24.815 -4.577 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 15.125 5.773 -6.269 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 15.065 5.103 -6.939 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 16.065 5.883 -6.109 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 10.823 15.575 -23.026 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 11.423 15.825 -23.726 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 11.383 15.325 -22.296 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 -18.997 -10.100 22.168 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 -18.357 -10.240 22.858 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 -19.247 -10.980 21.878 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 3.201 -16.114 10.577 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 3.611 -15.664 9.837 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 3.101 -17.014 10.277 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 3.945 7.744 16.395 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 3.555 8.364 17.015 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 3.215 7.244 16.055 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 -4.955 -14.464 4.264 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 -5.705 -14.834 3.794 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 -4.765 -15.104 4.954 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 -13.348 -7.348 -7.372 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 -13.648 -8.178 -7.762 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 -12.698 -7.618 -6.722 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 5.606 -6.628 10.013 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 5.796 -5.888 10.593 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 6.116 -6.468 9.223 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 24.894 -16.953 -24.913 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 25.144 -16.093 -25.243 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 24.224 -16.773 -24.243 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 -17.758 -15.996 18.329 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 -16.988 -16.566 18.299 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 -17.408 -15.126 18.509 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 22.029 5.692 10.689 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 21.239 6.172 10.929 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 22.679 5.962 11.339 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -2.025 23.485 12.564 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -2.905 23.845 12.554 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -1.975 22.985 13.374 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 17.237 14.800 24.424 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 16.427 14.810 24.934 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 17.857 15.310 24.944 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.156 -9.574 23.861 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 10.806 -10.454 23.981 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.096 -9.674 23.991 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.371 0.936 14.052 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.771 1.546 13.432 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.051 1.496 14.762 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.418 6.493 17.351 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -17.758 6.833 16.751 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.178 7.073 17.241 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -23.864 12.484 -9.171 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -23.114 12.044 -9.571 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -23.914 13.324 -9.621 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -16.550 -14.041 6.431 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -16.900 -13.161 6.311 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -16.590 -14.441 5.571 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -16.391 -1.304 11.849 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -16.721 -0.554 12.349 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -15.771 -0.924 11.229 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 -17.808 -0.165 -6.939 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 -18.498 -0.835 -6.869 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 -17.108 -0.595 -7.419 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -14.995 -10.651 -14.131 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -15.915 -10.531 -13.881 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -15.035 -10.951 -15.041 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 14.350 3.573 5.865 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 13.650 4.043 6.305 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 14.610 4.143 5.145 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 0.354 21.695 -4.659 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 -0.176 22.455 -4.439 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 -0.056 21.335 -5.449 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 -17.636 -14.875 -3.745 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 -18.426 -15.085 -4.235 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 -17.006 -14.585 -4.405 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 0.203 -25.093 8.121 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 -0.127 -25.223 9.011 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 1.153 -25.223 8.201 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 -18.316 23.241 17.825 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 -19.046 23.311 17.205 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 -18.726 23.311 18.685 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 -4.376 21.463 17.909 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 -4.196 20.543 18.079 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 -4.406 21.543 16.959 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -6.216 18.691 -14.652 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -6.356 18.621 -13.712 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 -6.956 19.211 -14.972 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 3.202 18.981 -14.401 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 3.042 19.721 -14.981 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 2.382 18.491 -14.391 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 3.506 -24.266 -22.679 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 3.916 -24.866 -22.059 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 2.866 -24.796 -23.149 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 10.246 -2.040 -14.616 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 11.026 -1.550 -14.866 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 10.296 -2.120 -13.666 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -9.386 15.883 -22.309 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -10.116 15.533 -22.829 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -9.556 15.563 -21.419 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 17.611 -9.822 13.273 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 16.851 -9.822 12.693 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 18.231 -10.422 12.863 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 0.002 13.224 3.329 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 0.872 13.624 3.259 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 0.112 12.354 2.939 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -13.096 -8.136 5.991 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -12.716 -7.526 6.621 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -13.486 -7.576 5.321 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 13.182 16.457 24.873 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 13.032 15.517 24.813 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 14.112 16.547 25.083 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 22.053 -2.557 12.745 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 22.973 -2.287 12.715 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 22.083 -3.507 12.885 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 21.455 -10.377 8.689 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 22.165 -10.157 9.289 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 21.895 -10.697 7.899 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 4.939 -14.618 16.983 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 4.959 -15.328 16.333 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 4.439 -14.978 17.713 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 -1.687 -4.904 -8.119 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 -1.077 -5.134 -8.809 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 -1.447 -5.474 -7.389 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 17.154 10.335 10.204 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 17.234 9.615 10.834 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 16.864 11.085 10.724 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -23.876 -16.604 -20.829 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -23.666 -15.944 -20.179 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -24.786 -16.854 -20.649 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -18.365 -0.608 17.457 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -18.995 -0.498 16.747 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -17.745 0.112 17.347 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 9.097 -2.864 17.093 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 9.227 -2.124 16.493 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 8.607 -2.494 17.823 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -12.880 20.955 9.497 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -13.640 20.455 9.187 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 -12.130 20.455 9.167 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -15.746 -22.955 6.713 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -16.696 -23.075 6.673 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -15.546 -22.995 7.653 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 -18.493 2.827 19.189 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 -19.333 2.897 18.729 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 -17.993 3.587 18.899 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 5.886 -0.793 11.933 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 5.096 -1.133 12.353 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 5.936 0.117 12.233 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -14.395 5.991 24.525 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -15.115 6.011 23.895 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -14.075 5.091 24.485 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -4.939 23.405 0.861 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -4.639 22.865 1.591 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -5.299 24.195 1.281 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 2.386 21.644 0.037 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 1.586 21.574 0.547 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 3.026 22.014 0.637 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 23.814 19.505 6.579 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 23.844 20.155 7.279 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 23.694 18.675 7.029 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.996 1.412 20.999 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -12.696 1.632 21.609 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.906 0.462 21.079 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -17.647 -3.704 6.836 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -16.897 -3.814 6.266 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -18.037 -2.864 6.586 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 22.752 -21.616 5.384 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 23.062 -20.906 4.834 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 23.152 -22.406 5.024 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -23.505 6.923 17.564 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -23.935 7.563 18.134 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -23.635 6.083 18.014 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 -14.406 -21.739 13.525 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 -13.856 -22.069 12.815 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 -13.786 -21.429 14.175 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 -16.527 -4.225 -15.939 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 -15.837 -4.245 -15.279 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 -17.337 -4.305 -15.439 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 20.284 -4.025 18.509 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 20.144 -3.805 19.429 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 20.734 -3.265 18.149 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 5.343 -19.285 24.372 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 4.863 -19.515 25.182 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 5.453 -20.115 23.922 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 -8.966 25.127 23.209 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 -9.646 24.777 23.779 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 -8.816 24.427 22.569 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 23.850 -5.943 -7.119 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 24.220 -6.753 -7.479 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 23.380 -6.223 -6.329 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 -2.549 18.977 -8.722 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 -2.769 19.187 -9.632 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 -3.379 18.707 -8.332 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 -0.247 15.855 1.464 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 -0.527 15.625 0.574 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 0.203 15.065 1.784 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -23.036 2.285 20.789 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -22.466 1.585 20.479 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -23.746 2.315 20.139 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 18.877 6.896 -8.251 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 18.467 7.466 -7.591 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 18.647 6.016 -7.971 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 8.296 -18.593 -23.171 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 7.906 -19.243 -23.741 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 9.206 -18.543 -23.441 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 3.891 -23.418 0.023 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 3.241 -23.938 -0.447 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 4.001 -22.628 -0.507 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 16.861 17.133 14.529 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 17.071 16.213 14.699 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 16.991 17.573 15.369 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 9.032 -25.557 21.364 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 8.292 -25.047 21.694 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 9.192 -25.207 20.494 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 10.406 7.045 5.785 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 11.216 7.465 5.485 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 10.536 6.935 6.725 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 16.005 -3.259 7.599 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 16.615 -2.539 7.759 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 15.225 -3.029 8.099 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -13.777 4.735 21.485 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -13.907 4.285 20.645 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -14.667 4.915 21.795 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -6.083 21.491 -24.096 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -6.143 22.381 -23.746 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -6.013 20.941 -23.316 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 24.366 -21.685 -3.539 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 24.186 -20.815 -3.189 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 23.806 -21.775 -4.299 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 24.674 -1.703 -14.991 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 25.014 -0.813 -15.031 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 23.814 -1.623 -14.561 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 -25.236 -19.627 13.901 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 -25.026 -20.117 13.101 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 -24.416 -19.207 14.151 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -18.487 11.951 25.473 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -18.967 12.561 24.923 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -18.177 11.271 24.863 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 -22.258 -20.779 -18.286 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 -21.908 -21.629 -18.556 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 -22.618 -20.399 -19.086 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 -18.955 -5.496 -0.241 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 -18.065 -5.586 -0.591 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 -19.515 -5.906 -0.911 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 23.773 -20.275 -23.783 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 24.383 -19.675 -24.223 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 24.323 -20.985 -23.463 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 -23.737 -9.339 -2.583 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 -24.257 -8.839 -3.213 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 -23.457 -10.119 -3.073 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 -24.671 -19.508 -17.387 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 -25.241 -20.258 -17.557 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 -23.791 -19.818 -17.577 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 -0.231 8.017 19.439 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 0.169 8.747 19.909 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 -1.051 7.847 19.909 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 -11.313 25.055 -25.125 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 -11.503 24.485 -24.385 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 -12.143 25.145 -25.585 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 -17.664 -17.186 -12.089 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 -17.784 -16.276 -12.349 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 -16.794 -17.416 -12.399 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 -17.084 -4.476 -2.362 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 -17.224 -5.306 -2.812 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 -16.134 -4.386 -2.312 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 15.884 17.370 24.523 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 16.094 16.710 25.183 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 16.164 16.970 23.693 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 7.225 19.565 22.864 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 7.445 20.465 23.124 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 6.735 19.655 22.054 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.787 22.478 -24.096 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -22.177 22.508 -23.216 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -21.057 21.868 -24.006 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.831 13.454 14.583 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -9.141 12.644 14.993 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.451 13.174 13.753 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 -0.706 -1.543 -23.201 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 0.194 -1.663 -23.501 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 -0.616 -0.973 -22.431 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 5.236 -15.679 -11.859 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 5.976 -15.829 -12.449 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 4.766 -14.949 -12.259 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -19.538 19.894 -17.735 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -20.298 19.314 -17.705 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -19.228 19.934 -16.835 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -2.744 23.387 20.900 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -2.164 23.157 21.630 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -3.284 24.097 21.230 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 19.727 9.724 -13.877 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 18.917 9.284 -13.627 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 20.107 10.034 -13.057 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -12.585 -9.966 -16.371 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -13.295 -9.506 -15.931 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -12.355 -9.416 -17.121 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 -1.141 -1.953 1.337 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 -1.561 -1.143 1.607 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 -1.861 -2.553 1.137 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -2.016 10.074 20.143 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -1.826 10.914 19.733 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -2.546 10.294 20.913 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -19.424 21.034 13.931 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -19.254 21.654 14.641 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -19.004 20.214 14.221 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 -21.648 -11.464 -22.905 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 -22.538 -11.754 -22.695 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 -21.658 -11.284 -23.835 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 -0.227 -19.326 -17.468 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 -0.457 -19.946 -18.158 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 0.563 -19.686 -17.068 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -2.428 -22.935 -16.676 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -1.548 -23.235 -16.906 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -2.618 -23.385 -15.856 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 19.303 19.775 -4.237 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 18.533 19.705 -4.797 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 19.873 20.405 -4.687 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 21.396 17.724 21.119 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 21.546 17.414 22.019 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 20.776 17.094 20.759 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 3.764 -14.428 4.623 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 3.934 -15.058 3.923 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 3.934 -13.578 4.243 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 10.380 5.866 -24.846 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 9.690 5.836 -24.186 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 9.920 5.966 -25.676 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 4.623 2.462 -12.293 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 4.413 1.602 -12.673 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 5.043 2.942 -13.013 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 -0.897 0.524 -4.685 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 -1.297 0.954 -3.936 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 -1.567 -0.076 -5.006 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 24.040 -9.956 -1.006 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 24.460 -9.546 -1.756 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 24.740 -10.456 -0.586 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 3.843 -5.195 20.653 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 3.473 -4.915 19.813 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 4.783 -5.165 20.523 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 11.192 -3.410 -8.801 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 10.492 -3.700 -8.221 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 11.402 -2.520 -8.511 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 3.326 -4.318 -8.681 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 3.886 -4.218 -7.921 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 2.736 -3.568 -8.641 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 21.816 -16.135 -21.399 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 22.106 -16.415 -22.269 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 22.596 -16.215 -20.849 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 8.545 -12.659 0.138 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 7.665 -12.789 -0.222 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 9.135 -12.979 -0.532 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 -20.595 3.284 4.647 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 -21.225 2.794 5.177 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 -20.095 2.604 4.187 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -13.637 19.053 23.847 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -12.897 18.983 24.447 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -13.467 18.403 23.167 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 -15.495 -5.376 -19.479 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 -14.835 -4.796 -19.089 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 -15.955 -5.766 -18.739 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 17.224 10.066 19.653 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 16.634 10.636 19.163 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 17.394 10.546 20.463 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 17.597 -7.745 3.883 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 17.397 -7.065 4.523 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 18.487 -7.535 3.583 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 13.789 -14.854 12.744 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 13.509 -15.764 12.814 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 13.499 -14.564 11.874 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 -15.670 3.445 6.919 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 -15.450 4.305 7.269 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 -15.110 3.335 6.149 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -9.585 14.041 -16.213 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -8.805 14.071 -15.663 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -10.185 14.671 -15.813 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 -6.507 -17.858 -17.135 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 -6.057 -17.018 -17.025 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 -6.097 -18.248 -17.905 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 -9.106 12.812 3.669 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 -9.016 11.862 3.559 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 -9.366 13.132 2.809 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 -13.000 -7.316 19.564 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 -12.310 -6.736 19.884 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 -13.410 -7.656 20.354 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -20.854 4.769 8.394 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -21.054 4.929 7.474 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -19.924 4.529 8.404 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 6.947 -10.209 -11.036 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 7.237 -9.939 -11.906 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 7.317 -11.079 -10.916 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -11.913 -6.766 -0.575 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -11.003 -7.036 -0.695 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -12.183 -6.456 -1.445 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.647 0.842 4.078 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.077 0.082 4.008 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.127 1.572 3.768 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -3.815 -11.238 -23.029 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -3.845 -10.318 -22.779 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -2.885 -11.438 -23.129 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -3.848 -3.143 0.927 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -4.148 -4.013 0.677 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -4.348 -2.933 1.717 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 -7.855 7.405 24.713 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 -8.565 7.985 24.433 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 -8.065 6.555 24.323 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 10.304 -16.116 10.049 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 9.964 -15.586 10.779 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 11.244 -16.186 10.229 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 0.914 2.186 13.011 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 0.744 1.596 13.741 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 0.304 1.906 12.321 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 16.793 -23.695 -19.391 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 16.793 -24.645 -19.551 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 15.883 -23.485 -19.201 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 -4.795 22.461 7.893 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 -5.315 22.441 7.093 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 -3.895 22.301 7.593 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 10.952 12.790 8.874 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 11.032 13.500 9.514 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 10.172 12.310 9.144 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -14.161 21.286 21.489 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -13.881 22.126 21.109 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -14.211 20.696 20.739 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 10.946 14.746 -11.639 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 11.266 14.386 -12.469 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 11.616 14.506 -10.999 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.724 -16.324 -13.891 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -2.464 -16.124 -13.311 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -1.824 -15.714 -14.621 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 24.167 15.103 23.409 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 24.637 15.233 22.589 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 24.057 14.153 23.469 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -0.997 -8.873 21.758 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -0.717 -8.043 21.348 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -1.807 -9.103 21.318 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 11.122 -8.138 0.585 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 10.542 -8.098 1.345 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 10.852 -7.398 0.035 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 17.596 -14.776 3.935 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 18.426 -15.156 3.665 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 17.826 -14.036 4.485 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 16.360 20.814 -2.389 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 15.770 21.204 -3.039 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 16.080 21.194 -1.559 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -13.125 24.777 1.295 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -13.755 24.067 1.455 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -12.585 24.807 2.075 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 13.365 19.360 18.739 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 13.375 19.880 19.539 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 12.495 18.970 18.719 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -13.558 2.755 -1.175 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -13.068 3.255 -1.815 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -14.468 2.985 -1.335 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 19.441 -13.773 -14.647 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 18.761 -13.583 -14.007 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 19.651 -12.923 -15.037 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 3.851 -4.531 -19.569 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 4.701 -4.561 -19.129 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 3.821 -3.661 -19.969 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 -8.800 2.785 -22.522 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 -8.450 1.895 -22.652 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 -9.530 2.675 -21.912 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 -9.318 18.874 -11.267 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 -9.088 19.774 -11.497 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 -10.158 18.954 -10.817 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 8.765 6.196 -14.633 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 8.245 6.506 -15.373 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 8.405 5.336 -14.433 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 24.085 -24.546 22.395 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 23.885 -24.726 23.315 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 25.025 -24.706 22.325 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 22.825 -18.905 8.341 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 22.775 -19.385 7.511 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 23.765 -18.725 8.451 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 10.334 -19.799 17.485 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 9.974 -19.039 17.935 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 11.274 -19.739 17.635 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 0.563 15.924 5.303 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 0.063 15.204 5.703 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 1.373 15.964 5.823 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 2.145 20.634 -21.915 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 1.525 20.754 -21.195 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 2.625 19.844 -21.675 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 2.802 11.177 17.715 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 2.782 10.507 18.395 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 3.382 11.847 18.055 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 -0.278 -5.828 -10.387 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 -0.378 -4.898 -10.547 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 -0.238 -6.218 -11.267 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 -17.696 6.543 6.418 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 -18.226 5.813 6.088 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -17.636 6.393 7.358 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 3.394 -18.827 14.935 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 2.604 -18.437 15.325 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 3.134 -19.727 14.725 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 21.576 13.225 -5.709 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 21.396 14.115 -6.009 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 20.716 12.845 -5.549 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 -6.026 3.006 -18.899 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 -6.026 2.826 -17.959 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 -6.836 2.616 -19.219 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 -17.415 -20.606 -0.493 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 -16.535 -20.866 -0.213 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 -17.965 -21.356 -0.263 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 15.656 -2.600 23.841 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 16.046 -3.200 24.481 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 16.406 -2.140 23.461 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 17.396 22.139 -23.219 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 17.086 22.969 -22.869 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 16.766 21.909 -23.899 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -7.401 16.136 -11.549 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -7.761 15.676 -10.789 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 -7.281 15.446 -12.209 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 -8.964 4.223 10.639 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 -8.734 4.793 9.899 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 -9.914 4.163 10.609 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -20.077 -15.636 16.621 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -19.667 -15.036 15.991 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -19.457 -15.686 17.341 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 1.066 6.054 24.613 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 0.276 6.294 25.113 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 0.846 6.274 23.703 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 1.355 -14.075 0.627 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 1.035 -13.485 -0.053 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 1.855 -13.525 1.217 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 2.891 -10.256 15.373 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 3.401 -10.266 16.183 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 3.381 -10.826 14.773 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 16.106 18.385 3.001 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 16.026 17.475 2.711 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 16.776 18.765 2.421 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -23.706 24.393 20.312 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -23.686 23.803 21.072 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -23.096 25.093 20.552 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -20.660 -21.063 -24.131 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -19.980 -20.703 -24.691 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -21.030 -20.303 -23.681 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 2.859 -7.046 10.299 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 3.819 -7.006 10.259 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 2.599 -6.236 10.729 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 16.905 -17.728 -3.943 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 16.215 -17.088 -3.813 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 16.665 -18.168 -4.763 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 0.123 -15.538 24.394 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 0.523 -15.458 25.254 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -0.627 -14.948 24.414 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 0.570 8.206 -13.501 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 0.280 7.556 -12.871 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 1.510 8.306 -13.341 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 24.353 -21.373 19.711 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 24.353 -22.193 19.221 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 24.113 -21.623 20.601 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 -12.358 -6.027 14.595 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 -11.718 -5.707 13.965 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 -12.088 -6.917 14.795 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 20.692 16.539 12.694 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 21.482 16.989 12.414 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 20.922 15.609 12.654 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 22.776 24.797 19.845 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 23.276 24.687 20.645 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 21.866 24.717 20.115 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 -15.971 3.884 -21.139 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 -16.381 4.054 -20.289 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 -16.141 4.674 -21.659 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 23.006 -10.740 17.344 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 23.606 -11.250 16.794 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 22.646 -10.080 16.754 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 2.946 7.803 12.617 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 2.086 7.383 12.667 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 3.206 7.713 11.697 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -22.795 -3.637 -20.932 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -21.855 -3.547 -21.082 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -22.935 -3.257 -20.062 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -8.135 21.964 24.834 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -7.515 21.904 25.564 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -8.015 22.854 24.494 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 -0.034 -18.739 10.961 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 0.856 -18.619 11.291 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 -0.334 -17.849 10.751 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -13.136 19.415 -11.139 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -12.906 20.335 -10.979 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -13.386 19.085 -10.269 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 13.153 18.563 12.662 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 13.673 19.333 12.452 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 12.723 18.333 11.832 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -21.245 23.773 -2.461 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -20.525 24.403 -2.531 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -21.415 23.513 -3.361 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -12.750 -16.779 10.253 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -12.190 -16.389 9.583 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -13.340 -17.359 9.773 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 -19.258 23.549 7.491 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 -19.368 22.739 7.991 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 -18.328 23.759 7.581 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 -17.973 23.263 -6.925 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 -18.463 22.893 -7.665 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 -18.433 24.083 -6.725 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 -0.668 -23.575 -21.589 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 -1.198 -24.345 -21.359 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 0.162 -23.715 -21.139 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 24.079 19.131 -0.311 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 24.779 18.551 -0.611 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 23.979 19.761 -1.021 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 20.643 -7.416 -7.427 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 21.003 -7.926 -8.157 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 20.673 -8.016 -6.677 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 -16.114 1.023 -16.311 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 -16.464 1.733 -16.841 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 -16.864 0.453 -16.141 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 10.672 -5.748 -4.051 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 10.512 -6.408 -4.721 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 11.292 -6.168 -3.451 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 -9.647 -16.465 -10.423 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 -9.517 -16.455 -9.473 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 -10.597 -16.365 -10.543 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 -2.979 14.751 -10.062 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 -3.589 15.001 -9.372 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 -2.949 15.501 -10.652 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 11.221 14.676 -17.237 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 11.221 14.856 -16.297 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 11.901 15.246 -17.587 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 17.854 13.084 -7.199 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 18.264 13.754 -7.739 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 17.494 13.564 -6.449 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 11.953 -11.304 21.110 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 12.533 -10.954 20.430 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 12.343 -12.144 21.340 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -20.436 -11.656 -11.603 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -20.896 -10.956 -11.133 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -20.226 -12.296 -10.923 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 -23.356 1.651 1.752 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 -22.686 1.461 1.092 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 -23.516 2.591 1.672 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 24.016 -0.096 15.923 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 23.556 0.574 16.433 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 24.616 0.394 15.363 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -14.048 -25.246 15.601 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -14.188 -25.696 14.771 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -14.498 -24.406 15.501 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 -3.343 25.015 23.977 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 -2.643 24.385 23.777 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 -3.753 25.205 23.137 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -18.477 6.000 -2.023 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -19.117 5.370 -2.363 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -18.537 5.900 -1.073 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -23.736 -12.909 -16.925 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -23.666 -13.769 -17.355 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -23.056 -12.379 -17.335 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 4.340 1.905 1.495 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 5.020 2.185 2.095 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 4.790 1.785 0.655 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 11.004 -19.890 20.528 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.774 -19.880 21.088 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 10.824 -18.970 20.338 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 11.570 0.552 -15.871 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 10.790 0.622 -16.431 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 11.890 -0.338 -16.021 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 5.433 -19.138 -22.997 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 5.853 -18.918 -22.167 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 5.803 -19.998 -23.227 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -20.635 19.032 7.856 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -20.635 19.062 8.816 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -21.355 19.612 7.606 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 22.326 -10.100 1.334 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 22.966 -10.070 0.625 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 22.446 -9.270 1.794 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -20.550 -11.399 12.069 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -21.050 -11.469 11.249 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -20.150 -12.259 12.179 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 -20.535 -9.018 -3.936 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 -21.325 -9.558 -3.826 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 -19.825 -9.568 -3.596 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 23.854 6.015 -17.221 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 24.534 6.195 -17.871 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 24.014 6.655 -16.521 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 15.894 23.965 -8.239 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 16.394 23.485 -7.579 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 14.984 23.885 -7.949 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -14.430 11.991 2.557 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -15.210 11.681 3.017 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.030 12.611 3.167 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 -20.164 -10.581 6.697 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 -19.454 -10.871 7.277 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 -20.034 -11.081 5.897 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 -1.795 -9.899 -9.739 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 -2.735 -10.079 -9.799 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 -1.705 -9.339 -8.969 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 13.882 18.431 -13.747 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 14.252 19.311 -13.817 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 14.562 17.861 -14.117 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 3.153 -0.179 7.047 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 3.023 -0.729 7.817 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 2.283 -0.089 6.667 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 -13.871 -4.744 -24.576 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 -14.191 -4.194 -23.866 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 -14.021 -5.644 -24.266 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -20.015 10.897 0.113 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -19.445 10.377 0.693 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -20.805 10.367 0.023 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -18.683 3.883 -9.609 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -18.683 3.563 -8.709 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -18.673 3.093 -10.149 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -11.344 -16.181 18.185 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -11.894 -16.911 18.505 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -11.124 -16.421 17.295 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 6.825 -21.929 -10.297 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 6.715 -21.079 -10.727 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 7.305 -22.469 -10.927 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 3.102 -23.038 4.943 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 4.022 -22.798 4.963 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 2.862 -23.008 4.013 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 3.641 -18.395 -8.778 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 3.241 -19.155 -8.358 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 3.321 -17.645 -8.268 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 -5.316 -3.606 4.225 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 -5.036 -3.856 5.105 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 -6.096 -4.136 4.055 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 15.333 -1.515 -3.423 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 15.593 -1.095 -2.593 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 14.393 -1.335 -3.493 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 -12.766 19.945 12.366 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 -12.216 20.215 11.626 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 -12.966 20.755 12.826 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -14.910 -22.075 -19.662 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -15.470 -21.305 -19.772 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -14.030 -21.715 -19.592 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 2.337 24.916 17.853 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 1.577 25.406 17.523 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 2.657 24.436 17.093 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -10.747 -22.867 22.889 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -11.627 -22.577 22.649 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -10.887 -23.577 23.509 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -6.514 18.672 -11.472 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -6.654 17.722 -11.512 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -7.384 19.052 -11.592 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 20.974 10.414 -5.692 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 21.734 9.974 -5.332 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 21.174 10.504 -6.632 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 16.033 -9.135 7.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 15.413 -8.415 7.193 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 15.913 -9.665 7.883 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 17.176 19.983 -19.281 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 16.376 19.473 -19.171 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 17.426 20.223 -18.381 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 -3.527 20.445 -6.067 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 -2.737 20.675 -5.587 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 -3.917 19.725 -5.567 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 15.963 25.025 3.873 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 16.463 24.345 3.413 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 16.053 25.805 3.313 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 -4.374 -23.794 -24.537 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 -3.744 -24.244 -25.107 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 -3.974 -22.944 -24.357 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 7.761 14.787 15.871 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 7.111 15.327 15.421 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 7.241 14.187 16.411 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 14.071 -2.366 9.507 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 13.161 -2.546 9.757 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 14.581 -2.566 10.287 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 -20.168 -15.571 -7.837 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 -20.268 -15.791 -8.767 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 -19.348 -15.081 -7.797 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -18.184 3.035 11.573 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -18.564 3.845 11.913 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -18.044 2.495 12.353 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 23.243 1.446 -12.621 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 22.973 2.076 -11.941 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 22.623 1.596 -13.331 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 18.616 -14.461 13.495 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 18.586 -15.091 12.775 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 17.846 -13.911 13.365 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -18.127 -2.486 -23.647 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -17.607 -2.216 -22.887 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -17.797 -1.926 -24.357 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 15.907 -15.645 23.679 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 15.197 -16.275 23.589 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 16.307 -15.845 24.529 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 22.932 -0.265 23.749 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 23.552 -0.985 23.769 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 22.102 -0.655 24.029 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.466 16.477 7.914 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -22.066 16.697 8.625 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -20.956 17.277 7.785 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 1.346 -21.830 -11.672 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 1.036 -22.740 -11.632 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 1.626 -21.630 -10.782 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -14.846 -13.574 -9.293 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -13.956 -13.234 -9.183 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -15.346 -13.134 -8.603 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -15.797 -16.018 -22.988 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -15.517 -16.568 -23.718 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -15.887 -15.138 -23.368 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 1.279 4.823 -23.263 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 1.319 5.173 -24.153 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 1.809 4.023 -23.293 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 -14.809 5.894 8.049 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 -14.439 6.704 7.709 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 -14.529 5.864 8.959 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 -5.416 -10.839 -9.917 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 -5.016 -10.359 -9.187 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 -5.946 -10.189 -10.377 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.663 6.693 -9.041 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -4.203 7.223 -8.461 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.733 7.123 -9.901 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 -19.785 7.614 -11.997 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 -19.435 6.924 -12.557 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 -19.745 7.244 -11.117 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -14.370 -9.968 -1.671 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -13.880 -9.938 -2.491 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -14.980 -10.688 -1.781 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 9.402 16.351 22.909 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 10.002 16.661 22.219 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 9.332 15.411 22.739 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 -9.523 -10.615 -24.881 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 -10.053 -10.855 -25.641 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 -9.763 -9.715 -24.691 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 4.303 -14.217 -24.171 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 3.943 -15.047 -24.491 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 4.763 -14.447 -23.361 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -18.686 -20.115 -9.617 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -19.026 -19.705 -8.817 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -18.496 -19.375 -10.197 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 -14.984 -7.045 -16.136 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 -15.364 -6.935 -15.266 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 -15.734 -7.115 -16.726 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 14.809 8.336 9.697 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 14.189 9.056 9.577 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 14.279 7.636 10.067 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 20.604 -15.494 -6.397 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 19.704 -15.694 -6.657 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 20.874 -16.234 -5.857 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 7.274 -7.371 1.143 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 7.924 -7.681 1.773 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 6.924 -8.171 0.743 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -3.994 22.904 -18.036 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -4.404 22.874 -18.906 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -3.084 23.144 -18.216 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 -9.194 0.063 -3.019 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 -8.654 0.853 -3.049 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 -9.804 0.213 -2.299 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 -10.028 8.173 16.889 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 -10.248 8.313 15.969 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 -10.078 9.053 17.279 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 11.746 23.722 21.799 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 11.806 24.052 22.689 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 12.336 24.272 21.289 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 6.026 6.327 12.325 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 6.206 7.247 12.135 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 6.456 6.167 13.165 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 10.916 7.992 23.959 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 10.736 8.862 24.319 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 11.736 7.722 24.379 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -4.363 -8.346 -0.317 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -5.023 -8.846 -0.797 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -3.643 -8.966 -0.187 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 -21.060 -7.544 24.681 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 -21.350 -6.834 25.251 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 -20.490 -7.114 24.041 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -22.233 -18.135 13.829 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -21.373 -17.725 13.759 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -22.073 -19.055 13.609 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -9.577 0.755 12.713 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -9.457 1.005 11.793 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -8.717 0.445 12.993 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 -11.897 -13.987 -9.372 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 -11.257 -13.917 -8.662 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 -12.357 -14.807 -9.202 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -10.336 8.192 24.209 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -11.066 8.462 24.769 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -10.696 7.502 23.659 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 6.943 12.924 18.578 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 7.473 12.194 18.238 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 6.443 12.544 19.298 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 24.124 -21.765 -9.538 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 23.874 -21.285 -10.328 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 23.314 -21.875 -9.048 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 15.842 8.385 15.819 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 16.562 8.125 15.229 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 15.062 8.355 15.269 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -7.143 -19.216 23.419 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -6.473 -19.756 22.989 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -7.973 -19.606 23.139 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 -5.166 19.142 8.659 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 -5.836 19.002 7.989 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 -5.176 20.082 8.829 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 19.223 5.957 11.357 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 18.743 6.687 11.747 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 18.553 5.307 11.167 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 -14.861 -0.973 24.704 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 -14.241 -0.273 24.504 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 -14.341 -1.773 24.634 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 13.906 -1.736 -24.172 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 14.506 -2.016 -24.862 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 14.266 -2.126 -23.372 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 6.504 1.970 -5.791 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 6.644 2.400 -6.641 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 7.384 1.780 -5.461 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 -3.005 -20.404 20.689 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 -2.885 -21.114 20.059 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 -3.905 -20.104 20.549 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 22.314 -15.686 4.550 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 22.754 -15.176 3.880 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 21.864 -15.036 5.090 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 13.645 19.595 -17.251 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 14.235 20.315 -17.031 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 12.775 19.915 -17.011 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -20.814 -12.177 21.121 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -21.194 -11.307 21.221 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -21.404 -12.757 21.601 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 -2.645 -18.524 12.689 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 -1.685 -18.474 12.719 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 -2.865 -19.174 13.349 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 20.051 23.935 -20.617 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 19.381 23.715 -19.977 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 19.761 24.755 -20.997 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 19.736 -0.449 24.448 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 19.046 -0.829 24.988 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 19.496 -0.669 23.548 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 19.334 13.004 13.821 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 19.604 13.724 14.381 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 19.664 13.244 12.951 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 -0.229 14.244 17.629 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 -0.589 14.184 18.519 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 -0.219 13.344 17.309 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 2.776 15.567 21.037 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 2.766 15.407 20.087 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 3.696 15.747 21.237 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 6.367 -11.798 -23.359 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 5.847 -10.998 -23.279 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 5.917 -12.308 -24.029 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 8.939 -25.317 7.709 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 8.679 -25.037 6.839 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 8.839 -24.537 8.259 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 0.065 11.564 17.068 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -0.155 10.764 16.588 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 0.885 11.354 17.518 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 0.834 -5.985 -6.795 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 0.924 -6.905 -7.045 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 0.794 -5.515 -7.625 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 22.722 23.156 -16.887 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 22.992 22.236 -16.887 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 22.512 23.346 -15.977 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -22.206 -1.928 -23.223 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -22.936 -2.538 -23.333 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -22.476 -1.338 -22.523 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -15.851 0.704 17.137 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -15.091 1.034 16.667 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -15.681 0.924 18.057 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 -1.839 -5.048 -23.858 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 -2.259 -5.898 -23.708 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 -1.089 -5.038 -23.268 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 16.081 -6.550 8.685 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 16.901 -7.000 8.495 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 15.781 -6.230 7.835 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 6.486 24.316 16.859 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 7.096 24.976 17.199 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 5.746 24.826 16.539 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -23.168 -22.754 -20.511 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -23.268 -22.824 -19.561 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -22.528 -23.434 -20.731 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 18.732 -24.817 -21.986 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 18.122 -24.097 -21.806 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 18.542 -25.067 -22.886 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -0.888 22.574 22.815 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -0.778 22.614 23.764 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -0.008 22.384 22.484 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 20.984 -17.493 -4.565 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 20.654 -17.003 -3.815 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 21.904 -17.673 -4.345 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 -20.119 -20.807 -12.297 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 -20.289 -21.747 -12.207 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 -19.529 -20.597 -11.577 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 6.234 -4.904 22.975 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 6.644 -5.494 22.345 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 5.394 -4.674 22.575 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 7.404 -22.439 14.464 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 8.024 -22.989 14.934 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 7.064 -22.989 13.764 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 19.784 -3.176 -7.706 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 19.694 -4.086 -7.986 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 19.394 -2.666 -8.416 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 1.886 22.054 7.024 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 1.846 21.094 7.074 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 2.266 22.244 6.164 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -16.419 -7.390 -21.497 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -15.919 -7.130 -20.727 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -16.869 -8.190 -21.237 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 -10.674 1.916 -7.632 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 -11.364 2.556 -7.472 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 -10.404 2.066 -8.542 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 11.412 -10.115 -19.365 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 11.112 -9.805 -18.505 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 10.632 -10.095 -19.915 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 17.733 -0.295 -24.019 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 17.783 -0.035 -23.109 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 16.853 -0.035 -24.299 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 3.571 -3.442 12.325 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 3.491 -2.492 12.215 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 2.681 -3.772 12.195 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 18.077 20.547 16.167 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 18.637 20.137 15.507 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 18.027 19.897 16.867 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 22.366 2.727 -24.377 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 23.246 2.427 -24.147 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 22.306 2.587 -25.327 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -23.607 4.465 9.174 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -23.117 4.535 9.994 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -22.937 4.365 8.504 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 19.096 13.211 -22.289 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 18.956 13.071 -23.229 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 20.026 13.441 -22.219 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 5.273 -11.376 -4.559 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 5.803 -12.116 -4.279 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 5.273 -11.416 -5.519 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -12.166 -23.495 6.175 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -12.596 -24.025 6.845 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -12.626 -23.715 5.365 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 10.063 -5.253 3.144 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 10.263 -4.613 3.824 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 10.733 -5.933 3.235 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 15.910 -13.589 -21.381 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 16.240 -14.439 -21.091 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 16.210 -12.969 -20.711 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 14.081 -15.943 -16.828 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 13.591 -16.723 -16.548 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 14.971 -16.113 -16.528 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 18.936 -18.358 -21.615 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 18.806 -18.408 -20.665 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 19.886 -18.398 -21.725 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -19.745 -3.405 -14.883 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -20.455 -3.875 -15.323 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -20.035 -3.325 -13.973 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -10.779 -17.957 5.003 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -11.179 -17.957 4.133 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -11.329 -17.367 5.523 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -6.586 17.632 14.146 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -7.296 18.262 14.166 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -6.336 17.562 13.226 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 -23.747 5.555 -18.351 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 -22.997 5.275 -18.891 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 -24.347 4.805 -18.381 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 -17.505 8.744 15.818 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 -16.755 9.064 15.318 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 -18.235 8.784 15.198 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -14.319 -23.616 -0.365 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -15.139 -23.996 -0.685 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -13.869 -24.336 0.065 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -15.203 -16.900 14.467 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -15.493 -17.740 14.827 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -14.303 -16.800 14.807 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 19.542 2.943 -11.996 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 19.832 2.793 -12.896 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 20.332 2.833 -11.476 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 -3.224 5.355 -12.962 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 -3.344 6.205 -12.532 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 -3.924 5.295 -13.602 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 -9.806 10.610 23.384 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 -9.776 9.740 23.785 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 -10.556 10.570 22.785 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 16.719 3.602 14.863 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 16.319 2.762 14.623 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 16.219 3.902 15.613 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 10.766 4.391 -17.257 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 11.246 4.151 -18.037 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 11.016 5.301 -17.087 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 -23.104 -2.725 13.798 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 -22.644 -2.955 12.988 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 -23.104 -1.775 13.818 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 -23.041 24.219 -20.936 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 -22.181 24.599 -20.726 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 -22.851 23.309 -21.156 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 14.692 -19.435 -19.305 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.252 -20.145 -19.635 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 13.862 -19.545 -19.785 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 16.164 17.235 -8.127 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 16.724 18.015 -8.077 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 15.944 17.165 -9.057 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -4.457 3.916 -2.495 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -3.737 4.546 -2.385 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -5.227 4.466 -2.635 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 -22.733 11.387 -19.472 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 -21.933 11.427 -19.992 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 -23.433 11.307 -20.112 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 -15.036 -4.805 15.805 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 -15.076 -3.875 15.575 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 -14.176 -5.085 15.495 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 13.413 4.667 -14.257 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 14.303 4.737 -13.897 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 13.133 5.577 -14.367 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 8.160 -10.948 17.457 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 7.520 -10.778 16.767 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 9.000 -11.008 16.997 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 23.905 -6.925 21.387 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 23.835 -7.695 21.947 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 23.965 -7.275 20.497 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 0.893 -23.826 -9.059 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 0.443 -24.566 -8.649 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 1.373 -23.416 -8.339 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -17.794 -1.793 2.049 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -17.864 -2.673 1.679 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -17.304 -1.293 1.399 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 -22.115 -9.477 -10.379 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 -22.075 -8.717 -9.799 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 -22.985 -9.847 -10.229 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 -15.781 16.683 12.521 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 -15.951 17.063 11.651 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 -16.591 16.213 12.741 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 14.974 24.141 10.931 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 15.134 23.681 10.111 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 15.734 24.721 11.031 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 5.063 4.518 21.341 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 4.223 4.878 21.051 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 5.693 4.808 20.681 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 7.621 -10.638 23.385 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 8.351 -11.018 23.875 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 6.931 -11.318 23.435 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 3.467 -9.846 -0.517 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 2.847 -9.136 -0.357 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 2.947 -10.646 -0.427 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 18.906 -15.381 8.093 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 18.306 -16.121 8.063 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 19.776 -15.771 8.173 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 24.407 13.193 -23.055 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 23.517 13.553 -23.045 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 24.977 13.963 -22.995 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 19.145 21.413 12.994 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 19.685 20.743 12.584 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 18.765 21.903 12.254 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -4.754 -24.777 -6.027 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -4.184 -25.517 -6.237 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -5.594 -25.177 -5.807 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 -2.514 2.405 19.071 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 -3.244 2.915 19.421 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 -2.134 1.975 19.831 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 2.112 16.334 2.757 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 2.012 15.764 1.997 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 1.532 15.954 3.427 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 24.362 19.013 -24.397 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 24.452 18.313 -23.747 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 23.512 19.413 -24.187 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 16.075 9.457 -2.831 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 16.175 9.927 -3.661 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 16.915 9.027 -2.691 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 18.234 18.826 -9.286 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 18.144 19.036 -10.216 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 19.184 18.806 -9.136 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.462 10.162 0.471 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 11.412 9.952 -0.459 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 10.812 9.592 0.881 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 17.716 3.437 1.669 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 17.736 3.127 2.579 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 17.266 2.737 1.189 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 -18.189 -24.104 5.923 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 -19.079 -23.884 6.213 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 -18.249 -24.174 4.973 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 2.376 -15.025 21.999 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 1.556 -15.445 22.259 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 2.116 -14.175 21.649 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 23.364 11.363 -10.949 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 23.974 11.263 -11.679 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 23.644 12.163 -10.519 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 6.053 17.047 -21.849 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 6.393 17.937 -21.909 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 5.503 16.947 -22.619 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 21.913 -0.810 -14.355 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 21.563 -1.300 -15.095 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 21.773 0.110 -14.585 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 -0.285 2.987 8.294 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 -0.685 2.287 7.785 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 -0.215 3.717 7.675 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 24.471 -14.362 -17.215 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 23.631 -14.772 -16.995 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 24.591 -13.702 -16.535 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 21.586 14.936 -9.097 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 21.686 14.906 -10.057 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 22.326 14.416 -8.777 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 20.199 13.988 11.259 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 20.689 14.318 10.509 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 19.429 14.548 11.319 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 13.463 -16.870 23.879 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 12.723 -16.900 23.279 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 13.543 -17.770 24.199 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 -15.383 12.764 -16.901 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 -15.553 12.394 -16.031 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 -15.943 12.254 -17.491 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 14.886 17.636 17.071 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 14.386 17.166 16.401 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 14.246 18.216 17.481 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 -19.174 0.575 1.774 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 -19.624 0.485 2.614 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 -19.034 -0.325 1.484 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 14.444 8.431 -11.901 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 14.474 8.421 -10.951 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 13.614 8.861 -12.111 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -24.425 15.516 17.487 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -24.695 16.406 17.247 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -24.915 14.946 16.887 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 -15.211 -10.966 -10.969 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 -15.381 -11.756 -11.479 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 -14.381 -10.636 -11.319 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 -2.033 -6.599 -4.817 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 -1.173 -6.799 -4.437 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 -2.603 -6.449 -4.057 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 17.296 12.674 20.935 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 16.936 13.234 21.625 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 17.056 13.114 20.115 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 -12.885 1.031 12.029 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 -13.025 1.721 11.379 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 -11.935 0.921 12.059 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -1.863 -5.102 14.447 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -1.663 -5.262 13.527 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -2.823 -5.142 14.497 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 24.824 -11.529 21.403 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 25.464 -11.499 22.113 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 23.974 -11.589 21.843 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 -15.186 6.609 4.634 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 -15.086 6.829 5.564 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 -14.296 6.669 4.284 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 13.525 -7.865 2.321 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 14.395 -7.645 1.991 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 13.315 -8.705 1.911 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 2.337 -13.188 10.681 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 3.237 -12.888 10.811 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 2.427 -14.138 10.571 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 1.847 3.773 -12.613 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 2.007 4.543 -12.053 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 2.697 3.353 -12.693 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 -16.034 -11.400 -16.847 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 -16.864 -11.490 -16.367 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 -15.464 -12.050 -16.447 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 -19.017 -10.890 -6.481 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 -19.037 -11.630 -5.861 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 -18.107 -10.600 -6.461 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 18.270 2.891 24.733 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 18.620 2.111 24.303 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 18.870 3.061 25.463 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -23.186 -5.618 14.293 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -23.116 -4.678 14.193 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -23.996 -5.748 14.793 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 19.277 21.011 -16.717 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 19.007 21.411 -15.887 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 19.837 20.281 -16.457 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 -15.638 23.715 13.421 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 -16.308 23.515 14.071 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 -15.308 22.865 13.151 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 18.205 -2.174 -9.735 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 18.665 -1.674 -10.405 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 17.635 -1.544 -9.305 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 23.026 7.915 17.130 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 23.916 8.205 16.930 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 23.086 7.555 18.010 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 12.713 8.192 15.823 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 12.833 7.562 15.113 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 11.773 8.392 15.803 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -20.011 5.525 -6.495 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -19.091 5.775 -6.475 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -20.001 4.615 -6.805 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 -1.664 21.707 6.677 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 -1.114 21.487 7.427 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 -1.064 22.097 6.047 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -17.544 22.052 -15.387 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -17.924 22.902 -15.177 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -17.344 22.102 -16.327 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 24.366 -9.388 19.715 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 24.396 -10.138 20.295 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 24.326 -9.758 18.835 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.067 -14.116 -11.279 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.787 -13.526 -11.069 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.737 -13.796 -12.119 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 19.750 -4.908 12.247 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 18.950 -4.798 11.737 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 19.700 -5.798 12.587 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 2.956 -23.476 22.783 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 2.506 -22.646 22.933 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 2.726 -23.716 21.893 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 15.774 24.144 -19.631 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 15.474 24.044 -18.721 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 14.964 24.184 -20.141 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 4.096 16.834 10.571 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 3.506 16.264 11.051 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 3.896 17.714 10.891 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 0.801 -23.969 -18.259 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 1.361 -24.109 -17.499 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 1.371 -24.099 -19.009 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 11.284 -15.729 -13.055 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 11.874 -15.759 -12.305 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 11.134 -16.649 -13.275 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -25.163 15.202 3.949 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -24.713 15.602 3.209 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -24.633 15.432 4.719 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -7.627 -13.137 20.775 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -8.027 -13.457 19.965 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -7.397 -13.927 21.255 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 -23.044 18.932 -8.751 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 -23.214 18.002 -8.851 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 -22.554 19.012 -7.931 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 23.994 -13.315 11.244 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 24.844 -12.875 11.255 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 23.874 -13.585 10.334 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 -9.978 -11.940 22.391 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 -9.198 -11.670 21.901 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 -10.708 -11.730 21.801 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 16.373 14.646 19.189 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 17.183 15.026 18.839 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 15.873 15.396 19.499 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 -20.034 10.181 -8.447 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 -20.974 10.081 -8.637 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 -19.774 9.341 -8.087 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 13.224 20.725 5.069 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 13.794 21.455 4.859 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 12.564 21.095 5.659 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -21.758 22.164 23.563 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -22.098 22.034 24.453 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -20.818 22.244 23.673 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -13.014 1.774 8.941 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -12.714 0.864 8.931 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -13.824 1.774 8.431 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 19.685 -12.516 -4.525 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 20.645 -12.486 -4.475 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 19.485 -12.196 -5.405 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -7.186 -2.725 17.838 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -6.386 -2.465 17.378 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -7.246 -2.135 18.588 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -7.837 20.088 9.473 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -8.157 19.188 9.533 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -8.087 20.378 8.603 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -12.543 14.664 -22.137 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -13.133 14.444 -21.417 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -12.033 13.864 -22.287 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 17.283 -15.997 11.667 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 16.753 -15.267 11.977 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 17.083 -16.067 10.737 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 17.385 -2.456 -22.201 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 17.525 -3.256 -22.701 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 17.605 -1.746 -22.801 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 22.212 7.211 13.274 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 22.992 6.801 13.634 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 22.292 8.131 13.524 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 -2.947 10.604 -14.065 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 -2.067 10.484 -13.695 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 -3.377 11.214 -13.465 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 3.779 3.815 6.603 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 3.379 4.675 6.503 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 4.429 3.925 7.293 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 6.143 22.133 0.858 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 6.403 21.473 1.498 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 6.023 22.933 1.368 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 18.455 19.765 -12.117 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 17.525 19.985 -12.157 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 18.755 19.885 -13.017 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -10.005 9.602 9.983 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -10.765 9.772 10.533 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -10.295 8.942 9.363 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 -12.436 -1.538 21.653 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 -12.456 -2.128 22.403 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 -11.976 -2.028 20.963 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 7.467 19.936 -3.201 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 6.797 19.906 -2.531 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 7.217 20.666 -3.771 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 -5.507 21.990 20.118 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 -4.877 22.140 19.418 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 -4.977 21.910 20.908 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 4.606 17.876 1.373 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 3.756 17.466 1.213 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 4.476 18.436 2.133 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 -13.325 -16.753 22.858 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 -12.755 -17.043 22.148 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 -12.725 -16.403 23.518 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 -10.814 19.673 5.697 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 -11.534 19.193 6.097 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 -10.604 19.183 4.907 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -16.617 -23.815 9.191 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -16.117 -23.275 9.801 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -17.527 -23.605 9.381 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -22.365 11.446 17.095 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -23.315 11.396 17.074 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -22.115 11.026 17.915 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -8.754 -18.616 -4.442 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -8.274 -19.376 -4.772 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -9.434 -18.996 -3.882 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 -25.183 2.863 -21.429 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 -24.553 3.533 -21.679 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 -25.113 2.813 -20.469 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 5.542 23.573 -17.937 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 5.652 24.293 -17.317 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 6.272 23.673 -18.547 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 5.614 -6.296 -2.343 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 5.634 -5.346 -2.473 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 6.064 -6.656 -3.103 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 15.074 -0.465 -20.377 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 14.794 -0.975 -21.137 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 14.554 -0.805 -19.647 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 10.376 4.949 2.907 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 10.886 5.119 3.707 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 10.446 3.999 2.787 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 4.045 22.807 11.769 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 3.475 22.467 11.069 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 3.635 23.627 12.029 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 -4.593 23.754 -20.982 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 -3.923 23.084 -21.142 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 -4.743 24.154 -21.842 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -7.753 15.712 17.895 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 -7.113 15.702 17.185 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -7.803 14.802 18.185 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 7.156 14.458 24.297 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 6.886 14.348 25.207 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 7.236 13.568 23.957 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 21.492 -2.729 8.543 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 20.562 -2.789 8.333 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 21.802 -1.979 8.033 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 -23.814 -12.134 19.433 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 -23.114 -12.004 20.083 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 -24.424 -11.414 19.593 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 -14.794 -23.654 -12.451 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 -15.524 -23.274 -11.971 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 -14.064 -23.654 -11.831 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -21.296 20.642 3.065 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -21.466 19.702 3.004 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -21.096 20.802 3.984 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 -12.236 -13.467 -12.147 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 -12.056 -13.957 -11.337 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 -13.066 -13.817 -12.457 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 2.825 7.016 8.723 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 3.125 7.396 9.543 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 2.175 6.366 8.973 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 -11.067 10.235 -8.991 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 -10.387 10.835 -8.691 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 -11.177 10.445 -9.921 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 14.973 -10.588 12.043 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 14.623 -10.948 12.853 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 15.513 -11.298 11.683 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 -19.825 22.922 20.681 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 -19.095 22.392 21.001 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 -20.475 22.282 20.401 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -5.835 -2.374 -18.149 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -5.445 -1.584 -18.519 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -5.895 -2.984 -18.879 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 10.935 -23.325 12.101 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 10.435 -24.145 12.141 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 11.835 -23.585 12.311 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 11.366 -23.228 6.259 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 10.836 -23.018 7.029 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 12.166 -22.718 6.369 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -2.374 -22.385 -9.629 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -1.524 -22.085 -9.319 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -3.014 -21.915 -9.089 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 -21.265 12.991 -17.056 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 -21.555 13.301 -17.916 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 -21.715 12.161 -16.946 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 21.512 -2.086 -16.898 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 21.432 -2.986 -17.228 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 22.052 -1.636 -17.558 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -13.645 6.431 1.593 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -13.695 7.321 1.933 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -14.525 6.251 1.253 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -23.123 -4.947 -16.907 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -23.223 -4.157 -16.367 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -22.513 -5.497 -16.407 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 -14.204 17.354 1.649 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 -14.284 17.194 2.589 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 -13.504 16.774 1.369 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -11.068 1.962 -13.021 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -11.688 1.552 -12.411 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -10.358 2.282 -12.471 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -23.191 0.425 -21.135 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 -23.361 0.355 -20.195 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -22.431 1.015 -21.195 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 -6.397 12.957 -10.917 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 -6.297 13.827 -10.537 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 -6.577 12.377 -10.177 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 -3.933 1.650 -16.431 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 -4.803 2.040 -16.521 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 -3.753 1.670 -15.501 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -12.773 6.315 15.118 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -12.733 7.035 15.748 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -13.343 5.675 15.538 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 4.465 -22.599 -24.921 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 4.425 -23.159 -25.691 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 4.185 -23.159 -24.201 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 13.743 23.601 -24.171 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 14.103 23.171 -24.941 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 13.333 24.401 -24.521 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -22.416 -11.106 -4.029 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -21.976 -11.456 -3.259 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -22.746 -11.886 -4.489 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 7.973 -16.614 -16.885 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 7.103 -16.204 -16.885 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 7.783 -17.554 -16.915 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 -0.635 2.443 0.507 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 -0.545 3.353 0.787 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 -0.025 2.363 -0.233 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -19.185 -13.672 12.531 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -20.075 -13.992 12.661 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -18.705 -13.962 13.311 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 10.614 -18.403 -12.987 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 11.274 -18.903 -12.517 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.784 -18.713 -12.637 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 20.146 5.752 -12.636 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 19.636 5.082 -12.176 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 19.496 6.202 -13.186 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 23.755 21.603 12.773 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 24.555 21.803 12.273 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 23.525 22.433 13.193 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -23.224 22.073 -9.966 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -23.974 22.543 -9.616 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -23.114 22.423 -10.856 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 -2.158 -8.169 -7.311 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 -3.018 -8.299 -7.701 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 -2.328 -7.719 -6.491 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 -3.216 22.163 3.147 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 -2.646 22.753 3.647 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 -2.756 21.323 3.137 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -12.895 22.674 -10.702 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -12.635 22.754 -9.782 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -12.895 23.584 -11.022 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 -22.675 -17.004 3.905 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 -22.235 -17.524 3.235 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 -22.365 -17.354 4.735 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -21.995 18.394 -17.836 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -22.675 18.224 -18.486 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -22.255 17.884 -17.066 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 14.421 -18.263 -24.297 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 14.291 -17.393 -23.907 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 15.271 -18.553 -23.957 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 18.485 -18.195 18.764 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 19.255 -17.655 18.944 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 18.835 -19.015 18.424 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 5.563 -16.754 5.991 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 6.153 -16.014 6.081 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 4.883 -16.454 5.391 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 13.711 -10.546 -22.953 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 14.661 -10.616 -22.873 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 13.381 -11.426 -22.773 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -4.117 -21.309 -18.173 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -3.467 -21.869 -17.763 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -4.757 -21.129 -17.483 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 -17.655 -23.476 12.138 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 -17.555 -23.926 12.978 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 -17.565 -24.176 11.488 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -1.893 -15.246 2.801 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -2.493 -15.986 2.881 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -1.193 -15.576 2.231 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -21.571 2.485 -20.647 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -20.771 2.955 -20.857 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -22.271 3.125 -20.787 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 -16.267 -1.495 -9.423 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 -15.877 -2.115 -10.043 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 -16.077 -0.635 -9.793 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -10.628 17.475 16.774 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -9.968 17.845 17.364 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -10.138 17.205 16.005 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 10.384 -24.095 -23.943 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 10.234 -24.845 -24.513 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 9.854 -24.275 -23.163 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 -9.181 -9.154 3.401 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 -9.491 -8.594 4.121 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 -8.591 -8.584 2.901 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -23.924 11.641 11.289 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -24.824 11.461 11.549 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -23.774 11.101 10.519 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 10.353 -21.873 -7.867 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 10.523 -22.113 -8.787 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 9.953 -22.653 -7.487 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 16.305 -12.583 9.503 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 16.005 -11.833 8.993 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 17.235 -12.663 9.273 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -12.027 3.475 7.125 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -11.177 3.155 6.835 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -12.157 3.075 7.985 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 16.983 -20.432 -13.311 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 17.003 -20.422 -12.351 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 17.903 -20.322 -13.561 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 19.584 17.354 -1.583 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 19.924 17.024 -2.413 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 20.084 16.894 -0.913 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 8.473 23.735 4.639 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 8.623 23.165 5.399 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 7.623 24.145 4.809 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -19.265 -17.154 12.749 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -19.425 -17.934 13.279 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -19.275 -17.474 11.849 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -2.977 -20.903 17.639 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -3.437 -21.733 17.499 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -3.247 -20.353 16.899 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 11.737 -11.858 -4.597 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 11.067 -11.188 -4.757 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 11.767 -12.358 -5.417 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 -24.586 -18.886 23.039 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 -24.966 -18.246 23.639 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 -24.046 -18.366 22.439 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -19.926 6.412 -9.493 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.286 6.212 -8.633 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.326 5.692 -9.683 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 -10.201 -23.883 -13.163 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 -10.541 -23.643 -14.033 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 -9.271 -23.673 -13.203 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 -3.078 25.512 -14.889 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 -3.808 25.072 -15.319 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 -2.328 24.932 -15.019 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 20.481 7.454 -21.229 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 19.691 7.994 -21.209 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 20.411 6.904 -20.449 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 17.777 9.923 -5.909 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 18.737 9.933 -5.829 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 17.497 9.193 -5.359 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 19.141 3.895 13.249 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 19.071 4.755 12.839 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 18.251 3.695 13.549 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 1.789 -15.805 -4.313 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 2.219 -16.365 -4.963 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 1.659 -14.975 -4.763 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -13.378 22.585 -5.545 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -13.408 23.025 -4.695 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -14.238 22.185 -5.645 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 -23.473 -14.286 21.989 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 -23.733 -14.726 21.189 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 -23.973 -13.466 21.989 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 -19.785 -9.417 -0.567 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 -19.665 -9.147 0.343 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 -20.515 -10.037 -0.537 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 23.085 17.397 -11.933 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 23.605 17.167 -11.163 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 23.395 16.797 -12.613 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 18.104 -3.913 -24.727 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 19.054 -4.033 -24.667 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 17.734 -4.683 -24.307 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -0.520 15.843 -24.566 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -0.030 16.543 -24.976 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -1.160 15.573 -25.226 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -3.535 13.005 13.721 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -3.425 13.015 14.681 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -3.715 13.925 13.501 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -0.687 -10.135 -12.401 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -0.767 -10.925 -11.861 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -1.477 -9.635 -12.221 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 24.615 9.653 22.603 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 24.745 10.593 22.753 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 23.845 9.433 23.133 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -9.993 -9.034 -11.977 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -10.483 -9.834 -12.177 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -10.503 -8.604 -11.297 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 4.524 19.994 6.555 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 4.714 20.544 7.315 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 5.024 19.194 6.705 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -8.234 -3.412 -19.905 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -8.084 -3.822 -20.755 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -8.314 -4.142 -19.295 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 4.602 -4.048 25.085 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 5.062 -3.218 24.925 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 5.262 -4.718 24.935 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 -23.295 15.508 13.578 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 -24.215 15.638 13.358 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 -23.265 14.658 13.998 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 19.884 15.355 15.263 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 20.744 15.575 15.603 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 19.654 16.075 14.683 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 -17.313 13.249 -7.025 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 -16.483 12.989 -7.425 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 -17.233 14.199 -6.905 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -19.226 -0.737 -14.813 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -19.116 -1.687 -14.853 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -20.166 -0.607 -14.913 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 -16.883 -17.774 -17.953 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 -17.093 -16.854 -17.793 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 -16.363 -18.044 -17.193 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 -0.348 0.766 3.865 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 -0.268 0.506 4.785 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 -0.468 1.716 3.905 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 -0.499 -14.475 -23.671 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 -0.839 -15.295 -23.311 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 -1.249 -13.875 -23.651 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -14.265 -12.915 12.227 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -13.845 -12.675 11.407 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -14.295 -13.865 12.217 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 9.049 15.544 18.779 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 8.859 15.364 17.859 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 9.589 14.804 19.059 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -4.348 -0.209 -23.683 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -3.768 0.261 -23.083 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -4.258 0.261 -24.513 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -24.947 -9.629 -11.556 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -25.597 -8.949 -11.676 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -25.367 -10.269 -10.986 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 -21.724 20.682 -6.437 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 -21.564 20.752 -5.497 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 -21.294 21.442 -6.817 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -16.865 19.884 -20.899 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -17.805 19.784 -20.789 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -16.645 20.664 -20.389 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 11.850 22.195 -22.722 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 12.770 22.325 -22.502 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 11.580 23.005 -23.152 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -24.477 23.146 -3.165 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -24.357 23.106 -2.215 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -25.407 23.366 -3.275 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 6.565 -0.604 6.487 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 5.715 -0.174 6.387 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 6.625 -0.824 7.417 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.075 -24.390 -20.879 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -9.945 -24.000 -20.809 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.475 -23.640 -20.869 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 -13.214 -2.430 -7.816 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 -14.114 -2.520 -7.526 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 -12.804 -1.870 -7.146 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 4.675 -1.325 20.668 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 5.575 -1.045 20.798 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 4.345 -0.775 19.958 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 4.691 -12.081 11.425 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 4.581 -11.761 12.324 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 4.831 -11.291 10.904 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 23.837 -19.008 11.432 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 23.557 -18.848 10.532 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 23.687 -19.938 11.572 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 4.074 -12.156 17.003 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 4.104 -13.096 16.833 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 3.214 -12.016 17.393 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -18.063 -13.609 0.769 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -18.173 -14.269 1.459 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -18.493 -13.989 -0.001 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -2.436 -1.619 19.149 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -2.516 -2.169 18.369 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -2.026 -2.179 19.799 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 -3.654 -21.919 8.603 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 -4.424 -21.439 8.283 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 -4.014 -22.719 8.973 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 20.523 24.137 1.803 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 20.443 24.067 0.853 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 20.993 23.347 2.063 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 6.145 2.812 5.523 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 5.355 2.442 5.923 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 6.225 3.682 5.923 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -17.683 -4.954 16.151 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -16.733 -4.944 16.051 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -18.013 -4.504 15.371 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 12.615 -3.642 -5.867 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 12.815 -3.992 -6.737 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 12.565 -4.412 -5.307 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 -11.464 -4.545 21.633 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 -11.244 -4.025 20.863 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 -11.134 -5.425 21.443 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 -1.884 2.104 -2.787 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 -1.294 2.264 -2.057 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 -2.734 1.954 -2.387 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 5.357 17.363 -14.027 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 5.847 18.153 -13.757 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 4.497 17.693 -14.277 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 -13.000 -21.157 1.978 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 -13.790 -21.617 2.288 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 -13.170 -20.987 1.048 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 4.182 -5.408 1.593 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 4.722 -5.598 2.363 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 4.782 -5.458 0.853 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 -24.721 -16.897 -16.541 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 -24.961 -17.767 -16.861 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 -24.451 -16.427 -17.321 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 17.337 -5.938 5.963 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 17.787 -5.238 6.433 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 17.747 -6.748 6.293 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -22.026 -15.134 2.019 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -22.476 -15.874 2.429 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -22.276 -14.374 2.549 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 -9.963 3.584 -4.819 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 -9.823 2.794 -5.329 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 -9.803 4.304 -5.429 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 5.736 -17.324 14.977 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 6.346 -17.664 14.327 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 4.896 -17.734 14.767 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 6.177 -2.754 -5.983 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 5.347 -2.614 -5.523 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 6.177 -3.694 -6.183 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 10.789 12.963 -8.837 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 10.619 13.573 -8.127 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 11.399 13.433 -9.407 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 22.347 10.127 12.391 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 21.847 9.647 11.721 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 21.677 10.477 12.981 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 -16.647 -3.344 13.985 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 -16.437 -4.234 13.695 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 -16.077 -2.784 13.455 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 -13.757 18.306 -8.623 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 -14.157 18.056 -7.783 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 -12.957 18.756 -8.373 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 23.391 -19.675 -1.171 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 24.171 -19.125 -1.201 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 23.701 -20.515 -0.821 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -15.183 22.674 1.938 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -15.423 22.184 2.728 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -15.783 23.424 1.938 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 4.872 9.147 -1.022 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 5.612 9.687 -1.302 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 4.572 9.547 -0.212 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 22.392 5.915 -4.860 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 21.942 5.615 -4.070 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 23.302 5.645 -4.740 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -12.403 -16.586 -9.943 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 -12.243 -17.506 -9.723 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 -13.263 -16.576 -10.353 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 7.277 -23.230 -24.275 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 6.527 -23.340 -24.865 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 7.107 -23.830 -23.555 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -16.503 4.243 18.149 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -15.813 3.693 17.779 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -16.833 4.753 17.409 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -0.301 -17.390 -2.816 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 0.449 -16.940 -3.185 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -1.001 -16.730 -2.806 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 -8.917 -19.397 -15.842 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 -9.417 -18.627 -16.122 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 -8.097 -19.347 -16.332 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 14.604 -14.615 8.341 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 15.094 -13.875 8.711 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 15.214 -15.005 7.711 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 6.367 20.287 -8.599 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 6.457 21.027 -9.209 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 6.617 19.527 -9.119 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -10.503 -7.830 -24.409 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -10.413 -6.880 -24.269 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -11.413 -7.940 -24.679 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 -8.347 -3.853 -9.563 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 -8.947 -3.733 -8.833 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 -7.527 -4.153 -9.163 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 2.184 22.252 9.769 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 1.314 21.862 9.859 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 2.154 22.712 8.929 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 -16.517 17.173 22.761 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 -16.917 16.623 23.441 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 -15.587 16.973 22.811 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 15.304 8.282 6.957 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 15.114 8.702 7.797 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 14.624 8.612 6.367 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.474 15.123 10.131 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.364 16.023 9.831 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -20.414 14.943 10.031 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 -3.260 7.212 16.863 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 -3.080 8.022 16.393 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 -2.430 6.972 17.263 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 25.234 15.955 0.489 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 24.874 15.425 1.199 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 24.884 15.575 -0.301 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 -16.846 6.563 12.643 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 -17.076 5.673 12.403 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 -17.676 6.983 12.863 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 4.526 11.057 20.955 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 4.226 11.827 20.485 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 3.976 11.017 21.735 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.819 -20.508 -12.397 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.279 -20.178 -11.687 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 13.409 -21.128 -11.967 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 6.074 -13.068 24.043 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 5.494 -13.758 24.383 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 6.904 -13.518 23.883 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 -15.776 -21.645 -8.047 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 -15.286 -21.805 -7.237 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 -15.156 -21.175 -8.607 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 -24.663 7.423 -10.591 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 -24.973 8.023 -9.911 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 -25.383 6.803 -10.721 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 -19.896 -7.195 5.231 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 -19.696 -7.215 6.161 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 -20.826 -6.955 5.181 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 -10.594 2.282 -15.654 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 -10.424 1.962 -14.764 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 -11.244 2.972 -15.534 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 -14.855 -23.650 -21.999 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 -15.385 -23.000 -21.539 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 -14.245 -23.130 -22.529 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 2.945 24.826 -15.647 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 3.495 25.606 -15.547 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 2.885 24.456 -14.767 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 11.977 -15.557 -21.167 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 12.567 -15.857 -20.477 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 11.817 -14.627 -20.957 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 22.626 14.137 -0.346 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 22.586 13.227 -0.636 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 22.266 14.127 0.544 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 -8.097 16.354 24.371 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 -8.007 16.864 23.571 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 -8.717 15.664 24.161 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 0.910 21.423 -19.445 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 0.760 21.613 -18.525 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 1.760 20.983 -19.455 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 -9.399 10.704 -4.467 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 -9.999 9.974 -4.657 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 -8.549 10.404 -4.777 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 10.976 -17.439 13.844 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 10.176 -17.339 14.364 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 11.166 -16.549 13.534 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -5.240 -3.024 7.933 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -4.780 -2.314 8.373 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -4.700 -3.224 7.173 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 10.063 9.723 6.908 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 9.843 9.113 6.208 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 9.503 10.483 6.748 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 18.003 23.654 15.627 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 17.833 23.874 14.707 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 18.013 22.694 15.647 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -6.381 -23.444 -22.433 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -7.151 -23.914 -22.753 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -5.681 -23.724 -23.023 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 -6.506 -19.407 -19.885 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 -7.396 -19.747 -19.815 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 -5.946 -20.167 -19.695 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 -0.555 20.245 17.289 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 0.175 19.865 17.759 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 -0.485 21.185 17.449 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 22.316 -20.267 23.951 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 21.586 -20.787 23.621 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 22.886 -20.147 23.191 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 12.546 16.791 9.765 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 12.716 17.071 8.865 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 12.216 17.571 10.205 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 3.794 19.155 14.119 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 4.274 19.895 13.749 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 3.264 18.825 13.389 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 21.593 -22.339 -23.089 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.123 -21.969 -23.789 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 20.763 -21.879 -23.149 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 5.452 16.252 -6.075 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 5.112 15.582 -5.495 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 6.242 16.572 -5.645 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 -6.195 5.353 -20.421 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 -5.825 6.143 -20.021 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 -5.765 4.633 -19.971 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 23.606 15.402 -2.499 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 22.986 16.122 -2.389 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 23.376 14.772 -1.809 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 6.041 13.940 -2.676 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 5.151 13.610 -2.556 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 6.091 14.710 -2.106 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 -3.516 -23.601 1.729 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 -4.156 -24.011 2.309 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 -3.016 -23.021 2.309 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 9.234 2.684 13.093 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 8.284 2.754 13.003 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 9.584 3.064 12.283 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 4.193 22.454 -7.976 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 3.833 22.424 -7.086 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 4.743 23.234 -7.986 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 -10.786 12.205 -2.849 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 -10.366 11.975 -3.679 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -10.686 11.415 -2.309 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -6.677 -18.496 -7.695 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -6.407 -19.096 -8.395 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -5.887 -17.976 -7.505 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -13.228 -7.174 1.701 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -12.698 -6.894 0.951 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -13.988 -6.594 1.681 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 17.683 16.072 -21.305 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 18.473 15.602 -21.555 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 17.043 15.862 -21.995 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 24.253 -24.234 -4.751 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 24.583 -23.664 -4.071 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 24.473 -23.784 -5.571 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 -18.565 -15.114 -21.649 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 -17.885 -15.524 -22.179 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 -18.415 -14.174 -21.759 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 -20.014 13.572 -5.883 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 -19.704 12.792 -5.413 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 -19.234 14.102 -6.003 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 1.653 3.674 -6.202 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 1.263 3.274 -5.432 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 1.943 2.934 -6.742 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 -7.817 -23.824 16.398 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 -8.247 -23.544 17.208 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 -7.497 -23.014 15.998 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 20.285 -17.958 8.611 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 20.025 -18.688 9.171 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 21.245 -18.008 8.591 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -11.721 22.188 3.895 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -12.451 21.578 4.045 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -11.271 22.238 4.735 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 0.265 -11.344 -7.919 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 0.085 -10.754 -8.659 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 1.005 -10.944 -7.469 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 24.252 -8.279 12.525 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 23.492 -8.039 11.995 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 24.922 -8.509 11.885 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 -18.013 19.286 -15.236 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 -17.263 19.866 -15.136 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 -18.633 19.576 -14.566 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 19.114 19.829 2.467 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 19.024 20.729 2.787 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 19.164 19.909 1.517 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 9.013 -24.034 15.734 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 9.053 -24.984 15.724 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 9.543 -23.784 16.504 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 24.732 -2.474 12.005 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 25.552 -2.144 12.375 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 24.782 -3.424 12.155 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 8.955 -14.759 13.257 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 8.855 -15.099 14.137 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 9.545 -14.009 13.357 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -13.571 15.487 -24.459 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -13.261 15.407 -23.559 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -13.941 16.367 -24.519 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 24.707 -10.886 -17.151 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 24.667 -10.636 -16.231 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 25.337 -11.606 -17.181 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 19.264 5.671 2.461 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 18.754 6.071 1.751 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 18.704 4.981 2.801 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 24.285 4.315 -3.447 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 24.885 4.195 -2.707 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 23.465 3.905 -3.167 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 10.284 -6.385 19.355 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 11.224 -6.305 19.535 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 10.244 -6.765 18.475 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 22.836 17.265 5.035 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 23.166 18.085 5.394 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 22.256 17.535 4.324 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.436 -4.398 -14.732 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.936 -4.848 -14.052 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -10.806 -3.508 -14.742 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -10.296 17.096 4.835 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -9.556 17.146 5.435 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -10.996 16.666 5.335 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 -20.887 -10.515 24.479 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 -21.497 -10.575 23.749 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 -20.567 -9.605 24.459 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 -15.288 -5.238 1.429 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 -15.008 -5.388 0.519 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 -15.638 -4.348 1.419 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 -19.864 13.876 23.600 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 -20.054 14.716 24.000 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 -20.094 13.986 22.680 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -11.597 -16.254 -13.855 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -11.807 -15.374 -14.155 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -10.887 -16.544 -14.425 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -3.967 -14.626 -2.875 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -3.857 -15.526 -2.556 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -4.877 -14.596 -3.176 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 -13.427 -9.788 2.245 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 -14.377 -9.898 2.285 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 -13.297 -8.948 1.815 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 -9.629 -0.655 4.143 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 -9.559 -1.135 3.313 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 -9.119 -1.175 4.763 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -6.566 3.595 -11.089 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -7.456 3.445 -10.759 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -6.626 3.365 -12.019 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 -4.163 15.585 -7.386 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 -4.353 16.255 -6.726 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 -3.363 15.165 -7.086 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.595 1.483 9.429 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 6.855 1.303 8.849 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 8.345 1.073 8.999 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -16.246 4.616 -0.287 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -17.056 5.046 0.003 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -16.546 3.786 -0.647 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -12.656 -16.483 15.457 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -12.936 -16.903 16.267 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -12.256 -17.183 14.937 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -14.235 -9.493 -18.526 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -14.105 -8.553 -18.626 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -14.625 -9.593 -17.656 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -24.798 -6.383 16.519 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -24.778 -7.333 16.419 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -23.908 -6.153 16.769 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 22.444 16.596 -4.929 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 22.904 16.126 -4.239 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 22.654 17.516 -4.779 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -19.305 -7.108 1.948 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -19.095 -6.358 1.378 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -18.535 -7.678 1.888 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 6.010 -11.324 19.814 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 5.120 -11.364 20.154 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 6.040 -12.024 19.154 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 23.459 0.681 -18.072 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 22.699 1.071 -18.522 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 23.529 1.161 -17.252 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -2.679 -5.026 23.251 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -3.489 -5.156 23.741 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.229 -4.326 23.721 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.976 -9.977 -1.739 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 8.026 -9.857 -1.819 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.116 -10.247 -0.829 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -21.124 1.747 0.097 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -20.264 1.757 0.527 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -21.104 2.507 -0.493 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 13.162 3.914 19.261 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 13.722 3.334 19.781 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 13.362 4.794 19.581 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -20.624 -9.336 -14.319 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -20.914 -9.816 -15.089 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.364 -8.776 -14.089 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 22.097 1.546 18.099 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 22.867 1.296 18.609 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 21.357 1.466 18.709 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 6.855 16.177 -11.657 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 6.235 16.637 -12.227 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 6.485 15.307 -11.537 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 22.252 11.417 -1.475 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 22.362 11.427 -2.425 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 21.382 11.037 -1.335 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -8.635 20.506 6.849 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -8.415 21.116 6.149 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -9.275 19.906 6.449 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -8.813 -17.784 18.831 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -9.023 -18.654 18.511 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -7.933 -17.864 19.201 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 -15.994 8.684 17.949 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 -16.324 7.864 18.309 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 -16.564 8.854 17.189 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 6.452 -19.286 5.694 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 6.732 -18.746 6.424 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 5.712 -18.816 5.304 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 24.503 11.181 12.973 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 24.953 10.451 13.403 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 23.743 10.791 12.553 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 -0.885 15.158 7.275 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 -1.655 15.548 7.685 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 -0.935 14.228 7.495 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 12.114 -4.451 14.549 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 11.854 -4.271 13.649 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 12.144 -3.591 14.969 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 5.571 -19.703 11.325 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 6.421 -19.723 10.885 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.721 -20.143 12.165 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 19.790 16.543 -11.687 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 20.480 15.893 -11.817 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 20.250 17.363 -11.517 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 19.207 -12.185 21.963 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 20.107 -12.475 21.863 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 19.067 -11.585 21.233 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 -22.955 -18.966 -23.576 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 -23.185 -18.106 -23.236 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 -22.495 -18.786 -24.396 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 -15.915 20.814 12.627 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 -15.775 19.904 12.367 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 -16.835 20.974 12.447 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -17.794 -11.128 8.064 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -17.514 -10.488 8.714 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -17.024 -11.668 7.894 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -24.306 -12.224 -21.987 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -24.626 -11.654 -22.687 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -24.196 -13.084 -22.407 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -25.081 19.537 -10.813 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -24.681 20.097 -11.483 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -24.411 19.437 -10.143 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 20.892 -23.628 18.241 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 21.412 -22.938 18.651 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 19.992 -23.298 18.271 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 16.370 -18.318 3.457 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 17.090 -17.978 2.917 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 15.730 -17.608 3.477 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -3.484 -17.787 1.567 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -4.264 -17.757 1.007 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -3.834 -17.857 2.457 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -1.395 14.595 14.651 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -2.095 14.185 14.141 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -1.845 15.215 15.221 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 14.181 11.322 -2.749 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 14.361 11.272 -3.689 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 14.771 10.692 -2.349 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 -24.096 -6.818 3.781 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 -23.586 -7.008 3.001 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 -24.886 -6.378 3.461 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 -10.061 12.694 21.267 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 -10.991 12.554 21.457 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 -9.601 12.254 21.977 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 2.581 7.135 -1.036 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 3.111 7.595 -1.686 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 2.191 6.395 -1.516 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 -14.070 -13.979 7.425 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -14.790 -13.589 6.935 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 -13.580 -14.489 6.785 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -24.984 -21.507 -22.257 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -24.174 -21.007 -22.297 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -24.784 -22.257 -21.697 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 17.699 -18.265 23.677 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 18.509 -17.885 23.347 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 17.039 -17.575 23.567 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 -16.783 19.807 -3.743 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 -17.003 18.907 -3.523 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 -16.343 20.147 -2.953 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 9.119 22.175 22.525 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 9.829 22.085 21.885 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 8.639 22.955 22.245 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 22.413 -5.996 11.101 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 21.733 -5.336 11.141 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 22.563 -6.246 12.011 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 11.517 16.863 13.945 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 11.277 17.333 14.735 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 12.127 17.433 13.485 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 21.661 -22.347 15.117 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 22.071 -21.497 15.287 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 22.191 -22.957 15.637 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 6.183 15.076 -19.789 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 5.623 15.206 -19.029 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 5.963 15.796 -20.379 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -12.545 6.892 4.699 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -12.375 7.792 4.429 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -11.675 6.482 4.719 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -14.079 -12.044 15.889 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -14.949 -12.194 16.269 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -14.189 -11.284 15.319 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -11.774 9.812 12.238 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -11.454 9.032 12.698 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -12.104 10.372 12.938 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -9.576 4.542 23.817 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -9.636 4.162 22.947 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -10.436 4.922 23.977 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 5.365 -5.274 -6.840 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 5.735 -5.614 -7.660 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 4.975 -6.044 -6.420 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 17.887 -1.004 13.525 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 18.447 -0.644 12.835 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 18.467 -1.144 14.265 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -7.515 13.485 -13.343 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -6.865 13.825 -13.973 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -7.045 12.835 -12.833 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -3.006 -4.826 7.161 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -2.146 -4.976 7.541 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -3.166 -5.586 6.601 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -14.794 1.464 21.547 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -14.874 0.574 21.197 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -15.694 1.734 21.727 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 -11.607 -23.939 -21.527 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 -11.777 -23.449 -22.337 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 -11.917 -24.829 -21.717 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 17.187 22.983 6.558 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 16.577 23.663 6.268 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 17.917 23.043 5.958 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 -22.517 -13.167 13.659 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 -22.077 -12.367 13.959 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 -23.437 -12.907 13.549 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 -25.227 11.206 -16.049 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 -24.377 11.456 -16.399 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 -25.717 10.876 -16.809 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -5.503 -24.507 -13.249 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -5.683 -23.827 -13.899 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -4.633 -24.837 -13.479 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 -12.066 -18.954 20.915 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 -11.636 -19.684 20.465 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 -12.786 -19.374 21.405 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 8.782 6.150 18.231 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 9.492 6.230 18.861 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 9.212 6.200 17.371 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 22.942 8.056 -13.597 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 23.312 7.216 -13.887 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 22.042 7.856 -13.367 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -16.866 -24.098 -19.372 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -16.306 -23.378 -19.662 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -17.106 -24.558 -20.172 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 14.287 -8.276 10.607 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 14.727 -9.086 10.887 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 14.987 -7.626 10.597 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -16.434 3.852 3.597 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -15.964 3.672 2.777 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -16.044 4.652 3.927 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 -13.984 1.433 -21.903 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 -13.184 1.003 -22.173 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 -14.044 2.213 -22.453 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 16.663 6.712 0.048 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 17.503 7.112 -0.212 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 16.023 7.102 -0.552 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 7.103 11.003 -1.801 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 7.403 11.803 -2.231 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 7.803 10.783 -1.191 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 2.625 21.496 16.471 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 3.085 21.696 17.291 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 2.455 20.556 16.521 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 5.975 5.654 -15.987 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 5.505 4.994 -16.507 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 5.935 6.444 -16.527 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 22.169 10.523 16.354 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 22.549 9.733 16.735 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 21.369 10.213 15.914 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -15.165 21.273 -7.943 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -15.775 20.713 -8.423 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -15.305 21.053 -7.023 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 -14.586 10.384 11.287 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 -14.106 9.594 11.037 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 -13.966 10.894 11.807 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 16.223 2.852 19.007 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 16.443 1.972 18.707 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 15.623 3.192 18.347 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 24.184 23.904 9.061 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 24.384 24.494 9.781 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 24.974 23.904 8.511 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 17.755 -20.279 0.249 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 17.215 -20.909 -0.221 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 17.225 -19.479 0.269 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 9.513 -20.238 10.719 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 9.443 -19.948 11.629 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 10.213 -20.888 10.729 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -21.896 7.977 12.948 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -21.236 7.287 13.008 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -21.416 8.787 13.158 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 11.542 -18.667 -18.855 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 11.382 -18.887 -17.945 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 11.632 -17.717 -18.865 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -3.025 -19.216 -4.779 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -3.735 -18.586 -4.679 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -2.275 -18.686 -5.049 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -23.501 23.703 15.137 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -24.311 23.763 14.627 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -23.381 22.763 15.287 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 15.205 -5.408 -10.605 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 14.255 -5.448 -10.705 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 15.485 -4.728 -11.215 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -0.824 10.254 23.745 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -1.244 9.514 24.205 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -0.004 9.884 23.415 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 -16.045 -19.738 13.771 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 -15.375 -19.098 13.501 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 -15.585 -20.568 13.821 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 10.780 -10.955 7.844 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 10.690 -10.005 7.744 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 11.180 -11.235 7.024 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -20.445 -25.005 -10.631 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -20.295 -24.505 -9.831 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -21.225 -24.605 -11.021 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 23.771 -12.275 -5.073 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 24.301 -12.665 -4.383 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 23.531 -13.015 -5.633 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 2.513 21.076 25.119 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 2.513 21.736 24.419 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 3.303 20.556 24.969 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 -4.298 21.115 -14.729 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 -3.458 20.675 -14.649 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 -4.818 20.565 -15.309 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -23.665 -6.596 -19.051 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -23.625 -5.896 -18.391 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -23.745 -6.126 -19.881 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -6.151 -23.817 -8.952 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -5.871 -22.997 -8.542 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -5.801 -24.507 -8.402 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 22.521 13.046 -17.127 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 22.371 12.146 -16.867 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 23.371 13.036 -17.567 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 13.896 -1.209 -6.497 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 13.746 -2.069 -6.107 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 13.476 -0.589 -5.907 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 5.707 15.134 6.741 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 6.317 15.184 7.471 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 6.107 14.534 6.121 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 9.375 -7.765 -14.717 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 9.245 -6.865 -14.417 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 9.205 -8.305 -13.947 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -23.585 5.643 12.528 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -24.405 6.133 12.478 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -22.895 6.303 12.418 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 13.703 -22.876 -11.336 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 12.793 -22.846 -11.046 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 13.743 -23.626 -11.926 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 16.473 1.022 21.185 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 15.953 1.762 20.875 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 17.333 1.402 21.395 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -20.933 -11.576 2.327 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -20.113 -11.096 2.247 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -21.053 -11.696 3.277 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 1.851 12.764 5.504 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 1.031 12.944 5.044 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 2.301 13.604 5.534 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 9.717 10.522 11.795 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 10.307 10.522 11.045 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 10.227 10.132 12.505 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 1.323 -21.676 8.289 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 0.473 -21.686 7.849 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 1.583 -20.756 8.279 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 0.766 -2.036 20.135 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 0.096 -2.626 20.465 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 0.936 -2.346 19.245 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 8.884 -0.746 -4.478 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 8.204 -0.946 -3.828 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 9.244 -1.606 -4.718 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 8.435 -23.659 5.457 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 8.495 -23.989 4.557 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 7.675 -23.069 5.447 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 25.242 -18.168 -6.923 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 24.472 -17.898 -7.413 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 25.202 -19.118 -6.923 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 23.365 -23.690 1.457 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 22.895 -22.870 1.657 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 24.265 -23.410 1.287 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 11.234 19.169 15.304 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 10.674 19.899 15.574 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 11.684 19.499 14.524 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 24.774 16.863 -22.748 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 25.294 16.083 -22.568 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 24.294 17.013 -21.928 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -19.714 -22.816 -9.157 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -19.404 -22.966 -8.267 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -19.554 -21.886 -9.317 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -12.971 -18.839 17.425 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -13.451 -19.599 17.085 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -12.051 -19.029 17.225 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 23.124 -10.656 5.265 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 23.174 -9.866 4.725 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 22.994 -11.366 4.645 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 4.664 11.217 8.025 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 4.354 12.117 7.945 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 4.074 10.817 8.665 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 4.307 24.911 24.375 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 3.757 25.621 24.045 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 4.067 24.841 25.305 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 24.456 20.304 -3.699 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 24.756 19.664 -4.349 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 25.266 20.644 -3.309 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 -14.719 18.304 -21.855 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 -15.209 19.044 -21.495 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 -15.029 17.554 -21.345 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 -12.763 -2.828 -0.563 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 -13.153 -2.088 -0.083 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 -12.213 -3.268 0.087 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 16.033 -17.764 -15.343 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 16.843 -18.254 -15.513 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 15.803 -17.984 -14.433 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 18.842 -3.747 -0.777 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 19.772 -3.827 -1.007 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 18.372 -4.027 -1.567 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 0.225 20.556 11.901 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 -0.185 19.806 12.331 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 0.445 21.156 12.621 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 10.482 -1.907 6.767 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 10.332 -2.707 6.267 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 10.042 -2.057 7.597 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -2.655 -12.308 -8.339 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 -2.225 -12.538 -7.509 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -2.025 -11.738 -8.779 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 18.004 5.203 -3.579 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 17.104 4.893 -3.459 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 18.524 4.403 -3.679 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 -0.327 1.346 -20.377 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 -0.497 1.346 -19.437 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 -0.067 2.246 -20.577 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -17.306 -17.424 -6.505 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -17.296 -16.564 -6.925 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -18.216 -17.704 -6.575 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 17.146 -6.037 -8.635 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 17.896 -5.987 -9.225 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 16.426 -5.637 -9.125 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 -7.604 7.344 -21.841 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 -7.604 6.464 -21.461 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 -6.984 7.294 -22.561 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 24.053 -14.925 -4.104 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 23.233 -15.325 -4.384 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 24.023 -14.985 -3.144 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -15.489 -13.413 23.711 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -15.959 -12.673 24.071 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -15.179 -13.113 22.851 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 2.727 -10.854 5.901 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 3.067 -10.104 6.381 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 1.877 -10.564 5.571 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 -12.804 -23.291 -14.845 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 -12.824 -23.771 -14.015 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 -12.664 -23.971 -15.505 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 4.292 -19.594 8.515 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 3.752 -18.824 8.315 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 4.772 -19.344 9.305 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 -9.453 -16.684 -7.901 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 -9.513 -15.964 -7.271 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 -8.573 -17.024 -7.791 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -11.703 -7.509 8.908 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -12.653 -7.589 9.048 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -11.453 -6.759 9.448 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 20.912 5.627 20.189 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 20.372 4.857 20.299 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 21.292 5.547 19.319 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 3.344 -17.305 -23.013 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 3.824 -18.135 -23.043 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 3.304 -17.025 -23.933 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 -16.070 23.276 -10.359 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 -15.920 22.706 -11.119 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 -15.200 23.406 -9.979 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 12.029 23.807 9.645 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 12.829 23.487 10.075 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 12.259 23.897 8.725 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 3.014 -16.701 24.653 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 3.854 -16.921 24.243 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 2.534 -16.231 23.973 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 5.417 -19.813 -1.693 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 6.087 -20.473 -1.533 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 5.147 -19.523 -0.823 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 6.672 1.614 2.793 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 6.702 1.944 3.693 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 7.572 1.684 2.473 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 23.645 -23.497 -20.975 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 24.365 -23.767 -21.555 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 23.055 -23.007 -21.545 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 2.854 9.874 23.227 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 3.664 9.394 23.077 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 3.124 10.684 23.657 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 -8.054 -11.084 8.839 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 -7.464 -10.334 8.919 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 -8.824 -10.734 8.389 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 -10.086 -19.227 16.163 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 -9.356 -19.007 15.583 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 -9.696 -19.777 16.843 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 19.574 -23.980 13.863 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 20.104 -24.740 14.073 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 19.934 -23.270 14.383 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 13.912 -6.048 15.934 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 13.332 -6.748 16.234 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 13.362 -5.488 15.394 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 6.795 -1.304 25.075 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 5.935 -1.234 24.665 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 7.265 -1.944 24.535 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 13.775 24.984 -0.015 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 14.625 24.614 0.235 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 13.505 25.494 0.745 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -20.494 -6.256 -22.142 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -20.434 -5.306 -22.102 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -19.584 -6.556 -22.072 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -14.385 -0.338 -17.869 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -14.135 0.052 -18.709 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -15.065 0.242 -17.529 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -19.528 -9.376 3.153 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -19.498 -8.556 3.643 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -20.448 -9.636 3.173 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 -12.620 7.653 17.549 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 -13.380 8.223 17.669 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 -12.040 7.863 18.279 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 2.257 13.734 -12.821 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 2.017 13.314 -11.991 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 2.957 13.184 -13.171 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 -16.635 12.238 8.745 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 -16.195 11.738 8.055 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 -16.385 11.798 9.555 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -16.363 -9.895 3.103 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -17.123 -9.635 2.583 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -16.313 -9.235 3.793 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -16.548 -21.526 -23.489 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -16.968 -21.176 -24.269 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -16.268 -20.756 -22.989 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 -15.029 -2.228 16.714 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 -14.749 -1.958 17.584 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 -15.799 -1.678 16.535 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 0.057 1.232 10.689 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -0.893 1.332 10.739 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 0.377 2.102 10.439 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 12.525 15.704 -2.105 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 11.935 14.994 -1.855 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 11.945 16.384 -2.455 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 15.114 -4.982 11.034 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 15.644 -5.272 11.774 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 15.454 -5.452 10.285 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 10.805 12.186 20.645 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 10.645 11.996 21.565 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 11.755 12.256 20.575 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 -5.243 -21.726 5.348 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 -4.443 -21.386 4.968 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 -5.483 -21.076 6.018 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 25.146 17.805 16.303 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 24.736 18.265 17.033 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 25.186 18.455 15.603 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 14.351 -0.967 21.183 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 14.981 -0.337 21.533 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 14.311 -1.657 21.843 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 -2.407 -3.876 -18.592 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 -1.857 -4.626 -18.842 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 -2.797 -3.586 -19.422 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 22.443 23.033 24.531 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 21.983 23.193 25.361 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 22.173 22.153 24.271 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 -1.559 20.843 -17.272 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 -2.379 20.403 -17.482 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 -0.889 20.323 -17.722 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 22.552 -7.367 8.594 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 22.712 -6.667 9.224 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 22.762 -8.177 9.065 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 17.944 23.416 19.503 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 18.354 22.586 19.283 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 17.884 23.876 18.663 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 -11.896 -23.976 -18.567 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 -11.366 -24.626 -18.107 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 -11.636 -24.056 -19.487 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 -17.078 -6.401 -17.623 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 -17.018 -5.841 -16.853 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 -17.858 -6.081 -18.083 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 24.563 8.963 -8.833 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 23.783 9.183 -9.343 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 24.243 8.343 -8.173 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 1.004 -16.706 -16.576 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 1.414 -17.576 -16.566 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 1.164 -16.366 -15.696 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 13.606 -24.253 12.324 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 13.886 -25.013 11.834 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 14.206 -24.213 13.065 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 18.912 -16.127 -16.083 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 19.392 -15.537 -15.493 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 18.042 -16.187 -15.703 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 15.534 4.732 -3.298 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 15.084 5.282 -2.648 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 14.874 4.562 -3.968 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 -19.606 23.832 -19.399 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 -19.516 23.042 -18.869 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 -19.076 24.492 -18.949 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 5.647 -11.423 6.721 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 5.487 -12.333 6.471 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 4.807 -10.993 6.611 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 -2.914 6.189 14.481 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 -2.734 7.039 14.091 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 -3.334 6.399 15.321 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 11.809 -24.705 14.720 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 11.119 -24.045 14.730 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 12.549 -24.285 15.160 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 1.379 -2.625 -0.103 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 1.389 -3.305 -0.783 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 0.449 -2.415 0.007 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 22.022 -23.785 -2.255 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 21.422 -24.495 -2.015 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 21.922 -23.145 -1.555 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -13.208 -15.587 -0.385 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -13.048 -16.437 0.015 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -12.358 -15.327 -0.745 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.516 -11.314 -6.827 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.776 -11.024 -5.947 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -16.196 -11.934 -7.087 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 9.206 -2.176 -21.836 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 9.936 -1.846 -22.366 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 9.506 -3.036 -21.536 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 21.476 1.585 -7.295 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 21.266 1.575 -6.365 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 20.636 1.475 -7.735 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -24.724 -7.707 -7.521 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -24.184 -7.457 -6.771 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -24.924 -8.627 -7.381 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 -12.434 -25.145 -10.957 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 -12.364 -24.805 -10.067 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 -11.534 -25.195 -11.267 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 1.974 13.745 0.983 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 1.554 13.065 0.453 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 2.704 14.045 0.443 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 3.833 -14.488 -14.099 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 3.863 -15.378 -14.449 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 2.923 -14.228 -14.159 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -24.674 -10.576 4.751 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -24.514 -9.636 4.691 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -25.614 -10.676 4.571 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 24.046 9.083 -22.141 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 23.416 8.623 -21.581 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 23.496 9.573 -22.751 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -9.766 11.764 -18.007 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -8.856 11.504 -18.107 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -9.756 12.404 -17.297 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 8.394 -9.716 -8.029 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 8.604 -9.786 -7.099 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 7.684 -9.076 -8.059 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 9.497 24.975 1.059 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 10.237 25.395 0.599 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 8.737 25.205 0.529 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 22.213 5.357 -22.819 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 22.223 4.447 -23.109 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 21.623 5.367 -22.069 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 -3.694 -9.204 20.948 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 -4.034 -10.034 20.588 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 -4.394 -8.884 21.518 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 19.884 6.837 7.899 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 19.444 6.407 8.629 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 19.654 7.767 7.989 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 21.674 -1.127 6.407 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 20.974 -0.547 6.117 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 22.454 -0.567 6.467 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 2.471 9.246 4.023 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 1.661 9.296 3.513 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 2.291 8.576 4.693 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -7.096 15.290 -23.783 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -7.776 15.540 -23.153 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -7.446 15.570 -24.633 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 13.202 16.992 22.147 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 13.192 16.062 21.937 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 13.052 17.032 23.097 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -20.138 -19.248 21.507 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -19.808 -20.108 21.767 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -20.648 -19.418 20.717 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 -1.117 16.955 -15.457 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 -0.247 16.725 -15.127 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 -1.377 17.705 -14.927 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 18.861 -11.620 11.759 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 19.781 -11.420 11.589 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 18.861 -12.550 11.999 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -8.304 -21.847 -4.491 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -8.424 -22.197 -5.381 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -8.674 -22.507 -3.921 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.406 20.326 20.729 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.216 19.406 20.909 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 21.006 20.806 21.449 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -4.094 3.474 8.237 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -5.034 3.634 8.217 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -3.704 4.344 8.137 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 -2.429 -14.223 -21.699 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 -2.889 -14.863 -22.249 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 -2.509 -14.573 -20.809 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -22.466 -14.085 -8.457 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -22.856 -14.925 -8.197 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -21.526 -14.245 -8.437 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -16.135 -2.086 -0.697 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -15.325 -1.716 -1.047 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -16.815 -1.786 -1.297 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 -6.705 18.737 24.153 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 -7.085 19.567 24.443 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 -5.805 18.757 24.473 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 16.177 -20.026 15.885 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 16.387 -20.766 16.465 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 16.787 -20.126 15.145 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 12.872 -23.697 24.278 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 12.112 -23.647 24.848 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 13.052 -22.797 24.028 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 1.015 -18.169 13.377 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 1.955 -18.379 13.417 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 0.995 -17.229 13.177 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 -16.525 11.904 -14.483 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 -15.695 12.154 -14.073 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 -16.945 11.314 -13.853 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -12.646 -2.556 -12.785 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -12.586 -2.106 -13.635 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -11.766 -2.496 -12.425 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 21.705 13.842 -12.215 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 21.985 12.982 -11.895 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 20.875 13.672 -12.655 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -4.217 -25.457 -3.246 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -3.337 -25.247 -2.926 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -4.417 -24.757 -3.866 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 13.146 -21.796 -15.473 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 14.026 -21.576 -15.783 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 13.106 -21.456 -14.583 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 11.167 24.924 -18.999 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 11.197 24.264 -19.699 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 11.037 25.754 -19.469 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 -8.147 19.856 1.566 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 -7.977 19.166 0.916 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 -8.017 19.426 2.406 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 2.304 17.893 -16.995 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 1.534 17.703 -17.535 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 3.044 17.583 -17.515 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 24.776 -23.647 -7.483 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 24.526 -22.957 -8.093 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 25.666 -23.417 -7.213 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 8.160 7.546 4.244 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 9.020 7.476 4.674 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 7.900 8.456 4.364 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 23.716 -3.425 -24.113 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 24.156 -3.365 -24.963 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 24.086 -2.705 -23.603 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -11.717 -13.906 15.830 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -12.117 -13.706 16.670 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -11.787 -14.856 15.740 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 -7.335 -6.887 -16.647 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 -6.745 -7.527 -17.057 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 -8.165 -6.987 -17.117 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 21.329 10.896 -16.032 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 21.279 10.186 -15.382 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 20.419 11.066 -16.272 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -13.755 15.197 -16.657 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -13.045 15.127 -17.287 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -14.025 14.287 -16.507 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 -9.264 9.737 3.638 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 -9.154 8.787 3.568 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 -9.184 9.917 4.578 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -17.406 17.337 -17.513 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -17.336 18.037 -16.863 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -18.346 17.207 -17.623 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 -14.905 -18.625 -5.593 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 -14.315 -18.885 -6.293 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 -15.625 -18.185 -6.043 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 17.324 1.271 -17.133 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 17.954 0.741 -17.643 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 17.794 2.081 -16.953 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 -24.601 8.867 4.703 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 -25.051 9.677 4.933 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 -24.171 9.067 3.863 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 9.573 -22.387 -20.561 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 10.433 -22.277 -20.961 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 9.273 -23.247 -20.851 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 0.885 7.899 15.094 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 1.375 8.649 14.755 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 1.425 7.559 15.804 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.175 14.435 13.443 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 14.545 14.945 12.723 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 14.935 14.025 13.863 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 3.477 3.593 -2.117 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 4.037 4.173 -1.597 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 4.087 3.113 -2.677 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -13.205 -8.405 24.174 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -13.215 -9.335 23.944 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -14.035 -8.255 24.624 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 9.535 -10.875 -22.767 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 9.745 -10.885 -21.837 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 8.965 -10.115 -22.877 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 16.275 15.304 -5.716 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 15.335 15.444 -5.796 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 16.625 16.164 -5.456 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 -15.815 -21.015 3.293 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 -16.225 -20.155 3.203 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -15.175 -20.905 3.993 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 21.453 0.915 1.911 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 20.593 0.535 2.111 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.263 1.655 1.341 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 9.183 -8.438 3.104 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 8.833 -7.978 3.874 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 10.003 -8.828 3.404 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -15.484 -3.657 5.093 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -14.534 -3.637 5.133 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -15.674 -4.237 4.353 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 15.452 12.015 12.787 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 16.262 12.195 13.277 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 15.632 11.215 12.307 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -7.285 -18.578 -23.917 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -7.555 -19.458 -24.177 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -6.805 -18.238 -24.677 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -1.821 21.795 -9.109 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -2.451 21.155 -8.769 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -2.321 22.315 -9.739 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -20.877 19.103 10.568 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -21.837 19.083 10.588 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -20.617 18.953 11.468 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 20.273 -9.907 5.793 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 20.813 -10.697 5.773 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 19.493 -10.127 5.293 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 19.573 7.753 0.207 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 19.963 7.933 -0.653 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 20.283 7.893 0.827 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 -24.271 -20.438 -8.036 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 -25.141 -20.618 -8.396 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 -23.761 -20.158 -8.796 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 -20.523 -9.118 15.861 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 -19.593 -9.028 15.621 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 -20.993 -8.648 15.171 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -20.144 2.012 23.117 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -20.394 1.102 23.267 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -20.444 2.202 22.227 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -2.545 5.663 7.602 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -2.485 6.113 6.762 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -2.815 6.343 8.222 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 24.176 13.257 1.859 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 25.086 13.487 1.639 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 24.216 12.347 2.139 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 4.079 6.043 19.075 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 3.949 6.953 18.815 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 4.589 5.663 18.365 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 15.833 -6.346 20.207 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 16.413 -6.796 20.817 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 16.413 -5.976 19.547 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -14.727 -6.804 21.705 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -15.427 -6.984 22.325 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -14.287 -6.034 22.055 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 -17.893 -16.959 3.561 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 -17.793 -17.029 4.511 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 -17.373 -16.189 3.331 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 7.619 -10.225 -17.229 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 7.089 -10.995 -17.449 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 7.529 -9.655 -17.979 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 -20.394 -18.777 -0.712 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 -20.544 -19.487 -0.072 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 -20.914 -19.027 -1.472 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 -24.444 -4.648 24.138 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 -24.254 -3.838 24.618 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 -24.154 -4.468 23.238 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 22.376 20.544 -17.127 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 21.766 20.994 -17.717 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 22.366 19.634 -17.427 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -7.685 -4.335 20.081 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -7.975 -3.925 19.271 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -6.735 -4.275 20.051 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 -10.554 -20.960 25.259 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 -10.134 -21.550 24.639 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 -10.854 -20.220 24.729 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 -22.967 -1.380 -5.136 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 -22.027 -1.230 -5.266 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 -23.027 -1.750 -4.246 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 9.582 9.528 19.696 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 9.542 9.178 20.596 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 9.912 10.418 19.806 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 6.626 10.740 -24.459 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 6.786 9.820 -24.689 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 6.946 11.230 -25.219 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 -22.185 -22.788 1.073 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 -22.085 -21.978 1.563 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 -21.305 -22.988 0.753 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 5.623 -21.777 22.158 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 4.793 -22.177 21.908 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 5.783 -21.127 21.468 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 -2.313 -21.115 -2.401 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 -2.853 -21.285 -3.181 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 -2.333 -20.165 -2.291 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 -13.633 -18.675 -25.297 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 -13.523 -17.875 -25.817 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 -13.053 -18.555 -24.547 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 -20.547 21.532 -1.251 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 -20.397 20.662 -0.871 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 -21.187 21.942 -0.681 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 11.977 22.125 0.045 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 11.027 22.275 0.065 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 12.117 21.415 0.665 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 22.747 21.161 4.924 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 23.277 20.641 5.534 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 21.887 20.741 4.934 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 15.194 -3.574 -13.533 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 14.384 -3.294 -13.093 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 15.574 -2.764 -13.863 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 -19.473 -2.904 17.411 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 -19.323 -3.154 16.501 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 -18.813 -2.234 17.591 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 0.226 14.097 -10.545 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 0.006 14.167 -11.475 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 -0.424 14.637 -10.095 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 -19.010 17.199 21.299 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 -19.810 17.329 21.789 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 -18.310 17.269 21.949 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 17.094 -14.045 21.633 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 17.814 -13.415 21.723 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 16.884 -14.295 22.533 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 -4.900 4.896 23.309 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 -4.090 4.996 23.809 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -5.290 4.086 23.649 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 1.237 17.615 20.699 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 1.827 16.865 20.639 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 0.687 17.545 19.909 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 -22.795 3.225 13.668 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 -21.875 3.195 13.408 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 -23.165 3.945 13.148 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 -8.723 -8.936 -4.511 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 -8.583 -7.986 -4.471 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 -9.673 -9.026 -4.611 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -2.577 2.122 10.283 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -2.397 2.752 10.973 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -2.537 2.632 9.473 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 -10.564 24.455 -5.809 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 -11.064 23.885 -5.229 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 -9.754 23.975 -5.989 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 -12.953 7.766 -24.576 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 -13.493 7.126 -25.046 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 -13.403 7.886 -23.736 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 5.174 -9.225 16.718 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 5.764 -9.695 16.128 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 5.714 -9.015 17.478 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 7.316 5.695 -7.665 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 8.046 5.225 -7.275 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 7.456 6.605 -7.425 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 17.602 1.152 10.285 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 18.332 1.732 10.505 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 17.892 0.682 9.505 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 -13.497 21.264 5.975 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 -14.247 21.284 6.575 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 -13.297 20.334 5.875 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -4.536 6.964 -1.578 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -5.246 7.584 -1.388 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -3.856 7.504 -1.978 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 22.973 24.744 -8.379 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 23.573 25.404 -8.029 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 23.023 24.034 -7.739 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 -0.104 -8.581 11.377 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 -0.994 -8.321 11.627 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 -0.064 -8.391 10.437 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 16.853 4.434 -8.407 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 16.923 3.514 -8.137 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 16.233 4.424 -9.127 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 -19.289 9.255 11.367 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 -18.449 9.415 10.917 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 -19.939 9.295 10.677 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -16.736 -4.934 -24.483 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -17.566 -4.454 -24.393 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -16.236 -4.694 -23.693 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 16.793 16.576 -12.917 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 16.713 16.036 -12.127 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 16.983 17.456 -12.587 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -23.488 -7.056 7.453 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -24.128 -7.386 6.823 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -23.778 -6.166 7.643 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -10.465 -7.089 5.791 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -10.665 -6.299 6.301 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -10.505 -7.799 6.431 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -19.896 -15.820 19.997 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -19.456 -15.950 19.157 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -19.216 -15.940 20.647 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 3.507 -22.188 -2.477 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.027 -21.398 -2.627 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 2.707 -21.868 -2.057 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.461 -20.138 -22.567 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.151 -20.228 -23.467 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.681 -19.938 -22.057 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 12.002 -17.486 1.081 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 11.092 -17.216 1.061 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 12.492 -16.706 0.791 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -6.747 -10.159 11.911 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -7.567 -10.049 11.431 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -6.347 -9.289 11.921 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 4.624 -10.274 9.245 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 5.034 -10.554 8.435 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 4.064 -9.534 8.995 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 2.056 -15.128 -18.847 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 2.106 -15.638 -18.037 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 1.566 -15.678 -19.457 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 -5.507 -14.077 -5.925 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 -5.997 -14.767 -5.465 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 -5.797 -14.147 -6.835 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 22.340 -2.066 1.773 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 23.010 -1.386 1.893 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 21.540 -1.576 1.593 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -9.009 11.486 -24.544 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -8.959 10.616 -24.134 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -9.529 11.336 -25.334 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -4.355 -8.653 3.995 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -4.125 -8.933 3.115 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -5.295 -8.843 4.075 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -4.903 4.670 17.303 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -4.463 4.060 16.703 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -4.183 5.090 17.783 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -1.486 0.376 -17.529 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -2.396 0.096 -17.659 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -1.526 0.966 -16.779 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -1.937 22.881 15.409 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -1.877 22.101 15.969 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -1.027 23.121 15.239 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -24.465 22.237 11.725 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -24.225 23.017 11.235 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -23.635 21.847 11.985 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 5.526 7.882 -22.441 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 4.946 7.212 -22.821 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 6.216 7.382 -22.011 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -0.794 8.051 -2.459 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -1.244 7.871 -3.289 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 0.076 7.671 -2.569 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 -24.879 -5.167 10.663 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 -25.609 -5.797 10.603 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 -24.869 -4.747 9.803 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 22.429 -24.359 -10.856 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 21.609 -23.939 -11.106 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 22.219 -24.839 -10.056 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 17.055 -24.126 10.094 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 16.165 -24.006 9.754 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 17.595 -23.566 9.534 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 19.876 24.107 5.024 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 20.776 24.307 4.774 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 19.866 23.157 5.134 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 24.040 13.567 20.697 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 24.800 13.487 20.117 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 23.280 13.487 20.117 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -8.829 -9.193 -22.521 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -8.649 -10.013 -22.981 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -9.779 -9.113 -22.521 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 1.735 -15.915 15.647 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 0.995 -15.835 15.047 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 2.395 -15.315 15.297 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 -1.409 13.353 24.051 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 -0.949 12.513 24.101 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 -2.219 13.213 24.541 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 -15.925 -18.533 18.777 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 -15.725 -19.343 18.317 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 -16.825 -18.643 19.077 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 -8.276 -1.697 12.199 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 -9.206 -1.487 12.229 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 -7.936 -1.417 13.049 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 -19.005 21.657 -4.767 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 -18.585 22.207 -5.417 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 -19.915 21.957 -4.747 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.586 21.863 -6.415 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.926 21.993 -5.535 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -7.206 22.323 -6.985 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -0.410 0.213 24.041 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -0.600 -0.697 24.241 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 0.030 0.553 24.821 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 6.730 -19.548 -11.261 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 7.340 -18.838 -11.051 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 5.910 -19.098 -11.471 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -15.694 8.436 -21.333 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -15.454 9.346 -21.533 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -16.494 8.286 -21.833 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -7.803 -21.174 -24.053 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -7.243 -21.924 -23.873 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -8.673 -21.544 -24.153 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 -19.535 11.222 -19.925 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 -19.875 11.582 -20.745 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 -19.355 10.302 -20.125 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -24.715 15.346 -5.485 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -24.225 14.796 -6.095 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -25.325 14.756 -5.055 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 4.801 8.315 10.373 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 5.371 8.195 9.623 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 4.711 9.265 10.463 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 18.402 -24.475 -14.643 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 19.152 -23.915 -14.453 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 17.852 -23.955 -15.223 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 -22.866 -23.175 18.091 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 -22.986 -23.155 19.031 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 -23.746 -23.185 17.721 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -6.674 2.927 -16.308 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -7.554 3.227 -16.538 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -6.814 2.157 -15.758 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -19.625 -8.374 19.978 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -20.575 -8.364 19.868 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -19.485 -8.904 20.768 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 12.855 -20.785 24.705 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 13.485 -20.345 24.135 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 12.165 -20.145 24.845 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -21.746 23.255 -5.315 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -22.306 22.485 -5.265 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -22.196 23.845 -5.915 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 7.445 12.047 11.831 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 8.075 11.337 11.791 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 7.975 12.837 11.941 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 17.571 13.077 4.381 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 16.911 12.577 4.871 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 17.631 12.627 3.531 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 -10.037 24.260 18.699 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 -10.207 24.920 19.369 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 -10.857 23.760 18.639 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 7.023 -10.107 15.139 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 6.903 -9.227 14.799 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 6.643 -10.677 14.469 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 19.294 20.677 -21.933 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 18.704 19.917 -21.953 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 18.764 21.397 -22.273 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 11.665 -19.037 -6.350 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 12.205 -19.407 -5.650 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 11.205 -19.787 -6.720 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 15.817 -17.306 -12.669 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 15.027 -16.766 -12.629 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 16.127 -17.346 -11.759 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 24.385 -3.122 5.460 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 23.845 -2.402 5.780 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 25.075 -2.702 4.940 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 2.689 22.220 4.485 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 2.539 21.560 3.814 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 2.639 23.060 4.024 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 20.454 -18.140 5.609 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 20.574 -17.290 5.169 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 20.124 -17.920 6.479 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 21.021 -3.259 -3.759 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 20.981 -2.699 -4.529 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 20.731 -4.119 -4.069 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 4.413 19.084 16.903 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 5.063 19.774 17.053 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 4.383 18.984 15.953 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 10.526 0.302 -7.753 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 9.816 0.332 -8.403 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 10.306 -0.448 -7.193 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 12.285 -16.155 -8.196 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 12.685 -16.995 -8.386 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 11.345 -16.325 -8.216 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -22.723 -1.056 -12.567 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -23.273 -0.966 -11.797 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -22.593 -0.156 -12.877 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 -6.588 11.616 -18.339 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 -6.638 10.876 -18.949 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 -5.958 11.336 -17.669 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 6.803 2.814 11.969 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 7.513 2.754 11.339 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 6.043 3.074 11.449 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 -8.485 22.562 4.723 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 -8.285 23.492 4.603 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 -7.765 22.102 4.293 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 -11.024 2.784 -20.829 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 -10.724 2.884 -19.929 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 -11.914 3.124 -20.829 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -3.778 3.465 -10.021 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -3.328 4.145 -10.531 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -4.598 3.875 -9.741 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 10.752 20.466 -20.885 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 10.082 20.636 -20.225 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 11.522 20.956 -20.595 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -19.923 -0.973 11.561 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -20.553 -1.183 10.871 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -19.203 -0.533 11.101 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 15.566 19.147 22.513 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 15.256 19.697 23.233 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 15.336 19.627 21.723 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -3.917 6.855 -23.359 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -4.597 7.355 -23.819 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -3.997 5.965 -23.709 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 16.735 -8.476 -0.445 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.405 -8.006 -0.955 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.615 -7.936 0.345 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -17.487 9.226 6.589 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -18.357 9.536 6.849 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -17.567 8.266 6.609 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 24.396 -6.634 24.927 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 25.136 -6.194 24.517 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 23.776 -6.784 24.207 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 13.907 8.076 18.171 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 13.407 7.946 17.361 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 14.687 8.566 17.891 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 -20.667 -4.885 18.961 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 -20.437 -4.825 19.891 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 -20.117 -4.225 18.541 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 17.124 -24.477 12.898 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 17.224 -24.407 11.948 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 18.004 -24.627 13.218 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 -1.695 24.911 -19.503 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 -1.625 24.831 -18.553 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 -1.915 25.831 -19.653 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -22.593 1.984 -5.211 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -22.453 1.324 -4.531 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -23.533 1.964 -5.371 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 9.312 -22.649 -2.492 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 9.522 -22.189 -1.672 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.152 -23.009 -2.782 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 -10.453 -19.786 -0.291 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 -10.503 -19.746 -1.251 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 -10.263 -20.706 -0.101 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -21.374 5.157 25.201 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -20.714 4.537 25.521 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -21.424 4.987 24.261 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 17.476 12.013 -16.055 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 16.886 12.473 -16.655 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 17.026 12.053 -15.215 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -13.120 23.445 20.429 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -13.250 24.115 21.099 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -12.790 23.935 19.669 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 24.522 -4.415 14.228 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 24.372 -5.075 14.908 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 25.012 -3.725 14.678 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 21.476 -22.365 -17.317 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 21.876 -22.705 -18.117 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 20.586 -22.715 -17.337 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 -23.051 -7.038 11.597 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 -23.141 -6.728 12.497 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 -23.681 -6.518 11.097 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 7.396 -15.597 -13.891 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 8.256 -16.027 -13.901 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 7.046 -15.747 -14.771 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 13.954 -25.301 -4.685 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 13.904 -24.921 -5.566 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 14.434 -24.651 -4.176 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 13.056 -22.784 -6.477 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 12.206 -23.204 -6.597 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 12.866 -21.974 -6.007 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 -16.988 15.567 -25.211 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 -16.908 14.837 -24.591 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 -16.178 16.077 -25.081 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -7.517 -9.269 19.354 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -8.167 -9.669 18.764 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -7.527 -8.339 19.124 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -24.906 -12.913 -12.049 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -24.876 -12.383 -12.849 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -24.066 -13.383 -12.039 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 -12.749 16.831 -11.819 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 -11.909 16.801 -11.359 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 -12.949 17.761 -11.879 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -11.774 -4.597 9.614 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -10.864 -4.407 9.864 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -12.294 -4.137 10.274 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 6.431 5.322 24.223 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 5.871 4.862 23.593 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 6.621 4.672 24.903 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -5.488 12.096 -8.103 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -6.158 11.676 -7.563 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -5.358 12.956 -7.703 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -1.516 8.084 -16.143 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -0.876 7.844 -15.473 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -2.366 8.014 -15.703 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 16.217 -11.786 -1.027 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 16.817 -11.036 -1.057 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 15.457 -11.496 -1.527 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -5.753 -5.513 -21.055 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -6.583 -5.793 -21.425 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -5.573 -6.153 -20.365 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 -6.897 -21.344 1.855 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 -6.777 -20.464 1.495 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 -6.267 -21.884 1.395 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 13.171 4.906 7.991 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 12.991 3.976 8.081 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 14.111 4.956 7.801 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 10.366 -11.871 10.365 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 9.966 -11.371 9.655 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 11.076 -11.321 10.685 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -21.033 0.164 -8.807 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -20.523 -0.146 -9.557 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -21.653 -0.536 -8.627 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 8.042 -6.585 16.859 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 8.922 -6.255 16.719 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 7.552 -6.295 16.079 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -22.073 -9.608 4.013 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -22.443 -8.788 3.683 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -22.813 -10.228 3.983 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -12.059 -11.678 -6.607 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -12.359 -12.268 -5.907 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -11.209 -12.028 -6.857 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 5.606 -8.763 -8.657 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 5.736 -8.923 -9.587 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 4.976 -9.433 -8.387 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -0.146 18.816 -25.007 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 0.314 19.496 -25.497 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 0.364 18.736 -24.197 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -11.544 -6.587 -20.932 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -11.724 -6.907 -20.052 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -11.964 -5.737 -20.972 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 21.844 -5.015 0.769 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.524 -5.285 1.379 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 21.534 -4.165 1.109 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 22.522 -22.419 21.787 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 22.732 -23.259 22.187 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 21.622 -22.519 21.467 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 8.179 -10.627 6.075 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 8.609 -11.457 6.255 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 7.269 -10.767 6.325 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -6.337 -4.554 -0.477 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -7.237 -4.714 -0.757 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -5.787 -4.944 -1.157 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 0.423 2.453 18.319 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 0.593 1.993 19.139 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -0.437 2.123 18.039 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -17.087 19.073 2.201 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -16.417 19.703 2.471 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -17.827 19.253 2.781 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 24.461 -21.926 -0.621 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 24.051 -22.306 -1.401 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 24.931 -22.666 -0.211 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 1.356 -21.568 -1.021 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 0.496 -21.938 -1.221 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 1.226 -20.618 -1.101 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.925 1.087 15.039 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 10.535 1.867 14.629 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 11.865 1.267 15.019 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 17.257 -9.398 16.544 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 16.837 -8.548 16.714 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 17.747 -9.258 15.724 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 -0.517 20.125 -7.181 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 -0.937 19.515 -7.791 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 -1.067 20.915 -7.211 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -8.507 -6.696 -11.607 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -8.127 -6.396 -12.437 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -8.827 -7.576 -11.797 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 20.843 -24.889 24.335 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 21.763 -24.959 24.595 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 20.443 -25.709 24.635 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 -7.545 -17.185 -1.266 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 -7.035 -16.525 -0.795 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 -8.045 -17.625 -0.586 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -18.473 -19.935 -24.961 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -17.643 -19.635 -25.311 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -18.673 -19.325 -24.251 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -12.937 18.952 -18.277 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -12.847 18.122 -18.737 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -12.967 18.702 -17.347 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 14.169 23.171 -16.967 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 13.319 23.211 -16.527 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 14.799 23.471 -16.307 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 9.847 19.837 5.671 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 9.937 20.587 6.251 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 9.247 20.137 4.991 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 23.394 9.746 0.787 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 22.814 10.256 0.207 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 23.064 8.856 0.737 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 0.582 1.612 -23.723 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 1.472 1.902 -23.563 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 0.432 0.912 -23.083 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -8.228 0.653 -16.773 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -9.138 0.903 -16.603 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -8.278 0.093 -17.553 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 -19.166 -11.886 -24.513 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 -19.686 -11.506 -25.223 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 -19.576 -11.546 -23.713 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 -17.154 -6.473 -14.236 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 -17.894 -7.063 -14.066 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 -16.964 -6.083 -13.386 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 10.935 -18.689 24.273 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 10.885 -18.049 23.563 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 10.665 -19.519 23.873 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -17.275 -13.467 -19.233 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -17.655 -13.757 -20.063 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -17.415 -12.527 -19.213 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 -9.133 -23.596 -24.671 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 -9.113 -23.796 -25.611 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 -9.793 -24.196 -24.321 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 14.752 -1.877 5.177 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 14.612 -2.577 5.817 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 14.142 -2.067 4.467 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -23.204 10.875 23.165 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -23.304 11.825 23.245 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -23.924 10.605 22.585 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.684 -1.855 6.007 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -3.234 -2.625 5.657 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.694 -1.235 5.287 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 -0.495 -24.484 -11.443 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 -0.205 -24.134 -10.603 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 -1.245 -23.944 -11.683 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -9.091 -13.518 -12.116 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -9.281 -14.438 -11.946 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -8.181 -13.408 -11.856 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -18.405 -12.665 19.946 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -19.225 -12.495 20.416 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -18.275 -13.605 20.036 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 10.125 -22.696 -10.483 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 10.145 -23.216 -11.283 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 9.305 -22.966 -10.053 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 -19.043 17.815 -21.725 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 -18.283 17.255 -21.595 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 -19.333 18.025 -20.835 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 15.442 -22.979 18.958 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 15.792 -22.739 19.818 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 14.982 -22.199 18.658 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 20.113 8.582 19.219 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 19.243 8.232 19.419 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 19.943 9.362 18.699 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 7.706 -14.896 -1.607 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 6.886 -15.246 -1.267 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 8.286 -15.646 -1.657 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 16.033 -2.738 19.447 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 15.583 -3.528 19.737 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 15.613 -2.028 19.927 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 13.176 13.583 21.565 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 13.536 12.853 21.055 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 13.656 13.563 22.395 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 -21.580 7.177 1.415 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 -21.880 7.817 0.765 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 -22.370 6.957 1.905 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -16.593 21.826 -24.827 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -17.083 21.466 -24.097 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -16.823 22.756 -24.837 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 15.116 -25.334 6.510 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 14.266 -24.944 6.700 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 15.476 -24.804 5.800 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 8.706 23.895 -24.223 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 8.636 23.925 -23.273 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 7.896 23.465 -24.503 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 -5.406 3.974 -22.939 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 -5.756 4.314 -22.119 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 -6.176 3.764 -23.459 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 0.277 -19.814 -13.343 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 0.727 -19.594 -12.533 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 -0.073 -20.694 -13.203 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -10.927 -1.097 -20.189 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -10.887 -1.417 -19.289 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -10.017 -0.967 -20.449 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -18.794 16.903 18.051 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -19.174 17.613 18.561 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.974 17.273 17.711 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 -13.147 -10.799 23.101 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 -12.257 -11.129 22.971 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 -13.657 -11.199 22.401 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 -17.353 10.524 21.307 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 -17.773 10.504 20.447 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 -16.823 11.314 21.297 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 7.935 -2.219 -12.526 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 7.875 -3.169 -12.406 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 8.275 -2.109 -13.406 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -12.761 15.251 5.129 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -12.501 14.961 4.259 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -13.681 14.991 5.209 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -8.319 4.914 -18.079 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -7.689 4.404 -18.589 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -8.219 5.814 -18.409 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -19.544 4.134 15.815 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -19.484 4.474 14.925 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -19.134 4.794 16.355 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 11.874 -8.476 15.524 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 12.024 -8.666 16.454 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 11.874 -9.336 15.104 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -24.955 11.021 -3.731 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -25.525 11.771 -3.881 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -24.675 10.761 -4.611 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -5.016 -8.834 -8.151 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -5.346 -8.094 -8.661 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -5.666 -8.954 -7.451 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 -9.206 -8.527 -17.717 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 -10.146 -8.447 -17.847 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 -9.096 -9.377 -17.287 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -3.624 10.633 22.269 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -4.444 10.313 22.659 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -3.154 11.033 22.999 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -24.457 12.920 -0.656 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -24.167 13.350 -1.466 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -23.847 13.230 0.014 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -10.431 19.947 -0.939 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -10.331 19.497 -0.109 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -10.551 20.867 -0.699 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 6.184 16.566 -1.267 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 5.814 17.406 -1.007 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 5.854 15.956 -0.607 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 -18.436 20.547 21.101 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 -18.056 20.197 21.901 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 -17.906 20.187 20.391 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 22.444 15.541 -14.331 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 22.014 14.941 -13.731 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 22.044 15.371 -15.181 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 3.343 3.873 -10.141 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 3.613 3.523 -9.291 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 3.863 3.383 -10.781 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.185 -3.478 -22.427 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.475 -2.578 -22.567 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -15.495 -3.708 -21.557 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -21.851 15.507 -1.465 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -21.141 14.867 -1.475 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -22.321 15.347 -2.285 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 3.085 16.934 -1.405 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 3.585 17.644 -1.795 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 2.335 17.364 -0.995 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 16.146 -13.191 15.569 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 15.936 -14.101 15.379 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 17.096 -13.141 15.519 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 22.780 23.723 -0.147 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 22.880 24.663 -0.007 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 22.570 23.643 -1.077 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 19.636 -23.268 -6.085 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 18.926 -23.898 -5.965 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 20.016 -23.488 -6.945 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 -15.544 12.712 -11.821 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 -15.314 13.602 -11.571 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 -16.404 12.562 -11.421 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 6.395 -8.145 22.111 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 6.565 -9.045 22.401 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 7.245 -7.835 21.791 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 -24.325 4.922 -11.895 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 -23.775 5.572 -11.455 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 -25.155 4.952 -11.425 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 18.726 -11.037 -19.871 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 19.296 -10.617 -19.231 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 19.156 -11.877 -20.061 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 15.196 -20.525 -16.941 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 15.166 -20.135 -17.821 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 14.596 -19.985 -16.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 17.262 11.758 7.359 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 17.232 11.448 8.269 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 17.532 12.668 7.429 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -22.157 9.495 3.027 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -21.557 8.745 3.007 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -21.697 10.185 2.557 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 -10.624 -24.985 -2.619 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 -9.924 -24.405 -2.939 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 -10.194 -25.525 -1.949 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 -15.803 -11.326 18.333 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 -16.693 -11.266 18.003 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 -15.423 -10.466 18.163 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 16.024 24.434 -22.571 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 15.444 24.874 -23.191 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 16.104 25.054 -21.841 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -17.493 -4.227 18.593 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -18.203 -3.597 18.463 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -17.443 -4.707 17.773 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 2.975 -5.097 14.961 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 3.675 -4.477 15.141 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 3.135 -5.387 14.061 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -18.524 -24.087 22.901 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -17.854 -23.937 23.571 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -19.314 -23.697 23.261 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 5.511 -3.086 -21.827 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 6.011 -2.376 -22.227 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 6.151 -3.776 -21.657 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 -23.056 16.937 -15.853 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 -23.916 17.257 -15.573 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 -22.946 16.117 -15.363 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 0.350 -11.945 -1.769 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 -0.090 -11.095 -1.739 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 1.130 -11.775 -2.319 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 3.062 -8.265 20.845 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 2.292 -7.985 21.345 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 3.722 -7.605 21.035 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 24.886 6.224 9.014 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 24.606 5.964 8.134 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 25.586 5.614 9.235 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -11.825 12.637 -5.847 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -11.885 11.997 -6.557 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -12.605 12.497 -5.317 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 -10.785 10.754 -11.641 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 -11.625 10.474 -12.001 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 -10.135 10.274 -12.151 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 -21.320 24.034 13.419 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 -22.220 23.914 13.709 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 -21.340 24.854 12.919 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 -4.231 0.217 20.664 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 -3.321 0.087 20.404 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 -4.741 -0.233 19.984 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 -20.270 16.015 -17.269 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 -21.150 16.225 -16.959 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 -19.910 15.425 -16.599 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 16.045 21.025 -12.944 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 15.365 21.695 -12.904 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 16.385 21.065 -13.834 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 -4.047 -18.117 4.279 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 -4.587 -17.477 4.749 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 -3.737 -18.717 4.949 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 11.473 24.345 -1.466 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 11.753 23.605 -0.926 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 12.283 24.795 -1.706 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 11.137 -13.894 -18.419 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 10.577 -13.374 -17.839 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 10.727 -14.764 -18.409 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 9.684 21.231 2.899 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 9.904 22.151 3.039 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 10.504 20.821 2.619 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 -10.058 3.970 21.306 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 -10.668 3.400 20.846 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 -9.198 3.720 20.976 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 -16.588 17.935 16.385 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 -16.038 17.545 15.695 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 -17.388 18.195 15.925 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 6.654 -5.457 20.331 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 7.584 -5.247 20.461 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 6.434 -5.017 19.511 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 24.353 -15.996 21.063 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 25.173 -16.486 21.003 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 23.693 -16.586 20.713 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 -11.054 -5.943 17.398 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 -11.784 -6.573 17.368 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 -11.354 -5.203 16.868 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 -4.875 24.196 -23.803 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 -4.915 25.006 -24.323 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 -4.255 23.636 -24.283 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 -24.906 -0.755 -0.605 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 -25.526 -0.485 -1.285 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 -25.096 -1.685 -0.465 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 16.445 -11.238 -23.269 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 16.805 -11.648 -24.049 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 17.135 -11.318 -22.609 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 -9.934 20.847 11.278 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 -9.364 20.277 11.808 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 -9.424 21.007 10.488 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -13.431 -18.195 -20.235 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -13.331 -17.815 -21.105 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -14.131 -17.685 -19.835 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 -11.504 -12.028 6.810 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 -10.784 -11.948 6.190 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 -12.284 -11.738 6.330 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 11.534 10.076 -12.233 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 11.004 9.506 -12.793 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 10.904 10.446 -11.613 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 -19.673 -18.035 9.271 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 -19.193 -18.705 8.781 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 -20.063 -18.515 10.001 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -23.217 -11.018 -19.035 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -23.637 -10.168 -19.085 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -23.307 -11.388 -19.915 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 8.994 -19.598 -20.229 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 9.094 -20.518 -20.479 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 8.814 -19.148 -21.059 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 -23.974 5.547 -5.409 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 -23.104 5.927 -5.289 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 -24.324 5.477 -4.529 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -13.216 18.623 17.187 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -13.956 18.753 16.597 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -12.626 18.043 16.697 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 25.045 -20.606 -12.495 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 25.125 -21.526 -12.255 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 24.945 -20.616 -13.455 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 8.144 -6.518 -8.867 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 8.734 -6.728 -8.147 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 7.964 -7.358 -9.277 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 4.684 -20.225 -20.211 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 4.454 -20.685 -21.011 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 3.844 -19.945 -19.841 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 18.745 14.492 -9.419 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 18.715 14.842 -10.309 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 19.635 14.672 -9.129 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 5.932 -4.568 11.925 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 5.842 -4.338 11.005 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 5.092 -4.318 12.315 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 6.869 19.683 -13.855 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 7.329 19.523 -14.675 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 6.289 20.423 -14.055 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -18.807 16.445 4.307 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -18.867 16.395 3.357 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -18.107 15.825 4.537 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 18.236 -1.147 -0.405 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 19.086 -0.747 -0.565 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 18.286 -1.997 -0.865 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 11.642 -13.588 16.567 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 11.382 -13.238 15.707 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 12.342 -14.208 16.367 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 -21.929 -17.019 18.661 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 -21.359 -16.409 19.131 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 -21.829 -16.769 17.741 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 11.325 -7.908 -12.207 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 11.925 -8.648 -12.117 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 11.885 -7.128 -12.127 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -11.545 24.417 8.288 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -10.605 24.227 8.268 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -11.945 23.747 7.738 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 2.254 19.195 3.691 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 3.024 19.105 4.241 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 2.054 18.295 3.421 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 -16.195 13.463 -3.807 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 -16.295 14.383 -4.057 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 -15.255 13.363 -3.647 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 -22.475 21.244 13.231 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 -22.445 21.164 14.181 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 -21.565 21.374 12.971 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -6.725 8.672 -4.489 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -6.635 7.762 -4.769 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -7.025 8.612 -3.579 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 -0.575 -21.420 10.803 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 -0.765 -20.520 10.543 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 0.295 -21.600 10.453 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 18.506 -5.197 21.203 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 19.036 -4.487 20.853 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 18.746 -5.247 22.133 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 -19.983 -2.940 24.759 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 -20.573 -2.350 25.229 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 -19.133 -2.840 25.199 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -22.043 2.816 -9.361 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -22.413 3.526 -8.841 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -21.433 2.376 -8.771 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 11.135 13.077 -2.421 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 11.635 12.507 -1.831 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 10.705 12.477 -3.021 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 22.383 6.866 -0.446 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 23.173 7.346 -0.706 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 22.383 6.896 0.514 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 23.906 6.658 -24.619 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 23.526 6.218 -23.859 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 24.846 6.678 -24.429 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 5.462 -12.417 -12.989 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 4.802 -12.147 -12.349 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 4.982 -12.967 -13.609 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 24.057 21.311 8.638 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 24.117 21.061 9.558 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 24.447 22.181 8.598 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 18.484 -7.446 19.119 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 18.724 -7.236 20.019 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 19.074 -6.916 18.579 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 2.185 -5.637 -23.559 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 2.105 -4.687 -23.609 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 2.075 -5.927 -24.469 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 -15.746 -13.298 -12.085 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 -15.536 -13.298 -11.155 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 -15.386 -14.118 -12.415 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 5.827 14.032 3.495 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 5.597 13.352 4.115 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 5.927 13.582 2.655 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -14.107 -21.164 16.474 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -13.327 -21.644 16.754 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -14.827 -21.784 16.604 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 19.733 1.816 -19.348 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 19.903 1.106 -18.738 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 19.363 2.516 -18.818 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 -18.657 12.554 -10.014 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 -19.437 12.004 -9.964 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 -18.337 12.614 -9.114 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -24.356 23.353 2.775 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -24.896 22.653 2.405 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -23.906 22.953 3.505 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 18.261 24.393 -12.451 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 17.521 24.713 -11.941 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 18.051 24.623 -13.361 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -22.295 -8.055 19.619 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -22.555 -8.235 18.719 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -23.005 -7.535 19.989 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 4.415 -12.287 14.181 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 3.605 -12.807 14.121 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 4.655 -12.327 15.101 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 -9.054 -14.324 18.865 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 -8.614 -14.474 18.025 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 -9.604 -15.094 18.995 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 8.686 22.837 -20.457 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 9.536 22.657 -20.877 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 8.346 23.607 -20.907 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -5.976 -1.089 23.455 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -5.376 -0.729 22.805 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -6.806 -1.189 22.985 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 -1.283 -16.976 -22.889 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 -0.603 -17.526 -22.499 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 -2.003 -16.986 -22.249 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 1.942 9.823 -20.001 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 2.172 9.283 -20.751 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 1.452 9.243 -19.421 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -25.346 -12.656 -2.581 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -25.406 -12.376 -1.671 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -24.456 -12.996 -2.671 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 -22.698 -3.406 8.791 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 -21.998 -2.776 8.641 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 -22.288 -4.266 8.661 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.945 15.254 -23.107 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 8.865 15.454 -22.957 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 7.495 15.594 -22.327 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 13.994 -5.159 1.081 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 13.584 -5.889 0.611 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 13.614 -5.179 1.951 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 9.389 -0.418 -1.159 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 9.489 -0.408 -0.209 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 9.249 0.502 -1.399 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 -16.013 -14.029 17.873 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 -15.113 -14.199 17.593 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 -16.103 -13.079 17.833 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 -8.029 17.675 -20.771 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 -8.909 17.395 -21.031 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 -7.639 16.905 -20.361 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 22.866 2.643 23.297 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 23.806 2.623 23.507 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 22.676 1.743 23.027 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 22.176 -12.488 19.245 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 22.646 -12.068 18.525 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 22.746 -13.208 19.525 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 10.904 -2.037 22.539 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 11.014 -2.707 23.209 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 10.664 -2.527 21.759 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 -0.685 -12.765 -16.025 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 -1.225 -12.555 -15.265 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 -1.315 -12.955 -16.725 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 1.085 5.551 -20.662 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 1.265 5.381 -21.582 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 0.465 4.871 -20.402 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -20.626 0.842 20.304 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -20.486 -0.098 20.204 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -20.246 1.222 19.504 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -25.185 -15.309 5.392 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -24.595 -15.139 4.662 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -24.615 -15.349 6.162 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -19.997 -13.076 -4.443 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -19.297 -12.746 -3.883 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -19.537 -13.526 -5.153 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 3.275 -6.945 -1.251 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 3.285 -6.765 -0.311 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 4.125 -6.645 -1.561 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -22.044 23.275 9.504 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -22.094 22.895 8.625 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -21.654 22.585 10.044 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -6.909 -6.547 -6.725 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.999 -6.727 -6.955 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -7.319 -6.277 -7.545 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 8.195 -15.056 8.267 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 8.675 -15.566 8.917 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 7.535 -14.576 8.767 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -12.188 -7.898 -11.172 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -11.998 -7.298 -11.902 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -12.758 -7.388 -10.592 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -4.336 9.434 -2.527 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -4.236 8.974 -3.357 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -3.516 9.904 -2.407 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 -14.605 1.974 -19.533 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 -14.455 1.624 -20.413 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 -14.945 2.864 -19.693 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 17.822 -4.627 -5.987 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 17.192 -4.317 -5.337 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 17.642 -4.097 -6.757 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 6.734 7.114 15.827 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.794 6.934 15.837 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 6.884 7.654 16.597 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 3.092 -24.785 -10.297 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 2.182 -24.485 -10.287 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 3.612 -23.975 -10.317 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -11.647 6.180 23.171 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -12.517 5.800 23.281 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -11.447 6.050 22.241 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 9.606 -15.858 -4.576 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 9.726 -16.438 -5.326 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 10.176 -16.228 -3.896 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 -1.256 8.937 -7.241 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 -0.726 9.727 -7.081 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 -1.626 8.717 -6.391 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 20.684 0.692 4.771 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 21.154 1.162 4.081 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 20.814 1.212 5.561 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -13.476 2.935 23.714 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -13.066 3.365 22.964 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -13.696 2.055 23.394 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 11.667 9.891 9.445 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 11.717 10.821 9.215 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 11.067 9.511 8.805 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -13.497 -21.209 -0.597 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -13.797 -22.109 -0.567 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -13.567 -20.969 -1.527 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 7.032 -13.007 -9.846 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 7.492 -13.677 -10.356 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 7.642 -12.777 -9.146 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 -19.215 6.477 -23.166 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 -19.465 5.877 -23.875 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 -18.265 6.437 -23.146 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 9.631 0.104 11.879 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 9.211 0.214 11.019 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 9.231 0.784 12.429 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 0.320 12.732 14.158 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 0.800 12.772 14.988 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -0.470 13.242 14.308 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 12.415 4.912 -2.879 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 11.465 5.012 -2.799 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 12.775 5.552 -2.269 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 -24.776 2.684 -24.199 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 -25.136 2.514 -23.329 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 -24.306 3.514 -24.109 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 21.283 6.207 -18.473 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 22.093 6.077 -17.983 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 20.963 5.327 -18.653 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 1.383 5.281 -2.579 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 1.773 4.431 -2.399 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 0.663 5.101 -3.179 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 -21.813 -4.047 -13.441 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 -21.983 -4.907 -13.051 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 -21.743 -3.457 -12.681 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 19.187 -6.326 -19.303 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 18.587 -5.986 -18.653 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 19.707 -5.566 -19.583 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -1.253 -21.417 7.083 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -2.063 -21.687 7.533 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -1.503 -20.647 6.573 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 24.735 -21.298 8.763 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 24.295 -22.128 8.593 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 25.055 -21.018 7.903 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -16.875 -10.887 -19.331 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -16.075 -10.817 -19.851 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -16.575 -10.937 -18.421 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 2.417 23.654 20.228 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 2.267 24.284 19.528 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 1.597 23.154 20.278 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 -22.164 -22.929 -7.423 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 -21.344 -22.439 -7.343 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 -22.624 -22.509 -8.143 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 5.245 5.334 8.151 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 4.695 6.104 8.281 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 5.835 5.324 8.901 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -13.826 -20.795 -13.967 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -13.236 -21.555 -14.007 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -13.366 -20.175 -13.407 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 22.193 -9.426 -8.702 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 22.493 -8.546 -8.922 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 22.523 -9.976 -9.412 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 23.661 -14.583 -11.049 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 24.211 -14.183 -11.719 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 23.511 -15.483 -11.359 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -21.765 -11.485 -0.353 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -21.235 -11.345 0.427 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -22.075 -12.385 -0.273 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -7.029 -14.628 -8.391 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -6.199 -14.918 -8.781 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -7.699 -14.898 -9.011 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -10.145 -17.888 8.299 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -9.775 -18.598 7.779 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -10.785 -17.468 7.729 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -11.095 15.167 12.167 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -10.645 14.327 12.267 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -11.025 15.367 11.237 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 1.144 -16.329 4.118 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 0.434 -16.589 3.528 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 1.904 -16.799 3.788 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 23.299 24.092 -3.612 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 23.619 24.952 -3.882 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 22.349 24.182 -3.622 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 4.115 -15.166 1.533 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 3.475 -15.776 1.163 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 4.955 -15.606 1.403 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 13.516 -19.866 15.813 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 14.426 -19.726 15.573 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 13.056 -19.946 14.983 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 16.444 -6.627 1.503 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 16.574 -7.027 2.363 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 16.034 -5.787 1.683 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 20.955 21.613 18.119 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 20.605 22.513 18.129 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 21.075 21.403 19.049 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 11.276 -0.007 1.133 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 11.466 -0.677 0.473 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 11.006 -0.507 1.903 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -18.745 -13.446 -12.723 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -19.355 -12.836 -12.313 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -17.875 -13.096 -12.523 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 0.345 -16.393 9.223 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 0.225 -17.183 8.693 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 0.105 -15.683 8.633 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 18.714 -7.277 -1.581 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 19.434 -7.877 -1.751 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 18.404 -7.017 -2.451 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 -1.385 -2.817 -25.431 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 -1.215 -3.637 -24.961 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 -1.115 -2.137 -24.821 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 21.364 -1.607 -6.155 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 22.064 -2.167 -6.485 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 20.564 -2.027 -6.465 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -2.565 11.715 -0.926 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -3.025 12.545 -0.876 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -3.005 11.155 -0.286 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 -18.736 6.200 0.667 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 -19.586 6.640 0.607 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 -18.816 5.630 1.437 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 5.095 -15.595 20.189 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 4.565 -14.805 20.099 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 4.495 -16.315 19.979 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 -16.548 -21.173 -13.795 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 -16.858 -22.063 -13.655 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 -15.608 -21.273 -13.935 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 20.579 24.232 21.203 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 20.599 23.392 21.653 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 20.519 24.882 21.903 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 1.794 -23.506 2.329 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 2.114 -24.406 2.319 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 1.484 -23.346 1.429 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.938 9.345 -5.636 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -15.478 8.585 -5.396 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -14.118 8.965 -5.956 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -5.684 -16.687 6.331 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -6.304 -17.327 5.991 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -5.714 -16.807 7.281 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 18.933 22.366 -14.499 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 18.163 22.846 -14.189 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 19.633 23.016 -14.529 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 -12.404 -12.706 2.103 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 -12.554 -12.506 1.183 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 -13.284 -12.866 2.463 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 8.659 -6.187 -23.153 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 8.129 -6.887 -22.773 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 9.459 -6.627 -23.453 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -8.636 11.685 -8.291 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -8.106 11.365 -7.561 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -9.036 12.495 -7.961 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 -24.675 -19.784 1.603 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 -25.025 -19.264 0.883 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 -24.545 -20.654 1.233 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 13.876 6.473 20.404 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 13.986 7.123 19.714 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 13.296 6.893 21.044 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 -5.603 -7.255 -10.233 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 -6.353 -6.805 -9.853 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 -5.783 -7.295 -11.173 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 17.024 8.349 -12.671 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 16.184 7.939 -12.471 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 17.344 8.679 -11.821 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 13.366 -15.637 20.803 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 13.916 -15.587 20.023 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 13.986 -15.687 21.533 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 -3.734 -8.008 -23.003 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 -4.684 -7.948 -22.993 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 -3.474 -7.528 -23.793 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 -7.441 -23.515 -2.562 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 -7.241 -22.635 -2.242 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 -7.571 -24.025 -1.762 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -5.164 7.136 24.633 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -6.064 7.136 24.933 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -5.204 6.796 23.743 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 25.254 -25.149 11.401 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 24.774 -25.349 12.201 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 24.954 -24.279 11.151 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 9.455 -17.071 -6.807 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 8.745 -16.881 -7.417 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 9.805 -17.911 -7.107 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 12.873 -10.838 17.127 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 12.843 -11.398 16.347 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 13.733 -11.008 17.507 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 -21.706 20.974 15.938 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 -21.996 21.314 16.788 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 -20.756 21.074 15.958 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -1.226 19.896 2.961 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -0.376 19.456 2.961 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -1.696 19.506 3.691 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 1.965 7.625 -21.839 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 1.755 6.885 -21.269 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 1.785 7.305 -22.729 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 1.921 19.105 18.331 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 1.591 18.245 18.051 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 2.681 18.905 18.871 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -14.514 8.317 -8.465 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -15.384 8.717 -8.535 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -14.044 8.627 -9.235 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 -11.805 4.534 0.914 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 -11.725 4.964 1.774 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 -12.675 4.794 0.604 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 11.343 18.487 24.555 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.593 17.557 24.475 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.873 18.927 23.895 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 -19.470 -8.154 10.173 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 -18.600 -8.524 10.063 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -19.980 -8.534 9.453 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -12.365 4.286 -14.847 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.895 5.086 -15.087 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -12.815 4.026 -15.657 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -20.467 10.304 -12.813 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -19.827 10.484 -13.503 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -20.417 9.364 -12.663 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -20.365 7.560 15.462 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -21.235 7.180 15.612 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -20.005 7.050 14.732 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 6.697 -4.812 0.433 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 7.237 -4.582 -0.317 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 6.977 -5.702 0.663 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 -1.835 24.323 3.919 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 -1.065 24.503 4.469 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 -1.735 24.923 3.179 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 19.156 -17.058 2.865 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 19.956 -17.158 2.355 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 19.376 -17.368 3.735 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -6.439 12.725 -24.037 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -6.439 13.655 -23.827 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -7.339 12.445 -23.877 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 19.284 -20.994 17.023 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 19.924 -21.314 16.383 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 18.594 -21.654 17.013 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 23.894 -9.614 9.869 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 24.474 -9.634 10.629 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 24.384 -10.084 9.189 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 2.020 2.245 -18.249 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 1.390 2.705 -17.699 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 1.970 1.335 -17.959 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 2.776 21.005 -5.951 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 2.796 20.855 -5.011 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 1.886 21.285 -6.131 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -25.005 -4.789 -21.061 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -25.085 -3.859 -20.891 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -24.335 -4.859 -21.741 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 7.164 10.217 6.177 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 7.054 10.777 5.407 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 6.334 9.757 6.277 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 19.234 1.722 20.973 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 19.994 1.152 20.833 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 18.804 1.772 20.123 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 7.055 -12.514 13.315 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 6.145 -12.764 13.175 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 7.465 -13.294 13.695 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -16.354 -11.674 -24.357 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -16.234 -11.084 -23.607 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -17.254 -11.974 -24.277 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 1.594 6.153 -15.351 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 2.294 6.233 -14.701 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 2.054 6.083 -16.181 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 -1.574 23.394 -23.527 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 -1.934 24.084 -22.957 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 -1.844 22.584 -23.107 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.857 7.733 11.193 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 10.477 8.343 10.793 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.417 8.243 11.873 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 7.594 -21.485 -7.441 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 8.114 -21.445 -6.631 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 7.914 -22.275 -7.881 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 10.183 -11.033 -12.286 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 10.873 -10.503 -12.676 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 9.473 -11.033 -12.926 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 21.472 -10.995 -23.589 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 22.032 -10.355 -24.029 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 21.222 -10.555 -22.769 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 -23.595 -8.664 24.561 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 -22.715 -8.294 24.661 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 -24.175 -8.024 24.981 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 -24.034 -20.166 5.033 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 -23.494 -20.946 4.913 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 -24.914 -20.446 4.803 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 0.504 -9.546 2.995 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -0.376 -9.806 3.275 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 1.044 -10.316 3.175 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 19.167 -1.573 -20.167 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 18.947 -1.343 -21.067 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 18.637 -2.353 -19.977 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 -13.244 23.163 11.215 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 -12.824 22.983 10.375 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 -13.974 22.533 11.255 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -21.841 23.804 4.647 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -22.001 24.614 4.157 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -21.171 23.354 4.137 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 -15.456 -22.046 10.995 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 -15.926 -21.296 10.635 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 -15.316 -21.816 11.915 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 12.656 6.263 14.029 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 11.716 6.323 13.849 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 12.846 5.323 14.009 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 -3.497 12.626 -23.965 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 -2.977 12.606 -23.165 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 -4.407 12.596 -23.665 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.729 -15.493 6.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 -1.219 -15.413 5.465 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 0.181 -15.603 6.015 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 -23.457 10.372 -24.179 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 -23.797 10.932 -24.879 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 -23.217 9.552 -24.619 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 23.812 -22.674 11.343 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 22.952 -23.014 11.083 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 23.622 -22.004 11.983 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 19.596 15.157 -6.575 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 19.326 14.607 -5.845 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 18.796 15.587 -6.875 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 24.035 12.145 23.467 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 23.225 12.305 22.997 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 23.765 11.725 24.287 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 8.912 16.561 12.695 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 9.862 16.641 12.835 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 8.582 17.451 12.835 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -19.106 -3.516 -11.543 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -18.656 -4.236 -11.093 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -19.376 -2.926 -10.833 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 22.315 12.904 4.924 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 22.915 12.894 5.674 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 22.615 12.174 4.374 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 7.125 -0.758 -22.426 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 7.875 -1.338 -22.316 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 7.315 -0.278 -23.246 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 -13.988 -18.907 7.693 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 -13.308 -19.487 8.023 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 -14.668 -19.487 7.363 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 22.823 17.684 11.107 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 23.693 17.624 11.507 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 22.853 17.084 10.357 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 18.604 -12.638 5.583 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 18.384 -11.828 6.043 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 18.874 -12.358 4.713 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 20.225 2.744 11.017 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 19.845 3.274 11.717 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 21.165 2.944 11.057 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 -7.861 -5.583 9.363 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 -8.491 -6.223 9.683 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 -7.141 -5.603 10.003 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 21.774 3.501 -10.099 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 21.944 3.591 -9.159 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 22.354 4.141 -10.509 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -2.248 3.296 5.208 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -1.408 3.706 5.388 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -2.738 3.956 4.718 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 -0.937 0.626 21.045 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 -0.367 -0.054 20.685 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 -0.837 0.546 21.995 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 15.463 -13.366 -9.311 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 16.073 -12.666 -9.581 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 16.013 -14.136 -9.231 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 -15.884 7.992 1.345 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 -16.064 8.872 1.675 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 -16.744 7.562 1.325 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -22.894 17.922 12.203 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -22.774 17.702 13.123 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -22.764 17.092 11.743 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 17.665 -4.816 18.239 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 17.135 -4.056 18.499 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 18.575 -4.546 18.429 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 10.276 -19.383 -3.325 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 10.886 -20.123 -3.385 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 10.776 -18.703 -2.885 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 8.860 -11.727 -5.827 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 8.450 -12.137 -6.587 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 8.590 -12.277 -5.087 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 -16.895 7.565 20.781 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 -17.835 7.635 20.941 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 -16.575 8.465 20.871 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 13.002 -19.923 4.913 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 13.782 -20.483 4.963 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 12.832 -19.843 3.973 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 12.832 -20.661 -4.247 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 13.102 -21.531 -3.967 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 13.252 -20.061 -3.627 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 -10.095 7.513 12.579 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 -9.265 7.123 12.869 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 -10.005 7.593 11.629 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -17.788 6.739 3.385 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -18.388 6.359 4.025 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -16.928 6.689 3.795 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 16.313 -8.366 -10.383 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 16.073 -7.446 -10.273 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 16.893 -8.546 -9.643 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 15.175 -25.145 16.834 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 14.455 -24.815 17.384 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 15.085 -24.685 16.005 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 3.249 -17.266 -14.389 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 2.639 -16.746 -13.879 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 2.839 -18.126 -14.449 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 7.220 -14.276 5.631 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 7.750 -14.346 4.841 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 7.850 -14.326 6.351 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 10.925 23.776 24.505 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 10.375 24.266 23.895 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 10.465 23.826 25.345 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 11.966 -19.890 13.339 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 11.586 -20.130 12.499 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 11.536 -19.060 13.569 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 9.004 -18.117 15.483 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 8.234 -17.597 15.683 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 9.214 -18.567 16.303 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 22.467 1.673 14.021 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 23.317 1.253 14.181 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 21.827 0.963 14.121 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -9.786 7.217 21.005 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -9.226 6.927 20.275 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -9.696 6.527 21.655 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 -14.995 -7.219 -1.237 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 -15.095 -8.079 -1.637 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 -14.495 -6.709 -1.877 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -21.306 9.672 -2.283 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -20.946 10.552 -2.213 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -20.646 9.192 -2.793 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 0.179 23.352 -10.311 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -0.231 22.612 -9.871 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -0.481 23.662 -10.931 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 14.253 0.204 -17.486 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 14.023 1.004 -17.006 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 15.193 0.274 -17.636 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 8.845 -14.575 -22.029 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 8.225 -13.905 -22.309 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 8.325 -15.175 -21.489 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 -1.824 12.923 19.824 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 -2.284 13.333 20.565 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 -2.454 12.963 19.104 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 14.255 -15.059 -13.321 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 13.755 -14.529 -13.951 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 15.155 -14.759 -13.431 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 5.584 -6.188 -22.815 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 5.614 -5.268 -23.105 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 4.674 -6.458 -22.995 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 9.084 -17.772 3.788 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 9.484 -16.982 3.428 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 8.654 -17.482 4.598 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 -4.175 2.685 22.119 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 -4.255 1.765 21.869 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 -4.095 2.655 23.079 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -24.880 -16.096 0.859 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -24.860 -16.736 0.159 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -25.550 -16.416 1.469 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -9.467 -12.108 -7.979 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -8.557 -11.878 -8.159 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -9.947 -11.788 -8.739 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -5.354 -17.885 11.673 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -4.534 -17.435 11.873 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -5.104 -18.795 11.563 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 18.624 5.133 -6.157 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 18.924 4.223 -6.107 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 18.534 5.413 -5.247 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 6.303 -3.580 9.389 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 7.073 -3.150 9.019 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 5.603 -2.940 9.289 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -11.914 -17.695 -4.446 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -12.864 -17.695 -4.516 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -11.604 -17.895 -5.336 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -20.707 24.073 16.359 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -21.177 23.473 16.929 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -21.197 24.063 15.539 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 13.087 11.534 19.369 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 12.957 10.854 18.699 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 13.257 12.334 18.869 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 10.736 17.221 20.649 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 11.696 17.201 20.599 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 10.446 17.021 19.759 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 -4.211 11.862 -11.651 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 -5.021 12.352 -11.561 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 -3.591 12.322 -11.091 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 21.837 22.863 -22.725 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 21.267 23.443 -22.225 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 22.597 22.733 -22.145 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 12.655 -13.887 -15.179 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 13.355 -14.197 -15.749 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 11.915 -14.457 -15.369 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -14.608 -15.597 -13.491 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -14.758 -16.527 -13.641 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -14.528 -15.227 -14.371 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 19.823 10.006 -2.333 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 19.123 10.326 -1.763 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 20.043 10.756 -2.893 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 23.023 -11.898 -9.969 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 22.583 -12.038 -9.129 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 23.373 -12.768 -10.199 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 -2.145 -12.316 -11.447 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 -1.715 -12.996 -10.927 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 -2.265 -11.586 -10.837 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 16.533 5.281 7.609 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 17.133 4.691 8.059 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 16.233 5.891 8.289 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 24.575 -6.182 -13.229 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 25.045 -5.412 -13.559 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 24.335 -6.672 -14.019 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 22.165 24.843 7.371 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 22.745 24.513 6.691 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 22.555 24.533 8.191 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 -8.766 20.473 15.681 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -8.396 20.583 16.561 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -9.656 20.833 15.751 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 12.962 22.285 -19.545 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 13.352 22.515 -18.705 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 13.632 21.775 -19.995 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 -19.927 20.455 -20.251 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 -20.697 20.075 -20.671 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 -19.977 20.135 -19.351 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 -22.257 -19.728 -10.587 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 -22.777 -19.088 -11.087 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 -21.417 -19.748 -11.037 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -10.725 17.645 -7.379 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -9.805 17.655 -7.649 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -11.105 16.895 -7.839 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 -3.401 -18.758 -18.683 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 -3.941 -18.608 -19.453 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 -3.631 -19.648 -18.393 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 16.777 14.233 -3.047 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 15.917 14.403 -3.437 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 16.637 14.333 -2.107 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 -12.867 -1.979 4.345 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 -12.707 -2.379 5.194 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 -12.467 -1.109 4.394 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 23.910 16.085 8.719 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 24.490 16.135 7.959 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 23.050 15.875 8.359 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 -6.571 3.687 20.731 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 -5.971 3.117 20.241 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 -6.191 3.737 21.611 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 -5.959 -13.159 -11.759 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 -6.039 -12.289 -11.369 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 -5.559 -13.699 -11.069 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -14.588 23.557 -3.123 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -14.828 24.167 -2.433 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -15.248 22.867 -3.083 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 22.821 19.606 -10.462 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 23.731 19.716 -10.732 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 22.541 18.786 -10.862 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 -20.119 18.903 19.193 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 -19.679 19.123 20.023 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 -21.049 18.873 19.423 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 -7.640 -21.543 -21.131 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 -7.720 -20.963 -21.881 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 -7.120 -22.283 -21.451 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 14.716 -24.773 -15.170 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 14.236 -24.583 -15.980 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 15.506 -24.233 -15.230 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 6.365 16.914 18.409 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 7.025 16.244 18.249 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 5.635 16.444 18.809 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -9.190 -15.066 0.061 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -10.020 -15.146 0.541 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -9.220 -14.176 -0.299 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 -15.354 -9.863 14.274 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 -15.924 -10.473 13.804 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 -15.954 -9.233 14.664 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -19.518 -14.264 -15.006 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -19.918 -15.124 -15.056 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -19.358 -14.124 -14.066 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 7.530 -8.128 18.969 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 7.320 -7.458 19.629 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 7.680 -7.628 18.169 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 16.235 -5.815 13.671 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 15.505 -5.745 14.291 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 16.635 -6.665 13.861 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -10.126 -14.567 -15.605 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -9.716 -14.737 -16.445 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -9.446 -14.137 -15.085 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -22.703 22.932 17.907 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -22.813 23.852 18.147 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -23.473 22.492 18.267 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 -8.327 -6.314 -4.407 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 -7.667 -6.314 -5.107 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 -9.137 -6.054 -4.847 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 20.604 -2.783 20.935 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 21.394 -2.263 20.785 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 20.814 -3.313 21.705 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 -24.207 22.454 22.009 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 -24.747 22.304 22.789 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 -23.337 22.164 22.269 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 -23.294 -10.692 7.787 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 -22.534 -11.042 8.257 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 -22.944 -10.382 6.957 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 -5.686 5.553 6.267 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 -5.826 5.753 5.337 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 -6.566 5.583 6.647 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 9.985 -20.455 3.297 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 9.705 -21.335 3.547 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 9.555 -19.875 3.937 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 -24.181 1.292 11.215 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 -24.271 2.242 11.335 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 -23.421 1.062 11.745 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 -20.336 -15.017 -0.523 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 -20.086 -15.927 -0.703 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 -21.086 -15.087 0.067 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 1.384 2.035 -15.013 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 1.324 2.425 -14.143 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 1.814 2.705 -15.553 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 21.634 0.325 20.657 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 22.084 -0.105 21.387 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 21.834 -0.215 19.897 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 10.375 18.204 10.445 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 9.485 17.994 10.725 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 10.435 19.154 10.535 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 22.495 -18.199 -14.137 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 22.555 -18.519 -13.237 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 22.055 -17.349 -14.057 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 -1.508 8.865 -19.786 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 -1.428 9.185 -18.886 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 -2.348 8.415 -19.816 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 -10.360 23.193 -20.659 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 -9.970 24.063 -20.719 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 -10.060 22.723 -21.429 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 15.284 -6.956 -3.885 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 15.704 -6.196 -3.475 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 15.284 -7.636 -3.215 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 -21.173 -6.816 -9.292 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 -20.853 -6.356 -8.512 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 -21.993 -6.376 -9.502 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 13.390 10.357 -25.283 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 12.510 10.267 -24.933 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 13.650 9.467 -25.513 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 5.125 1.482 -1.142 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 4.325 1.982 -1.002 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 4.855 0.562 -1.022 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -4.409 -12.295 12.158 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -5.039 -11.865 11.578 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -3.669 -12.495 11.588 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 -2.389 5.704 21.279 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 -2.879 6.474 21.569 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 -2.909 4.964 21.559 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -3.976 18.862 -17.005 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -3.586 18.022 -17.235 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -4.576 18.662 -16.295 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -12.478 8.546 -6.562 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -11.578 8.846 -6.652 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -12.678 8.126 -7.402 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 6.885 -12.968 -17.068 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 6.275 -13.398 -17.668 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 7.735 -13.018 -17.518 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -3.035 -21.015 -23.451 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -2.265 -21.145 -22.891 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -2.675 -20.925 -24.331 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 4.406 3.812 -5.337 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 3.606 3.382 -5.067 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 5.036 3.102 -5.477 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 -14.523 13.023 25.119 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 -14.053 12.333 24.649 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 -13.833 13.583 25.469 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 5.707 21.576 13.814 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 6.567 21.276 13.514 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 5.267 21.886 13.014 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 -17.536 15.392 -1.245 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 -16.746 14.972 -1.595 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 -18.206 14.712 -1.315 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 -1.174 -3.526 20.771 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 -0.694 -4.246 20.361 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 -1.554 -3.916 21.561 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -22.363 -16.816 21.439 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -21.993 -17.406 20.779 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -21.893 -15.986 21.319 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 -6.146 -14.245 -16.999 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 -5.936 -13.485 -16.469 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 -6.586 -13.885 -17.769 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 -10.674 -1.458 19.165 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 -9.724 -1.418 19.265 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 -10.944 -0.558 18.995 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 8.607 -17.263 -11.301 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 9.287 -16.673 -11.601 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 7.927 -16.693 -10.951 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 -15.221 -1.244 20.901 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 -15.051 -1.974 21.491 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 -15.401 -1.654 20.051 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 -17.641 1.185 4.033 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 -16.771 1.555 3.903 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 -17.941 0.945 3.153 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 22.637 4.759 -13.467 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 22.547 3.989 -14.017 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 21.737 4.969 -13.197 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -4.363 -5.883 1.031 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -4.673 -6.693 0.621 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -3.453 -6.073 1.271 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 0.565 -0.058 6.748 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -0.205 0.472 6.508 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 0.255 -0.618 7.458 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -16.514 4.994 -16.377 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -16.484 5.404 -17.247 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -15.634 5.134 -16.027 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 24.726 -7.536 -3.503 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 23.886 -7.466 -3.953 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 24.516 -7.336 -2.583 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 17.634 21.036 0.377 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 17.734 21.396 -0.503 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 17.394 20.126 0.247 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 2.252 22.963 23.101 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 1.862 23.273 22.281 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 3.192 23.053 22.971 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 5.514 -21.659 6.563 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 5.784 -20.759 6.383 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 4.754 -21.559 7.143 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -9.669 15.015 -19.581 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -9.059 15.305 -18.911 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -10.069 14.225 -19.211 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 3.473 13.840 18.521 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 2.573 13.580 18.311 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 3.623 14.610 17.981 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -11.084 22.884 13.295 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -10.134 22.994 13.255 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -11.364 22.934 12.385 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 4.647 0.255 -4.815 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 5.067 0.085 -3.975 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 5.337 0.645 -5.355 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 -1.169 12.576 -17.165 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 -0.819 13.156 -16.495 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 -0.829 11.706 -16.935 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 22.654 20.193 23.711 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 23.284 19.603 23.281 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 21.834 19.703 23.701 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 -8.214 -5.884 22.121 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 -8.084 -5.374 21.331 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 -7.494 -5.614 22.701 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 -13.733 -17.906 0.915 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 -12.983 -18.186 1.445 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 -13.613 -18.376 0.085 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -1.091 0.315 -14.217 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -1.501 1.075 -13.807 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -0.271 0.655 -14.567 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 -7.317 -4.297 2.099 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 -8.127 -4.707 1.799 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 -6.737 -4.317 1.339 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -0.564 -22.629 -3.677 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -0.914 -21.759 -3.517 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 0.146 -22.719 -3.047 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 11.826 -16.658 17.488 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 12.326 -17.478 17.508 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 11.016 -16.858 17.958 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 -4.347 -16.224 -21.652 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 -5.207 -16.274 -21.242 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 -3.997 -17.124 -21.582 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 7.754 -22.716 -15.943 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 8.464 -23.306 -15.693 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 7.854 -22.616 -16.893 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 16.224 20.513 -15.827 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 16.794 21.263 -15.997 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 16.814 19.833 -15.487 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 -6.713 -15.867 24.874 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 -7.073 -14.987 24.894 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 -7.163 -16.327 25.574 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 13.332 13.898 -10.616 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 13.792 13.058 -10.706 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 13.942 14.458 -10.146 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -17.324 0.866 -13.023 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -16.574 1.096 -12.473 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -16.934 0.396 -13.763 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 15.682 -11.514 17.754 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 16.172 -10.904 17.194 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 15.582 -12.304 17.224 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 24.665 -14.096 24.779 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 24.375 -14.226 23.869 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 25.615 -14.016 24.719 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 -18.449 25.301 -15.167 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 -17.629 25.021 -15.557 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 -18.299 25.251 -14.227 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 23.740 2.476 -0.993 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 23.090 3.086 -0.673 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 24.580 2.866 -0.763 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 -1.486 -20.594 1.781 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 -1.616 -20.524 2.721 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 -2.186 -20.074 1.391 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 10.365 5.064 -7.577 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 11.175 4.864 -8.047 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 9.925 5.714 -8.127 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 -4.794 -2.777 -2.892 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 -5.504 -2.767 -2.242 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 -5.234 -2.797 -3.742 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 14.766 -2.108 -10.769 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 15.206 -2.068 -9.909 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 14.406 -1.228 -10.889 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -1.665 9.304 -10.655 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -2.055 10.114 -10.345 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -1.385 8.844 -9.865 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 19.115 -10.697 -0.715 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 19.105 -9.737 -0.715 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 18.635 -10.947 0.065 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 6.506 11.033 3.689 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 5.826 10.523 3.259 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 7.226 11.043 3.059 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 24.105 -17.436 2.525 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 24.955 -17.826 2.705 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 24.045 -16.696 3.135 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 14.285 14.924 -13.817 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 13.935 14.174 -14.297 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 14.515 15.554 -14.497 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 14.349 2.876 22.483 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 13.929 3.726 22.353 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 13.629 2.286 22.703 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -6.065 10.162 23.320 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -6.335 10.842 22.700 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -5.925 9.382 22.770 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 1.815 -10.366 24.704 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 2.195 -11.066 25.224 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 2.485 -10.176 24.044 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 8.033 -6.043 8.286 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 8.583 -6.023 9.066 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 7.393 -5.343 8.416 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -10.523 16.055 -10.231 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -10.453 15.115 -10.431 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -9.913 16.195 -9.511 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 -1.246 21.907 -21.322 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 -1.146 22.787 -20.962 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 -0.646 21.367 -20.812 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 21.634 -11.474 11.599 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 22.294 -11.554 10.909 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 21.534 -12.354 11.949 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 3.153 8.744 -3.677 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 3.983 9.084 -3.997 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 3.253 7.794 -3.707 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 4.594 -7.369 -5.311 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 5.144 -7.859 -5.921 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 4.084 -8.029 -4.851 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 -5.395 17.646 -19.327 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 -4.995 18.456 -19.007 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 -5.755 17.876 -20.177 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 20.877 6.881 -15.701 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 21.057 6.921 -16.641 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 20.437 6.041 -15.571 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -24.578 21.084 -6.669 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -24.088 20.374 -7.099 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -24.218 21.884 -7.049 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -13.223 -6.878 -18.139 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -12.793 -6.028 -18.229 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -13.323 -6.998 -17.199 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 17.811 -24.144 -24.939 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 18.741 -24.164 -25.169 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 17.371 -24.534 -25.689 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.606 13.503 -17.633 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -2.696 13.203 -17.643 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -4.126 12.703 -17.613 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 6.073 14.382 21.401 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 6.493 14.712 22.191 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 6.793 14.082 20.851 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 -21.115 -3.507 -9.379 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 -21.525 -2.827 -8.839 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 -21.785 -3.747 -10.009 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 6.922 4.182 15.559 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 6.752 5.122 15.559 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 6.072 3.782 15.359 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 -0.264 9.324 10.153 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 0.476 9.774 9.753 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 -0.494 9.874 10.913 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 22.000 -5.380 -15.743 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 22.220 -5.670 -16.633 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 22.580 -4.640 -15.583 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 6.626 5.232 2.738 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 7.376 5.782 2.948 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 6.786 4.412 3.218 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 16.812 15.826 2.693 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 17.382 15.806 1.923 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 17.122 15.106 3.243 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 -18.581 21.647 -22.659 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 -19.181 21.407 -21.949 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 -17.711 21.607 -22.269 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 11.696 -14.257 0.548 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 11.326 -13.387 0.688 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 12.396 -14.337 1.198 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 -17.687 24.025 4.475 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 -18.497 24.035 4.975 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 -17.057 23.575 5.045 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 20.794 -3.763 23.469 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 20.724 -3.793 24.419 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 21.724 -3.873 23.289 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 -7.003 24.002 14.061 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 -6.133 24.342 14.261 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 -7.593 24.472 14.651 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 2.944 -22.255 -16.221 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 3.444 -22.265 -17.031 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 3.584 -22.095 -15.531 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 -1.356 11.144 12.544 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 -0.706 11.684 12.994 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 -2.186 11.364 12.985 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 3.265 -16.133 -6.595 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 3.805 -15.583 -7.175 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 3.865 -16.813 -6.295 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 12.474 -12.744 -21.182 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 11.934 -12.134 -20.682 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 13.144 -13.034 -20.562 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 10.293 3.107 20.663 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 10.613 2.277 21.033 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 11.073 3.517 20.293 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 0.417 -1.696 11.133 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 0.347 -0.866 10.663 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -0.093 -1.556 11.933 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -6.791 21.157 13.895 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -6.661 21.167 14.845 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -6.721 22.077 13.635 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -14.327 14.415 21.434 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -15.237 14.385 21.744 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -14.387 14.225 20.494 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 12.774 21.455 24.461 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 12.414 22.285 24.771 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 12.254 21.245 23.691 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 -20.108 -18.349 -8.035 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 -21.008 -18.669 -8.135 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 -20.178 -17.689 -7.335 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 8.584 20.067 16.203 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 8.014 20.817 16.363 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 8.534 19.547 17.003 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -24.666 -11.596 0.008 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -23.746 -11.466 -0.222 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -24.686 -11.536 0.968 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -9.674 19.557 -3.507 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -10.074 19.897 -2.707 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -9.074 20.247 -3.787 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 21.535 -13.453 -18.623 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 22.165 -13.103 -19.263 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 20.815 -13.793 -19.163 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 17.404 18.214 17.579 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 17.634 18.444 18.479 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 16.464 18.074 17.599 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 20.104 3.228 0.637 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 19.874 4.158 0.597 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 19.354 2.818 1.077 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 11.567 10.458 22.527 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 11.507 10.768 23.437 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 11.707 9.518 22.607 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -7.330 17.864 3.467 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -8.140 18.034 3.937 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -7.250 16.914 3.437 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 -24.175 -5.788 -9.447 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 -24.275 -5.738 -8.497 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 -24.405 -6.688 -9.667 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -2.710 14.214 -20.495 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -3.630 14.154 -20.775 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -2.760 14.324 -19.545 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -16.218 13.963 19.153 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -15.928 13.083 19.403 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -16.788 14.243 19.863 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -1.794 17.203 -2.939 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -0.964 16.953 -3.359 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -2.174 16.373 -2.649 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 -12.007 -17.984 -7.353 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 -12.577 -17.234 -7.223 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 -11.187 -17.614 -7.693 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 8.755 -14.506 16.121 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 9.605 -14.806 16.461 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 8.405 -13.956 16.821 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 -8.537 6.745 -9.416 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 -8.697 6.365 -10.276 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 -7.917 7.465 -9.586 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 14.555 5.316 3.631 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 14.625 4.636 2.971 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 14.635 6.136 3.141 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 -8.794 5.586 -15.071 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 -8.024 5.026 -15.141 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 -9.044 5.766 -15.981 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -22.397 -18.365 -15.303 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -23.267 -18.235 -15.663 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -22.247 -19.305 -15.353 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 18.761 -10.086 -11.281 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 19.091 -10.976 -11.411 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 19.211 -9.566 -11.941 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 -8.754 -23.719 13.003 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 -9.584 -23.759 12.523 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 -9.014 -23.689 13.923 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 21.713 20.367 11.832 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 21.903 19.437 11.692 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 22.453 20.687 12.342 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -22.595 -21.605 23.783 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -23.395 -21.355 24.243 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -21.965 -20.935 24.043 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 -12.654 -21.307 -17.653 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 -12.574 -22.267 -17.643 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 -12.934 -21.077 -16.773 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 -24.634 0.922 -14.495 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 -24.394 1.832 -14.625 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 -25.424 0.952 -13.945 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 23.130 -7.416 -11.036 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 22.400 -7.286 -11.646 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 23.660 -6.626 -11.126 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 0.850 -6.717 14.674 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -0.000 -6.377 14.964 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 1.490 -6.107 15.044 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 15.355 -23.119 14.997 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 16.125 -23.059 14.437 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 15.485 -22.439 15.657 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 12.743 19.705 2.105 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 13.293 20.385 2.515 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 13.063 18.885 2.485 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 5.534 -24.447 -15.556 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 5.724 -23.617 -15.996 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 5.954 -24.357 -14.706 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 -21.263 -8.738 8.008 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 -22.033 -8.208 7.778 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 -21.193 -9.378 7.298 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 20.256 -12.367 -12.171 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 21.176 -12.447 -12.401 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 20.156 -12.907 -11.381 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 17.303 -17.666 -9.909 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 18.113 -18.036 -10.239 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 16.743 -18.416 -9.739 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -8.573 -6.855 -8.797 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -8.773 -6.595 -9.697 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -9.383 -7.235 -8.457 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 9.443 2.726 -9.828 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 10.223 3.116 -9.428 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 9.703 1.826 -10.018 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -15.145 -1.249 -12.749 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -14.205 -1.219 -12.619 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -15.345 -0.459 -13.249 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 3.273 -5.295 17.535 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.393 -5.635 16.655 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.043 -4.745 17.685 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 -7.433 -15.813 22.163 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 -7.363 -15.183 22.883 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 -6.983 -16.593 22.483 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 -12.074 -10.467 -13.169 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 -12.324 -11.367 -13.349 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 -12.654 -9.937 -13.729 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.554 16.213 2.704 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 10.934 15.543 2.985 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.014 16.973 2.484 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 -14.684 19.284 -14.219 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 -14.394 19.404 -13.319 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 -14.494 18.364 -14.409 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 4.847 -14.964 -8.849 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 5.327 -15.414 -9.539 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 4.947 -14.034 -9.039 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -17.699 9.707 -12.735 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -17.649 8.747 -12.665 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -18.369 9.957 -12.095 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 -15.837 4.545 -9.846 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 -15.797 4.415 -8.906 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 -16.767 4.735 -10.016 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 -9.216 -17.698 1.041 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 -9.816 -18.228 0.511 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 -9.446 -16.788 0.821 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 12.122 -20.107 1.394 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 11.992 -19.187 1.194 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 11.392 -20.327 1.974 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 7.677 8.145 -1.515 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 8.237 8.375 -0.785 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 6.787 8.195 -1.165 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 0.423 -1.594 -12.492 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 1.293 -1.244 -12.342 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 0.013 -0.984 -13.102 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 23.433 -18.435 -3.589 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 24.273 -18.025 -3.739 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 23.513 -18.835 -2.719 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 -21.815 4.123 10.943 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 -21.095 4.603 11.363 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 -21.425 3.293 10.673 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 24.543 -13.996 8.773 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 24.933 -14.706 8.263 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 24.483 -13.266 8.163 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 7.071 -7.335 13.815 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 7.361 -6.525 13.385 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 6.471 -7.725 13.185 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 10.155 13.282 15.804 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 10.115 14.202 16.044 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 10.955 13.202 15.274 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 0.812 12.158 19.845 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 0.342 11.968 20.655 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 0.122 12.268 19.185 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 1.477 1.953 22.509 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 0.727 2.493 22.749 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 1.307 1.713 21.599 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 10.849 19.233 -8.661 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 10.209 18.603 -9.021 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 10.379 20.063 -8.651 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 -1.036 -3.143 -10.767 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 -1.866 -2.983 -11.217 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 -0.366 -2.903 -11.417 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 19.687 -10.581 24.022 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 19.857 -10.391 24.942 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 19.317 -11.461 24.022 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 -22.675 -25.017 -16.511 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 -22.545 -24.467 -15.731 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 -23.325 -24.547 -17.031 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 -0.159 22.683 19.675 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 -0.719 23.213 20.245 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 0.051 21.913 20.205 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 -6.894 -16.715 -10.157 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 -7.714 -16.955 -10.597 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 -6.794 -17.375 -9.467 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 -14.646 11.564 19.262 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 -14.366 10.664 19.442 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 -13.946 11.924 18.712 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 -2.875 -12.067 -1.871 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 -3.075 -12.977 -2.081 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 -2.995 -11.597 -2.691 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 13.770 -8.758 -15.699 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 13.350 -7.918 -15.869 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 13.100 -9.418 -15.909 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 14.146 7.493 1.889 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 14.176 7.543 0.939 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.906 7.993 2.189 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.497 19.662 -23.809 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 13.507 18.892 -24.379 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 12.877 20.262 -24.219 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 17.562 -17.316 0.339 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 18.122 -17.176 1.109 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 18.072 -16.976 -0.391 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 16.432 13.684 9.108 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 16.062 14.554 8.968 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 15.692 13.084 8.978 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 11.094 18.004 -14.505 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 10.584 18.034 -13.685 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 12.004 17.954 -14.215 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 -8.293 -21.760 21.901 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 -7.983 -22.260 22.661 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 -9.213 -21.570 22.101 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -2.991 -6.478 4.809 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -3.161 -6.338 3.869 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -3.151 -7.408 4.939 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 -8.507 -2.424 7.009 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 -7.637 -2.514 6.619 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 -9.067 -2.974 6.459 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 24.410 -15.166 -19.996 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 24.900 -15.006 -19.196 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 24.300 -14.306 -20.386 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 -21.273 -18.323 24.439 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 -20.533 -18.943 24.379 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 -21.603 -18.263 23.539 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 10.082 -6.617 13.835 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 10.802 -7.237 13.955 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 10.412 -5.977 13.215 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -19.254 -24.355 -2.629 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -19.574 -23.475 -2.439 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -18.344 -24.225 -2.909 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 19.764 22.404 -24.749 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 18.964 21.964 -24.459 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 20.364 22.334 -24.009 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 -10.574 9.667 0.101 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 -11.184 10.397 0.061 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 -10.854 9.067 -0.589 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 15.754 21.322 20.844 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 14.864 21.602 21.054 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 16.064 21.952 20.184 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -11.376 -14.074 -23.793 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -10.636 -13.544 -24.083 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -12.136 -13.524 -23.953 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.773 6.129 -4.106 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 3.093 5.709 -3.575 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 4.243 5.399 -4.506 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -19.039 12.152 10.410 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -18.469 11.552 9.930 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -18.919 12.992 9.970 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 16.101 20.325 -25.129 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 15.241 20.535 -24.769 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 16.111 19.365 -25.189 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 4.382 -1.645 23.879 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 3.612 -2.185 23.719 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 4.322 -0.945 23.219 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -10.838 8.704 -23.310 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -11.508 8.434 -23.940 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -10.278 7.934 -23.210 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -11.028 7.026 9.043 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -10.268 6.506 8.783 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -11.778 6.486 8.803 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 -14.325 14.945 -5.321 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 -14.225 14.065 -5.661 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 -15.195 15.215 -5.621 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 10.232 -22.556 19.401 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 10.682 -21.746 19.181 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 9.542 -22.286 20.011 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 -11.349 23.315 -17.887 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 -11.459 23.025 -18.797 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 -10.829 24.115 -17.957 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 -23.567 23.795 -0.722 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 -22.847 24.125 -1.262 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 -23.177 23.055 -0.252 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 18.814 -24.277 -8.413 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 17.994 -23.787 -8.373 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 19.064 -24.247 -9.333 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 -23.497 -22.130 20.871 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 -23.507 -21.860 21.791 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 -24.287 -21.740 20.501 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 9.364 4.366 11.064 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 9.114 5.296 11.014 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 10.074 4.276 10.434 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 -4.585 -18.080 -10.849 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 -5.185 -17.480 -11.299 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 -4.055 -18.460 -11.549 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 9.224 -7.368 10.707 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 8.394 -7.668 10.337 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 9.204 -7.688 11.607 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 8.992 -6.856 21.861 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 9.322 -7.176 21.021 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 9.782 -6.586 22.331 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 1.683 -19.788 -15.753 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 1.313 -19.958 -14.883 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 2.153 -20.598 -15.963 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 16.949 4.605 -22.573 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 17.579 4.815 -23.263 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 17.249 5.105 -21.813 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 -16.351 21.681 -12.485 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 -17.131 22.231 -12.535 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 -16.071 21.581 -13.395 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 13.214 -22.797 17.139 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 12.684 -23.437 17.609 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 12.614 -22.087 16.919 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 5.323 -18.796 17.691 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 4.413 -19.086 17.711 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 5.353 -18.136 16.991 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 23.065 -20.148 16.003 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 22.955 -19.328 15.523 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 23.995 -20.178 16.243 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 11.695 -6.819 22.949 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 11.375 -7.579 23.429 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 12.495 -7.129 22.519 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -2.788 -8.616 13.038 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -3.098 -7.716 13.048 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -3.268 -9.056 13.738 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 12.175 7.223 -13.803 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 12.465 6.783 -13.003 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 11.225 7.323 -13.703 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -3.366 -13.913 -18.209 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -4.066 -14.413 -17.789 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -2.906 -14.563 -18.749 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -2.989 5.706 3.412 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -2.169 6.186 3.402 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.339 5.796 2.522 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 22.804 22.757 -13.859 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 23.304 22.307 -13.179 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 22.694 22.107 -14.549 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 7.874 -21.119 17.961 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 8.664 -20.589 18.061 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 7.684 -21.079 17.021 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 -22.425 -11.534 -7.769 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 -22.735 -12.304 -8.249 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 -21.505 -11.714 -7.579 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 13.133 -8.349 -20.689 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 13.273 -9.289 -20.559 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 12.193 -8.249 -20.809 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 2.347 18.274 -20.493 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 2.767 17.564 -20.973 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 1.737 17.844 -19.903 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 -19.157 23.745 -0.089 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 -19.267 22.805 -0.219 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 -19.477 24.135 -0.899 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 2.584 24.925 3.825 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 1.644 24.845 3.945 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 2.834 25.705 4.325 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 13.036 -6.526 19.483 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 13.206 -7.466 19.533 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 13.896 -6.126 19.443 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 7.086 -24.019 -18.689 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 7.606 -23.809 -19.459 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 6.396 -24.599 -19.009 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 2.335 -7.984 1.355 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 3.255 -7.884 1.625 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 1.905 -8.364 2.125 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 1.370 15.714 14.583 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 0.610 15.174 14.403 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 1.180 16.134 15.413 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 8.646 -9.867 -20.029 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 7.966 -10.057 -20.669 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 8.696 -10.657 -19.479 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -10.971 17.363 23.044 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -10.271 16.723 22.904 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -11.671 16.853 23.444 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 -9.133 -1.008 22.745 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 -9.253 -0.088 23.005 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 -9.923 -1.448 23.075 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 -15.825 -15.191 -1.631 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 -16.185 -15.611 -2.411 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 -14.915 -15.481 -1.611 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 7.146 8.030 -25.317 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 6.986 7.680 -24.437 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 6.896 7.320 -25.907 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 -5.235 -3.884 -8.929 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 -4.295 -3.694 -8.859 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 -5.665 -3.094 -8.629 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 18.623 7.904 -3.683 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 18.853 6.974 -3.713 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 19.423 8.344 -3.393 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 11.606 22.715 -5.699 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 12.376 23.285 -5.729 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 11.956 21.835 -5.639 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 16.299 -22.348 -15.466 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 15.989 -21.698 -16.096 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 16.439 -21.858 -14.656 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 1.062 -17.090 -8.526 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 1.662 -16.750 -7.866 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 0.402 -16.410 -8.626 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 -16.525 -5.715 13.327 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 -16.265 -5.795 12.407 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 -16.735 -6.605 13.597 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 5.413 -1.085 9.079 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 5.053 -0.285 8.699 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 5.113 -1.085 9.979 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -23.575 22.362 6.815 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -23.855 21.492 6.515 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.015 22.682 6.105 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -24.419 16.141 -19.916 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -23.479 15.961 -19.966 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -24.729 15.611 -19.176 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 15.964 -11.437 -17.929 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 16.604 -11.677 -18.599 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 15.124 -11.447 -18.379 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 24.482 8.654 -1.699 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 24.332 9.244 -2.439 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 24.852 9.224 -1.009 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -9.058 -22.944 6.799 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -9.808 -23.404 6.429 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -8.658 -23.584 7.389 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 -8.538 -11.105 -10.439 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 -9.158 -10.415 -10.679 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 -8.908 -11.905 -10.809 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 24.294 -8.486 -22.616 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 24.404 -8.846 -21.736 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 23.804 -7.676 -22.486 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 -12.898 -12.657 9.603 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 -12.038 -12.547 9.193 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 -13.518 -12.707 8.873 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -18.437 1.926 6.449 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -18.167 1.766 5.549 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -17.917 2.676 6.729 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 -4.400 5.951 1.134 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 -4.220 6.241 0.234 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 -5.290 5.591 1.094 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 10.103 -12.388 13.724 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 10.183 -12.218 12.784 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 9.503 -11.708 14.044 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 -1.505 -15.035 -4.166 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 -2.185 -14.375 -4.066 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 -0.725 -14.545 -4.405 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -6.709 9.776 -20.556 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -7.179 8.956 -20.726 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -7.139 10.416 -21.116 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 12.736 0.332 19.504 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 12.616 -0.348 18.834 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 13.256 -0.098 20.184 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 -23.667 7.691 6.867 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 -23.977 8.031 6.027 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 -24.247 6.951 7.057 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 -9.635 -25.288 -9.929 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 -8.925 -25.008 -10.509 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 -9.705 -24.588 -9.279 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -2.576 -9.485 -3.627 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -2.626 -9.145 -2.737 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -3.096 -8.875 -4.147 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 6.015 21.691 16.469 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 6.185 22.621 16.619 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 5.805 21.631 15.539 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 0.483 19.026 -1.693 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 0.093 18.376 -1.103 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 0.193 19.866 -1.343 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 24.135 -4.134 -9.531 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 24.745 -4.834 -9.751 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 23.705 -4.424 -8.731 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 11.969 24.394 -15.055 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 11.569 23.534 -14.925 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 11.309 24.904 -15.535 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 -9.627 -2.857 9.975 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 -8.947 -2.757 9.315 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 -9.587 -2.047 10.485 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 23.503 -23.414 7.813 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 23.073 -24.264 7.763 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 22.933 -22.824 7.313 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 18.802 -19.315 -15.980 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 19.572 -18.755 -15.950 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 19.162 -20.195 -16.120 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 10.304 14.174 6.397 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 10.354 13.404 6.947 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 11.134 14.624 6.537 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -11.396 -9.775 -19.441 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -11.616 -9.515 -20.331 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -12.136 -10.325 -19.171 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -8.273 -17.525 5.468 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -9.213 -17.725 5.498 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -8.013 -17.715 4.568 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 17.463 4.687 4.681 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 17.653 3.847 5.101 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 17.563 5.327 5.381 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 -4.077 16.484 8.999 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 -3.807 17.084 8.299 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 -4.777 16.954 9.449 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 14.932 1.005 4.177 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 14.582 0.235 4.627 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 14.712 1.735 4.757 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 6.305 20.594 -19.687 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 6.435 21.194 -20.427 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 6.965 19.924 -19.807 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -7.938 13.174 19.539 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -7.378 12.404 19.429 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -8.688 12.864 20.039 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 17.625 18.485 8.860 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 18.115 19.175 9.300 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 17.595 18.755 7.940 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 21.180 -4.374 -19.663 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 21.200 -3.424 -19.773 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 22.100 -4.624 -19.613 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 7.253 17.326 -25.143 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 7.493 16.396 -25.213 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 6.333 17.316 -24.903 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 -12.447 11.556 14.175 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 -12.837 12.396 13.935 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 -12.297 11.616 15.115 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.433 1.685 -9.483 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.303 1.415 -10.393 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.863 2.535 -9.543 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 17.853 6.537 15.299 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 18.503 5.837 15.379 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 17.063 6.097 14.989 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -21.105 -15.147 23.413 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -20.215 -14.817 23.573 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -20.975 -15.987 22.973 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -6.935 -14.684 2.531 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -7.815 -14.974 2.771 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -7.085 -13.904 1.991 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 -14.045 -11.036 -20.863 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 -14.245 -10.436 -20.143 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 -13.905 -11.876 -20.443 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 8.265 -18.127 9.317 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 9.015 -17.677 8.927 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 8.575 -19.017 9.487 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 -5.138 2.795 0.567 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 -4.338 3.305 0.737 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 -5.848 3.445 0.607 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 21.424 -7.035 24.223 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 20.704 -6.415 24.093 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 21.034 -7.895 24.043 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 1.434 16.757 -14.737 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 2.194 16.257 -14.457 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 1.754 17.307 -15.457 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -13.215 -15.448 -17.443 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -13.865 -15.408 -16.743 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -13.375 -14.658 -17.963 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 9.914 -13.257 -8.167 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 10.304 -13.697 -7.407 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 10.574 -12.597 -8.417 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 20.315 -15.406 22.365 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 20.725 -16.036 22.965 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 19.425 -15.736 22.235 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 -3.835 15.510 12.955 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 -3.245 16.230 13.195 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 -4.085 15.690 12.054 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 -24.767 12.297 4.373 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 -25.477 12.927 4.353 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 -24.677 12.057 5.293 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 8.333 19.494 13.571 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 8.313 19.534 14.531 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 9.093 20.024 13.321 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -5.589 18.784 -23.137 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -5.559 17.834 -23.237 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -6.509 19.014 -23.307 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 -13.538 -12.165 -0.023 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 -14.368 -12.375 0.417 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 -13.548 -11.215 -0.123 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 11.883 6.982 -17.089 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 12.513 7.472 -16.559 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 11.413 7.662 -17.579 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 6.624 -16.599 2.085 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 6.624 -16.929 2.985 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 6.724 -17.379 1.545 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 11.944 20.397 21.371 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 11.114 19.917 21.341 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 11.684 21.317 21.311 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -7.375 -21.680 -13.663 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -7.975 -22.240 -13.163 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -6.525 -21.790 -13.233 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 12.315 7.131 -6.055 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 13.075 6.601 -5.815 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 11.675 6.501 -6.385 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 6.826 1.916 -8.651 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 7.546 2.456 -8.991 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 6.596 1.346 -9.391 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -7.726 -13.461 7.469 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -6.876 -13.221 7.089 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -7.836 -12.871 8.209 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 16.793 17.625 -2.715 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 17.243 17.715 -3.545 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 17.043 18.405 -2.215 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -7.596 0.097 -12.647 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -8.246 0.177 -13.347 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -6.916 -0.453 -13.007 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -17.221 9.315 9.831 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -16.391 9.375 10.301 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -17.091 8.595 9.221 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 16.466 -6.689 16.411 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 15.516 -6.599 16.571 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 16.816 -5.829 16.631 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 6.150 20.027 3.803 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 6.210 20.557 4.603 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 5.940 19.147 4.113 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -24.799 -11.648 -14.712 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -24.529 -12.198 -15.452 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -24.049 -11.058 -14.562 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -11.961 -10.020 12.827 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -12.681 -10.090 13.457 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -11.551 -9.180 13.027 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 13.805 -23.828 2.027 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 13.525 -23.518 2.887 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 14.535 -23.258 1.797 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -15.367 1.885 -10.285 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -14.747 1.795 -11.015 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -15.537 2.825 -10.225 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.415 21.795 15.558 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.075 21.745 16.458 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 22.075 21.015 15.128 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 -11.728 -10.805 20.365 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 -12.368 -11.215 19.785 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 -11.238 -10.205 19.795 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 12.725 -19.581 -1.242 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 13.125 -18.781 -0.902 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 12.505 -20.091 -0.462 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.132 -1.817 -3.051 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.768 -1.607 -3.281 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.662 -1.247 -3.611 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 -7.056 23.397 9.423 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 -7.606 22.607 9.463 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 -6.196 23.067 9.173 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 -10.163 -3.439 -7.657 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 -9.663 -2.859 -7.077 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 -10.993 -2.969 -7.807 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -16.093 -0.847 -21.756 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -16.123 -1.147 -20.856 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -15.503 -0.097 -21.746 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -2.295 4.998 23.953 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -2.005 4.188 24.373 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -1.945 5.698 24.503 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 22.084 -20.926 12.742 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 21.774 -20.056 12.972 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 21.904 -21.456 13.532 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -5.154 -23.997 3.817 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -5.944 -24.217 3.327 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -5.344 -23.157 4.217 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 16.591 -22.555 2.539 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 17.451 -22.965 2.639 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 16.591 -22.205 1.649 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.321 -6.865 -15.982 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.331 -7.695 -16.452 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -21.711 -7.065 -15.132 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 -8.193 18.292 -23.906 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 -8.333 17.812 -24.716 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 -8.543 17.732 -23.226 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.244 -20.857 -19.707 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 16.954 -20.557 -20.567 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 17.494 -21.777 -19.837 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 7.646 11.573 9.077 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 7.736 11.393 10.007 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 6.696 11.623 8.937 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -5.686 -15.235 0.001 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -5.146 -14.665 0.551 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -6.586 -14.965 0.181 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -21.654 2.897 17.404 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -22.534 3.287 17.404 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.094 3.577 17.034 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 9.574 2.063 2.821 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 10.424 2.063 3.251 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 9.754 1.793 1.921 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 -20.894 -24.846 24.809 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 -21.484 -25.386 24.289 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 -21.464 -24.456 25.479 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -0.776 4.891 15.901 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -1.546 5.111 15.381 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -1.136 4.631 16.751 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 -10.625 -9.887 8.283 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 -11.045 -10.717 8.053 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 -11.355 -9.267 8.363 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 1.263 -12.365 -10.502 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 1.803 -12.255 -11.282 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 1.833 -12.805 -9.872 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 -21.045 -22.117 15.747 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 -20.255 -22.477 16.147 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 -21.675 -22.057 16.457 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -8.223 -6.341 -22.093 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -8.153 -7.291 -22.253 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -8.923 -6.051 -22.673 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 13.067 14.843 -4.599 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 12.817 15.503 -3.959 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 12.957 14.003 -4.139 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -20.477 -7.265 -6.103 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -20.017 -7.805 -6.743 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.657 -7.855 -5.373 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 -20.490 -16.668 -14.047 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 -19.790 -17.128 -13.587 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -21.240 -17.258 -14.007 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 -24.244 3.071 23.035 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 -24.134 3.161 22.095 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 -23.454 2.591 23.325 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 8.295 -1.458 9.473 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 8.545 -1.578 10.393 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 7.505 -0.928 9.503 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 1.141 -9.808 9.237 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 0.721 -9.868 10.097 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 0.821 -10.568 8.767 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 7.791 -18.779 0.727 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 8.481 -18.379 1.267 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 7.741 -18.219 -0.053 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 -8.758 -16.593 -12.962 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 -8.708 -17.543 -13.052 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 -9.678 -16.413 -12.762 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 12.804 -5.996 -16.145 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 12.364 -5.506 -16.835 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 13.704 -5.656 -16.145 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -23.147 -19.358 -20.303 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -22.617 -18.568 -20.363 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -23.677 -19.348 -21.103 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 16.097 -10.008 -15.089 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 16.677 -9.968 -15.849 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 15.337 -9.488 -15.339 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -5.998 -2.727 -21.339 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -5.858 -3.667 -21.229 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -6.948 -2.627 -21.319 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -23.427 15.144 -10.146 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -22.497 15.024 -9.946 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -23.487 15.024 -11.086 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 21.512 -15.497 -13.591 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 21.952 -14.837 -14.121 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 20.592 -15.237 -13.601 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 9.811 -9.476 12.768 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 9.861 -8.606 13.169 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 8.891 -9.596 12.568 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -21.714 7.873 -22.981 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -20.774 7.773 -22.841 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -21.814 7.993 -23.921 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 10.876 21.304 -12.243 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 11.186 20.694 -11.573 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 9.946 21.434 -12.043 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -23.426 -0.255 -18.267 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -22.866 -0.745 -18.867 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.236 -0.765 -18.217 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -12.649 17.894 10.651 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -13.449 17.464 10.341 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -12.929 18.404 11.411 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 11.085 -11.084 -9.613 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 10.315 -10.884 -10.143 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 11.045 -10.484 -8.873 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 7.789 -22.976 11.197 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 7.449 -23.376 10.397 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 8.619 -22.576 10.927 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 22.865 -12.509 -15.462 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 23.565 -11.879 -15.292 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 22.935 -12.689 -16.402 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.087 16.922 -17.306 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.857 17.212 -16.826 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 12.847 17.682 -17.846 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 18.585 9.436 -24.565 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 19.475 9.086 -24.525 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 18.515 9.986 -23.785 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 5.977 9.214 -12.167 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 6.577 9.954 -12.087 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 6.267 8.584 -11.507 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 9.772 1.775 7.074 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 9.762 2.585 6.565 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 9.672 1.075 6.425 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 4.424 -24.938 10.765 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 4.804 -25.808 10.925 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 4.784 -24.668 9.925 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 -7.895 3.791 -24.659 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 -8.685 4.031 -25.159 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 -8.225 3.571 -23.789 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 -22.355 5.234 -21.109 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 -21.685 5.914 -21.029 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 -22.655 5.294 -22.019 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -3.641 -23.426 -19.872 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -4.351 -24.016 -20.102 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -4.051 -22.716 -19.372 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 20.354 -0.316 11.988 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 20.714 -1.186 12.118 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 20.754 -0.006 11.168 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 11.026 -15.928 3.403 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 11.726 -15.448 3.843 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 11.406 -16.788 3.203 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -17.146 -7.921 15.319 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -17.936 -7.861 14.789 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -17.246 -7.271 15.999 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 21.272 -12.210 -0.085 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 21.672 -11.560 0.485 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 20.492 -11.790 -0.425 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -15.366 3.796 10.868 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -16.046 3.126 10.968 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -15.006 3.626 9.998 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 17.780 -0.278 -4.937 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 18.150 0.582 -4.757 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 17.110 -0.398 -4.257 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -25.403 -3.225 -12.695 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -24.723 -3.115 -12.025 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -25.103 -2.685 -13.425 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 24.025 23.673 -20.931 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 24.425 23.353 -20.121 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 24.735 24.123 -21.381 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -24.558 -22.707 6.473 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -24.688 -22.847 7.413 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -25.228 -23.247 6.053 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 -8.117 12.551 -20.969 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 -7.927 12.411 -20.039 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 -8.217 13.501 -21.049 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 -15.545 17.097 -4.286 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 -14.595 17.107 -4.156 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 -15.905 17.077 -3.396 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 -14.725 5.813 -5.299 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 -13.865 5.793 -4.859 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 -15.355 5.863 -4.579 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -10.065 -17.796 -23.647 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 -9.655 -18.636 -23.857 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -9.555 -17.446 -22.927 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 -5.407 -2.939 20.811 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 -4.567 -2.629 20.471 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 -5.177 -3.499 21.551 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 7.836 -10.455 -13.872 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 7.366 -11.275 -13.712 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 7.936 -10.405 -14.822 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 -13.854 11.053 -13.539 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 -13.044 11.513 -13.769 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 -14.354 11.693 -13.029 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 -4.136 -24.537 -10.846 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 -5.046 -24.267 -10.786 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 -3.636 -23.737 -10.666 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 -2.173 -13.338 6.043 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 -1.753 -14.078 6.463 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 -3.063 -13.638 5.863 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 15.486 15.582 -23.492 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -17.527 -13.684 -6.647 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 21.125 2.284 -14.589 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 -2.807 7.753 -4.811 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.603 -3.364 3.593 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 5.542 22.363 -23.841 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 8.315 -24.897 -21.613 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -15.746 18.125 8.049 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 -8.165 -21.136 18.299 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -19.893 5.453 13.171 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 21.145 6.834 22.083 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.085 18.755 24.699 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 8.144 -10.348 19.603 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 -6.457 -22.107 20.319 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -14.993 21.141 23.557 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 2.855 -1.355 1.377 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 3.077 22.274 -23.291 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/input/e1s2_ntl9_1ns_1/structure.psf b/adaptivemd/input/e1s2_ntl9_1ns_1/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/input/e1s2_ntl9_1ns_1/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 0 + 750 WT0 129 TIP3 H1 HT 0.417000 1.0080 0 + 751 WT0 129 TIP3 H2 HT 0.417000 1.0080 0 + 752 WT0 130 TIP3 OH2 OT -0.834000 15.9994 0 + 753 WT0 130 TIP3 H1 HT 0.417000 1.0080 0 + 754 WT0 130 TIP3 H2 HT 0.417000 1.0080 0 + 755 WT0 133 TIP3 OH2 OT -0.834000 15.9994 0 + 756 WT0 133 TIP3 H1 HT 0.417000 1.0080 0 + 757 WT0 133 TIP3 H2 HT 0.417000 1.0080 0 + 758 WT0 134 TIP3 OH2 OT -0.834000 15.9994 0 + 759 WT0 134 TIP3 H1 HT 0.417000 1.0080 0 + 760 WT0 134 TIP3 H2 HT 0.417000 1.0080 0 + 761 WT0 135 TIP3 OH2 OT -0.834000 15.9994 0 + 762 WT0 135 TIP3 H1 HT 0.417000 1.0080 0 + 763 WT0 135 TIP3 H2 HT 0.417000 1.0080 0 + 764 WT0 137 TIP3 OH2 OT -0.834000 15.9994 0 + 765 WT0 137 TIP3 H1 HT 0.417000 1.0080 0 + 766 WT0 137 TIP3 H2 HT 0.417000 1.0080 0 + 767 WT0 145 TIP3 OH2 OT -0.834000 15.9994 0 + 768 WT0 145 TIP3 H1 HT 0.417000 1.0080 0 + 769 WT0 145 TIP3 H2 HT 0.417000 1.0080 0 + 770 WT0 146 TIP3 OH2 OT -0.834000 15.9994 0 + 771 WT0 146 TIP3 H1 HT 0.417000 1.0080 0 + 772 WT0 146 TIP3 H2 HT 0.417000 1.0080 0 + 773 WT0 149 TIP3 OH2 OT -0.834000 15.9994 0 + 774 WT0 149 TIP3 H1 HT 0.417000 1.0080 0 + 775 WT0 149 TIP3 H2 HT 0.417000 1.0080 0 + 776 WT0 150 TIP3 OH2 OT -0.834000 15.9994 0 + 777 WT0 150 TIP3 H1 HT 0.417000 1.0080 0 + 778 WT0 150 TIP3 H2 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167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 + 818 WT0 190 TIP3 OH2 OT -0.834000 15.9994 0 + 819 WT0 190 TIP3 H1 HT 0.417000 1.0080 0 + 820 WT0 190 TIP3 H2 HT 0.417000 1.0080 0 + 821 WT0 191 TIP3 OH2 OT -0.834000 15.9994 0 + 822 WT0 191 TIP3 H1 HT 0.417000 1.0080 0 + 823 WT0 191 TIP3 H2 HT 0.417000 1.0080 0 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15.9994 0 + 915 WT0 306 TIP3 H1 HT 0.417000 1.0080 0 + 916 WT0 306 TIP3 H2 HT 0.417000 1.0080 0 + 917 WT0 316 TIP3 OH2 OT -0.834000 15.9994 0 + 918 WT0 316 TIP3 H1 HT 0.417000 1.0080 0 + 919 WT0 316 TIP3 H2 HT 0.417000 1.0080 0 + 920 WT0 322 TIP3 OH2 OT -0.834000 15.9994 0 + 921 WT0 322 TIP3 H1 HT 0.417000 1.0080 0 + 922 WT0 322 TIP3 H2 HT 0.417000 1.0080 0 + 923 WT0 325 TIP3 OH2 OT -0.834000 15.9994 0 + 924 WT0 325 TIP3 H1 HT 0.417000 1.0080 0 + 925 WT0 325 TIP3 H2 HT 0.417000 1.0080 0 + 926 WT0 327 TIP3 OH2 OT -0.834000 15.9994 0 + 927 WT0 327 TIP3 H1 HT 0.417000 1.0080 0 + 928 WT0 327 TIP3 H2 HT 0.417000 1.0080 0 + 929 WT0 328 TIP3 OH2 OT -0.834000 15.9994 0 + 930 WT0 328 TIP3 H1 HT 0.417000 1.0080 0 + 931 WT0 328 TIP3 H2 HT 0.417000 1.0080 0 + 932 WT0 332 TIP3 OH2 OT -0.834000 15.9994 0 + 933 WT0 332 TIP3 H1 HT 0.417000 1.0080 0 + 934 WT0 332 TIP3 H2 HT 0.417000 1.0080 0 + 935 WT0 338 TIP3 OH2 OT -0.834000 15.9994 0 + 936 WT0 338 TIP3 H1 HT 0.417000 1.0080 0 + 937 WT0 338 TIP3 H2 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0.417000 1.0080 0 + 1006 WT0 479 TIP3 H2 HT 0.417000 1.0080 0 + 1007 WT0 484 TIP3 OH2 OT -0.834000 15.9994 0 + 1008 WT0 484 TIP3 H1 HT 0.417000 1.0080 0 + 1009 WT0 484 TIP3 H2 HT 0.417000 1.0080 0 + 1010 WT0 485 TIP3 OH2 OT -0.834000 15.9994 0 + 1011 WT0 485 TIP3 H1 HT 0.417000 1.0080 0 + 1012 WT0 485 TIP3 H2 HT 0.417000 1.0080 0 + 1013 WT0 486 TIP3 OH2 OT -0.834000 15.9994 0 + 1014 WT0 486 TIP3 H1 HT 0.417000 1.0080 0 + 1015 WT0 486 TIP3 H2 HT 0.417000 1.0080 0 + 1016 WT0 489 TIP3 OH2 OT -0.834000 15.9994 0 + 1017 WT0 489 TIP3 H1 HT 0.417000 1.0080 0 + 1018 WT0 489 TIP3 H2 HT 0.417000 1.0080 0 + 1019 WT0 490 TIP3 OH2 OT -0.834000 15.9994 0 + 1020 WT0 490 TIP3 H1 HT 0.417000 1.0080 0 + 1021 WT0 490 TIP3 H2 HT 0.417000 1.0080 0 + 1022 WT0 491 TIP3 OH2 OT -0.834000 15.9994 0 + 1023 WT0 491 TIP3 H1 HT 0.417000 1.0080 0 + 1024 WT0 491 TIP3 H2 HT 0.417000 1.0080 0 + 1025 WT0 493 TIP3 OH2 OT -0.834000 15.9994 0 + 1026 WT0 493 TIP3 H1 HT 0.417000 1.0080 0 + 1027 WT0 493 TIP3 H2 HT 0.417000 1.0080 0 + 1028 WT0 494 TIP3 OH2 OT -0.834000 15.9994 0 + 1029 WT0 494 TIP3 H1 HT 0.417000 1.0080 0 + 1030 WT0 494 TIP3 H2 HT 0.417000 1.0080 0 + 1031 WT0 495 TIP3 OH2 OT -0.834000 15.9994 0 + 1032 WT0 495 TIP3 H1 HT 0.417000 1.0080 0 + 1033 WT0 495 TIP3 H2 HT 0.417000 1.0080 0 + 1034 WT0 498 TIP3 OH2 OT -0.834000 15.9994 0 + 1035 WT0 498 TIP3 H1 HT 0.417000 1.0080 0 + 1036 WT0 498 TIP3 H2 HT 0.417000 1.0080 0 + 1037 WT0 500 TIP3 OH2 OT -0.834000 15.9994 0 + 1038 WT0 500 TIP3 H1 HT 0.417000 1.0080 0 + 1039 WT0 500 TIP3 H2 HT 0.417000 1.0080 0 + 1040 WT0 503 TIP3 OH2 OT -0.834000 15.9994 0 + 1041 WT0 503 TIP3 H1 HT 0.417000 1.0080 0 + 1042 WT0 503 TIP3 H2 HT 0.417000 1.0080 0 + 1043 WT0 506 TIP3 OH2 OT -0.834000 15.9994 0 + 1044 WT0 506 TIP3 H1 HT 0.417000 1.0080 0 + 1045 WT0 506 TIP3 H2 HT 0.417000 1.0080 0 + 1046 WT0 507 TIP3 OH2 OT -0.834000 15.9994 0 + 1047 WT0 507 TIP3 H1 HT 0.417000 1.0080 0 + 1048 WT0 507 TIP3 H2 HT 0.417000 1.0080 0 + 1049 WT0 508 TIP3 OH2 OT -0.834000 15.9994 0 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517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 + 1155 WT0 587 TIP3 H1 HT 0.417000 1.0080 0 + 1156 WT0 587 TIP3 H2 HT 0.417000 1.0080 0 + 1157 WT0 588 TIP3 OH2 OT -0.834000 15.9994 0 + 1158 WT0 588 TIP3 H1 HT 0.417000 1.0080 0 + 1159 WT0 588 TIP3 H2 HT 0.417000 1.0080 0 + 1160 WT0 591 TIP3 OH2 OT -0.834000 15.9994 0 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601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 + 1266 WT0 676 TIP3 H1 HT 0.417000 1.0080 0 + 1267 WT0 676 TIP3 H2 HT 0.417000 1.0080 0 + 1268 WT0 677 TIP3 OH2 OT -0.834000 15.9994 0 + 1269 WT0 677 TIP3 H1 HT 0.417000 1.0080 0 + 1270 WT0 677 TIP3 H2 HT 0.417000 1.0080 0 + 1271 WT0 679 TIP3 OH2 OT -0.834000 15.9994 0 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700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 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813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT -0.834000 15.9994 0 + 1413 WT0 822 TIP3 H1 HT 0.417000 1.0080 0 + 1414 WT0 822 TIP3 H2 HT 0.417000 1.0080 0 + 1415 WT0 835 TIP3 OH2 OT -0.834000 15.9994 0 + 1416 WT0 835 TIP3 H1 HT 0.417000 1.0080 0 + 1417 WT0 835 TIP3 H2 HT 0.417000 1.0080 0 + 1418 WT0 849 TIP3 OH2 OT -0.834000 15.9994 0 + 1419 WT0 849 TIP3 H1 HT 0.417000 1.0080 0 + 1420 WT0 849 TIP3 H2 HT 0.417000 1.0080 0 + 1421 WT0 852 TIP3 OH2 OT -0.834000 15.9994 0 + 1422 WT0 852 TIP3 H1 HT 0.417000 1.0080 0 + 1423 WT0 852 TIP3 H2 HT 0.417000 1.0080 0 + 1424 WT0 854 TIP3 OH2 OT -0.834000 15.9994 0 + 1425 WT0 854 TIP3 H1 HT 0.417000 1.0080 0 + 1426 WT0 854 TIP3 H2 HT 0.417000 1.0080 0 + 1427 WT0 867 TIP3 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1040 TIP3 H2 HT 0.417000 1.0080 0 + 1649 WT0 1042 TIP3 OH2 OT -0.834000 15.9994 0 + 1650 WT0 1042 TIP3 H1 HT 0.417000 1.0080 0 + 1651 WT0 1042 TIP3 H2 HT 0.417000 1.0080 0 + 1652 WT0 1043 TIP3 OH2 OT -0.834000 15.9994 0 + 1653 WT0 1043 TIP3 H1 HT 0.417000 1.0080 0 + 1654 WT0 1043 TIP3 H2 HT 0.417000 1.0080 0 + 1655 WT0 1045 TIP3 OH2 OT -0.834000 15.9994 0 + 1656 WT0 1045 TIP3 H1 HT 0.417000 1.0080 0 + 1657 WT0 1045 TIP3 H2 HT 0.417000 1.0080 0 + 1658 WT0 1053 TIP3 OH2 OT -0.834000 15.9994 0 + 1659 WT0 1053 TIP3 H1 HT 0.417000 1.0080 0 + 1660 WT0 1053 TIP3 H2 HT 0.417000 1.0080 0 + 1661 WT0 1055 TIP3 OH2 OT -0.834000 15.9994 0 + 1662 WT0 1055 TIP3 H1 HT 0.417000 1.0080 0 + 1663 WT0 1055 TIP3 H2 HT 0.417000 1.0080 0 + 1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 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-0.834000 15.9994 0 + 1692 WT0 1065 TIP3 H1 HT 0.417000 1.0080 0 + 1693 WT0 1065 TIP3 H2 HT 0.417000 1.0080 0 + 1694 WT0 1066 TIP3 OH2 OT -0.834000 15.9994 0 + 1695 WT0 1066 TIP3 H1 HT 0.417000 1.0080 0 + 1696 WT0 1066 TIP3 H2 HT 0.417000 1.0080 0 + 1697 WT0 1069 TIP3 OH2 OT -0.834000 15.9994 0 + 1698 WT0 1069 TIP3 H1 HT 0.417000 1.0080 0 + 1699 WT0 1069 TIP3 H2 HT 0.417000 1.0080 0 + 1700 WT0 1076 TIP3 OH2 OT -0.834000 15.9994 0 + 1701 WT0 1076 TIP3 H1 HT 0.417000 1.0080 0 + 1702 WT0 1076 TIP3 H2 HT 0.417000 1.0080 0 + 1703 WT0 1077 TIP3 OH2 OT -0.834000 15.9994 0 + 1704 WT0 1077 TIP3 H1 HT 0.417000 1.0080 0 + 1705 WT0 1077 TIP3 H2 HT 0.417000 1.0080 0 + 1706 WT0 1078 TIP3 OH2 OT -0.834000 15.9994 0 + 1707 WT0 1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 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2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 0 + 3291 WT0 2151 TIP3 H1 HT 0.417000 1.0080 0 + 3292 WT0 2151 TIP3 H2 HT 0.417000 1.0080 0 + 3293 WT0 2155 TIP3 OH2 OT -0.834000 15.9994 0 + 3294 WT0 2155 TIP3 H1 HT 0.417000 1.0080 0 + 3295 WT0 2155 TIP3 H2 HT 0.417000 1.0080 0 + 3296 WT0 2159 TIP3 OH2 OT -0.834000 15.9994 0 + 3297 WT0 2159 TIP3 H1 HT 0.417000 1.0080 0 + 3298 WT0 2159 TIP3 H2 HT 0.417000 1.0080 0 + 3299 WT0 2163 TIP3 OH2 OT -0.834000 15.9994 0 + 3300 WT0 2163 TIP3 H1 HT 0.417000 1.0080 0 + 3301 WT0 2163 TIP3 H2 HT 0.417000 1.0080 0 + 3302 WT0 2165 TIP3 OH2 OT -0.834000 15.9994 0 + 3303 WT0 2165 TIP3 H1 HT 0.417000 1.0080 0 + 3304 WT0 2165 TIP3 H2 HT 0.417000 1.0080 0 + 3305 WT0 2167 TIP3 OH2 OT -0.834000 15.9994 0 + 3306 WT0 2167 TIP3 H1 HT 0.417000 1.0080 0 + 3307 WT0 2167 TIP3 H2 HT 0.417000 1.0080 0 + 3308 WT0 2168 TIP3 OH2 OT -0.834000 15.9994 0 + 3309 WT0 2168 TIP3 H1 HT 0.417000 1.0080 0 + 3310 WT0 2168 TIP3 H2 HT 0.417000 1.0080 0 + 3311 WT0 2172 TIP3 OH2 OT -0.834000 15.9994 0 + 3312 WT0 2172 TIP3 H1 HT 0.417000 1.0080 0 + 3313 WT0 2172 TIP3 H2 HT 0.417000 1.0080 0 + 3314 WT0 2180 TIP3 OH2 OT -0.834000 15.9994 0 + 3315 WT0 2180 TIP3 H1 HT 0.417000 1.0080 0 + 3316 WT0 2180 TIP3 H2 HT 0.417000 1.0080 0 + 3317 WT0 2185 TIP3 OH2 OT -0.834000 15.9994 0 + 3318 WT0 2185 TIP3 H1 HT 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TIP3 H2 HT 0.417000 1.0080 0 + 3623 WT0 2368 TIP3 OH2 OT -0.834000 15.9994 0 + 3624 WT0 2368 TIP3 H1 HT 0.417000 1.0080 0 + 3625 WT0 2368 TIP3 H2 HT 0.417000 1.0080 0 + 3626 WT0 2376 TIP3 OH2 OT -0.834000 15.9994 0 + 3627 WT0 2376 TIP3 H1 HT 0.417000 1.0080 0 + 3628 WT0 2376 TIP3 H2 HT 0.417000 1.0080 0 + 3629 WT0 2377 TIP3 OH2 OT -0.834000 15.9994 0 + 3630 WT0 2377 TIP3 H1 HT 0.417000 1.0080 0 + 3631 WT0 2377 TIP3 H2 HT 0.417000 1.0080 0 + 3632 WT0 2380 TIP3 OH2 OT -0.834000 15.9994 0 + 3633 WT0 2380 TIP3 H1 HT 0.417000 1.0080 0 + 3634 WT0 2380 TIP3 H2 HT 0.417000 1.0080 0 + 3635 WT0 2383 TIP3 OH2 OT -0.834000 15.9994 0 + 3636 WT0 2383 TIP3 H1 HT 0.417000 1.0080 0 + 3637 WT0 2383 TIP3 H2 HT 0.417000 1.0080 0 + 3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT 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2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 + 3703 WT0 2421 TIP3 H2 HT 0.417000 1.0080 0 + 3704 WT0 2422 TIP3 OH2 OT -0.834000 15.9994 0 + 3705 WT0 2422 TIP3 H1 HT 0.417000 1.0080 0 + 3706 WT0 2422 TIP3 H2 HT 0.417000 1.0080 0 + 3707 WT0 2423 TIP3 OH2 OT -0.834000 15.9994 0 + 3708 WT0 2423 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT 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2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 + 3985 WT0 2650 TIP3 H2 HT 0.417000 1.0080 0 + 3986 WT0 2654 TIP3 OH2 OT -0.834000 15.9994 0 + 3987 WT0 2654 TIP3 H1 HT 0.417000 1.0080 0 + 3988 WT0 2654 TIP3 H2 HT 0.417000 1.0080 0 + 3989 WT0 2656 TIP3 OH2 OT -0.834000 15.9994 0 + 3990 WT0 2656 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT -0.834000 15.9994 0 + 4224 WT0 2798 TIP3 H1 HT 0.417000 1.0080 0 + 4225 WT0 2798 TIP3 H2 HT 0.417000 1.0080 0 + 4226 WT0 2801 TIP3 OH2 OT -0.834000 15.9994 0 + 4227 WT0 2801 TIP3 H1 HT 0.417000 1.0080 0 + 4228 WT0 2801 TIP3 H2 HT 0.417000 1.0080 0 + 4229 WT0 2802 TIP3 OH2 OT 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2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 + 4267 WT0 2824 TIP3 H2 HT 0.417000 1.0080 0 + 4268 WT0 2826 TIP3 OH2 OT -0.834000 15.9994 0 + 4269 WT0 2826 TIP3 H1 HT 0.417000 1.0080 0 + 4270 WT0 2826 TIP3 H2 HT 0.417000 1.0080 0 + 4271 WT0 2829 TIP3 OH2 OT -0.834000 15.9994 0 + 4272 WT0 2829 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 TIP3 OH2 OT -0.834000 15.9994 0 + 4311 WT0 2850 TIP3 H1 HT 0.417000 1.0080 0 + 4312 WT0 2850 TIP3 H2 HT 0.417000 1.0080 0 + 4313 WT0 2852 TIP3 OH2 OT -0.834000 15.9994 0 + 4314 WT0 2852 TIP3 H1 HT 0.417000 1.0080 0 + 4315 WT0 2852 TIP3 H2 HT 0.417000 1.0080 0 + 4316 WT0 2857 TIP3 OH2 OT -0.834000 15.9994 0 + 4317 WT0 2857 TIP3 H1 HT 0.417000 1.0080 0 + 4318 WT0 2857 TIP3 H2 HT 0.417000 1.0080 0 + 4319 WT0 2858 TIP3 OH2 OT -0.834000 15.9994 0 + 4320 WT0 2858 TIP3 H1 HT 0.417000 1.0080 0 + 4321 WT0 2858 TIP3 H2 HT 0.417000 1.0080 0 + 4322 WT0 2859 TIP3 OH2 OT -0.834000 15.9994 0 + 4323 WT0 2859 TIP3 H1 HT 0.417000 1.0080 0 + 4324 WT0 2859 TIP3 H2 HT 0.417000 1.0080 0 + 4325 WT0 2860 TIP3 OH2 OT -0.834000 15.9994 0 + 4326 WT0 2860 TIP3 H1 HT 0.417000 1.0080 0 + 4327 WT0 2860 TIP3 H2 HT 0.417000 1.0080 0 + 4328 WT0 2861 TIP3 OH2 OT -0.834000 15.9994 0 + 4329 WT0 2861 TIP3 H1 HT 0.417000 1.0080 0 + 4330 WT0 2861 TIP3 H2 HT 0.417000 1.0080 0 + 4331 WT0 2863 TIP3 OH2 OT -0.834000 15.9994 0 + 4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 1.0080 0 + 4354 WT0 2878 TIP3 H2 HT 0.417000 1.0080 0 + 4355 WT0 2880 TIP3 OH2 OT -0.834000 15.9994 0 + 4356 WT0 2880 TIP3 H1 HT 0.417000 1.0080 0 + 4357 WT0 2880 TIP3 H2 HT 0.417000 1.0080 0 + 4358 WT0 2882 TIP3 OH2 OT -0.834000 15.9994 0 + 4359 WT0 2882 TIP3 H1 HT 0.417000 1.0080 0 + 4360 WT0 2882 TIP3 H2 HT 0.417000 1.0080 0 + 4361 WT0 2883 TIP3 OH2 OT -0.834000 15.9994 0 + 4362 WT0 2883 TIP3 H1 HT 0.417000 1.0080 0 + 4363 WT0 2883 TIP3 H2 HT 0.417000 1.0080 0 + 4364 WT0 2884 TIP3 OH2 OT -0.834000 15.9994 0 + 4365 WT0 2884 TIP3 H1 HT 0.417000 1.0080 0 + 4366 WT0 2884 TIP3 H2 HT 0.417000 1.0080 0 + 4367 WT0 2886 TIP3 OH2 OT -0.834000 15.9994 0 + 4368 WT0 2886 TIP3 H1 HT 0.417000 1.0080 0 + 4369 WT0 2886 TIP3 H2 HT 0.417000 1.0080 0 + 4370 WT0 2888 TIP3 OH2 OT -0.834000 15.9994 0 + 4371 WT0 2888 TIP3 H1 HT 0.417000 1.0080 0 + 4372 WT0 2888 TIP3 H2 HT 0.417000 1.0080 0 + 4373 WT0 2889 TIP3 OH2 OT -0.834000 15.9994 0 + 4374 WT0 2889 TIP3 H1 HT 0.417000 1.0080 0 + 4375 WT0 2889 TIP3 H2 HT 0.417000 1.0080 0 + 4376 WT0 2890 TIP3 OH2 OT -0.834000 15.9994 0 + 4377 WT0 2890 TIP3 H1 HT 0.417000 1.0080 0 + 4378 WT0 2890 TIP3 H2 HT 0.417000 1.0080 0 + 4379 WT0 2891 TIP3 OH2 OT -0.834000 15.9994 0 + 4380 WT0 2891 TIP3 H1 HT 0.417000 1.0080 0 + 4381 WT0 2891 TIP3 H2 HT 0.417000 1.0080 0 + 4382 WT0 2893 TIP3 OH2 OT -0.834000 15.9994 0 + 4383 WT0 2893 TIP3 H1 HT 0.417000 1.0080 0 + 4384 WT0 2893 TIP3 H2 HT 0.417000 1.0080 0 + 4385 WT0 2894 TIP3 OH2 OT -0.834000 15.9994 0 + 4386 WT0 2894 TIP3 H1 HT 0.417000 1.0080 0 + 4387 WT0 2894 TIP3 H2 HT 0.417000 1.0080 0 + 4388 WT0 2897 TIP3 OH2 OT -0.834000 15.9994 0 + 4389 WT0 2897 TIP3 H1 HT 0.417000 1.0080 0 + 4390 WT0 2897 TIP3 H2 HT 0.417000 1.0080 0 + 4391 WT0 2899 TIP3 OH2 OT -0.834000 15.9994 0 + 4392 WT0 2899 TIP3 H1 HT 0.417000 1.0080 0 + 4393 WT0 2899 TIP3 H2 HT 0.417000 1.0080 0 + 4394 WT0 2900 TIP3 OH2 OT -0.834000 15.9994 0 + 4395 WT0 2900 TIP3 H1 HT 0.417000 1.0080 0 + 4396 WT0 2900 TIP3 H2 HT 0.417000 1.0080 0 + 4397 WT0 2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 0 + 4419 WT0 2911 TIP3 H1 HT 0.417000 1.0080 0 + 4420 WT0 2911 TIP3 H2 HT 0.417000 1.0080 0 + 4421 WT0 2913 TIP3 OH2 OT -0.834000 15.9994 0 + 4422 WT0 2913 TIP3 H1 HT 0.417000 1.0080 0 + 4423 WT0 2913 TIP3 H2 HT 0.417000 1.0080 0 + 4424 WT0 2918 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 4447 WT0 2929 TIP3 H2 HT 0.417000 1.0080 0 + 4448 WT0 2930 TIP3 OH2 OT -0.834000 15.9994 0 + 4449 WT0 2930 TIP3 H1 HT 0.417000 1.0080 0 + 4450 WT0 2930 TIP3 H2 HT 0.417000 1.0080 0 + 4451 WT0 2932 TIP3 OH2 OT -0.834000 15.9994 0 + 4452 WT0 2932 TIP3 H1 HT 0.417000 1.0080 0 + 4453 WT0 2932 TIP3 H2 HT 0.417000 1.0080 0 + 4454 WT0 2933 TIP3 OH2 OT -0.834000 15.9994 0 + 4455 WT0 2933 TIP3 H1 HT 0.417000 1.0080 0 + 4456 WT0 2933 TIP3 H2 HT 0.417000 1.0080 0 + 4457 WT0 2934 TIP3 OH2 OT -0.834000 15.9994 0 + 4458 WT0 2934 TIP3 H1 HT 0.417000 1.0080 0 + 4459 WT0 2934 TIP3 H2 HT 0.417000 1.0080 0 + 4460 WT0 2936 TIP3 OH2 OT -0.834000 15.9994 0 + 4461 WT0 2936 TIP3 H1 HT 0.417000 1.0080 0 + 4462 WT0 2936 TIP3 H2 HT 0.417000 1.0080 0 + 4463 WT0 2941 TIP3 OH2 OT -0.834000 15.9994 0 + 4464 WT0 2941 TIP3 H1 HT 0.417000 1.0080 0 + 4465 WT0 2941 TIP3 H2 HT 0.417000 1.0080 0 + 4466 WT0 2943 TIP3 OH2 OT -0.834000 15.9994 0 + 4467 WT0 2943 TIP3 H1 HT 0.417000 1.0080 0 + 4468 WT0 2943 TIP3 H2 HT 0.417000 1.0080 0 + 4469 WT0 2944 TIP3 OH2 OT -0.834000 15.9994 0 + 4470 WT0 2944 TIP3 H1 HT 0.417000 1.0080 0 + 4471 WT0 2944 TIP3 H2 HT 0.417000 1.0080 0 + 4472 WT0 2946 TIP3 OH2 OT -0.834000 15.9994 0 + 4473 WT0 2946 TIP3 H1 HT 0.417000 1.0080 0 + 4474 WT0 2946 TIP3 H2 HT 0.417000 1.0080 0 + 4475 WT0 2951 TIP3 OH2 OT -0.834000 15.9994 0 + 4476 WT0 2951 TIP3 H1 HT 0.417000 1.0080 0 + 4477 WT0 2951 TIP3 H2 HT 0.417000 1.0080 0 + 4478 WT0 2952 TIP3 OH2 OT -0.834000 15.9994 0 + 4479 WT0 2952 TIP3 H1 HT 0.417000 1.0080 0 + 4480 WT0 2952 TIP3 H2 HT 0.417000 1.0080 0 + 4481 WT0 2953 TIP3 OH2 OT -0.834000 15.9994 0 + 4482 WT0 2953 TIP3 H1 HT 0.417000 1.0080 0 + 4483 WT0 2953 TIP3 H2 HT 0.417000 1.0080 0 + 4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT -0.834000 15.9994 0 + 4506 WT0 2967 TIP3 H1 HT 0.417000 1.0080 0 + 4507 WT0 2967 TIP3 H2 HT 0.417000 1.0080 0 + 4508 WT0 2969 TIP3 OH2 OT -0.834000 15.9994 0 + 4509 WT0 2969 TIP3 H1 HT 0.417000 1.0080 0 + 4510 WT0 2969 TIP3 H2 HT 0.417000 1.0080 0 + 4511 WT0 2972 TIP3 OH2 OT 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2991 TIP3 H1 HT 0.417000 1.0080 0 + 4534 WT0 2991 TIP3 H2 HT 0.417000 1.0080 0 + 4535 WT0 2992 TIP3 OH2 OT -0.834000 15.9994 0 + 4536 WT0 2992 TIP3 H1 HT 0.417000 1.0080 0 + 4537 WT0 2992 TIP3 H2 HT 0.417000 1.0080 0 + 4538 WT0 2993 TIP3 OH2 OT -0.834000 15.9994 0 + 4539 WT0 2993 TIP3 H1 HT 0.417000 1.0080 0 + 4540 WT0 2993 TIP3 H2 HT 0.417000 1.0080 0 + 4541 WT0 2994 TIP3 OH2 OT -0.834000 15.9994 0 + 4542 WT0 2994 TIP3 H1 HT 0.417000 1.0080 0 + 4543 WT0 2994 TIP3 H2 HT 0.417000 1.0080 0 + 4544 WT0 2996 TIP3 OH2 OT -0.834000 15.9994 0 + 4545 WT0 2996 TIP3 H1 HT 0.417000 1.0080 0 + 4546 WT0 2996 TIP3 H2 HT 0.417000 1.0080 0 + 4547 WT0 3006 TIP3 OH2 OT -0.834000 15.9994 0 + 4548 WT0 3006 TIP3 H1 HT 0.417000 1.0080 0 + 4549 WT0 3006 TIP3 H2 HT 0.417000 1.0080 0 + 4550 WT0 3010 TIP3 OH2 OT -0.834000 15.9994 0 + 4551 WT0 3010 TIP3 H1 HT 0.417000 1.0080 0 + 4552 WT0 3010 TIP3 H2 HT 0.417000 1.0080 0 + 4553 WT0 3011 TIP3 OH2 OT -0.834000 15.9994 0 + 4554 WT0 3011 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4577 WT0 3030 TIP3 OH2 OT -0.834000 15.9994 0 + 4578 WT0 3030 TIP3 H1 HT 0.417000 1.0080 0 + 4579 WT0 3030 TIP3 H2 HT 0.417000 1.0080 0 + 4580 WT0 3031 TIP3 OH2 OT -0.834000 15.9994 0 + 4581 WT0 3031 TIP3 H1 HT 0.417000 1.0080 0 + 4582 WT0 3031 TIP3 H2 HT 0.417000 1.0080 0 + 4583 WT0 3033 TIP3 OH2 OT -0.834000 15.9994 0 + 4584 WT0 3033 TIP3 H1 HT 0.417000 1.0080 0 + 4585 WT0 3033 TIP3 H2 HT 0.417000 1.0080 0 + 4586 WT0 3037 TIP3 OH2 OT -0.834000 15.9994 0 + 4587 WT0 3037 TIP3 H1 HT 0.417000 1.0080 0 + 4588 WT0 3037 TIP3 H2 HT 0.417000 1.0080 0 + 4589 WT0 3046 TIP3 OH2 OT -0.834000 15.9994 0 + 4590 WT0 3046 TIP3 H1 HT 0.417000 1.0080 0 + 4591 WT0 3046 TIP3 H2 HT 0.417000 1.0080 0 + 4592 WT0 3048 TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT 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3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 + 4831 WT0 3221 TIP3 H2 HT 0.417000 1.0080 0 + 4832 WT0 3223 TIP3 OH2 OT -0.834000 15.9994 0 + 4833 WT0 3223 TIP3 H1 HT 0.417000 1.0080 0 + 4834 WT0 3223 TIP3 H2 HT 0.417000 1.0080 0 + 4835 WT0 3224 TIP3 OH2 OT -0.834000 15.9994 0 + 4836 WT0 3224 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 + 5113 WT0 3390 TIP3 H2 HT 0.417000 1.0080 0 + 5114 WT0 3392 TIP3 OH2 OT -0.834000 15.9994 0 + 5115 WT0 3392 TIP3 H1 HT 0.417000 1.0080 0 + 5116 WT0 3392 TIP3 H2 HT 0.417000 1.0080 0 + 5117 WT0 3393 TIP3 OH2 OT -0.834000 15.9994 0 + 5118 WT0 3393 TIP3 H1 HT 0.417000 1.0080 0 + 5119 WT0 3393 TIP3 H2 HT 0.417000 1.0080 0 + 5120 WT0 3396 TIP3 OH2 OT -0.834000 15.9994 0 + 5121 WT0 3396 TIP3 H1 HT 0.417000 1.0080 0 + 5122 WT0 3396 TIP3 H2 HT 0.417000 1.0080 0 + 5123 WT0 3397 TIP3 OH2 OT -0.834000 15.9994 0 + 5124 WT0 3397 TIP3 H1 HT 0.417000 1.0080 0 + 5125 WT0 3397 TIP3 H2 HT 0.417000 1.0080 0 + 5126 WT0 3401 TIP3 OH2 OT -0.834000 15.9994 0 + 5127 WT0 3401 TIP3 H1 HT 0.417000 1.0080 0 + 5128 WT0 3401 TIP3 H2 HT 0.417000 1.0080 0 + 5129 WT0 3402 TIP3 OH2 OT -0.834000 15.9994 0 + 5130 WT0 3402 TIP3 H1 HT 0.417000 1.0080 0 + 5131 WT0 3402 TIP3 H2 HT 0.417000 1.0080 0 + 5132 WT0 3404 TIP3 OH2 OT -0.834000 15.9994 0 + 5133 WT0 3404 TIP3 H1 HT 0.417000 1.0080 0 + 5134 WT0 3404 TIP3 H2 HT 0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT 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4005 TIP3 H1 HT 0.417000 1.0080 0 + 5944 WT0 4005 TIP3 H2 HT 0.417000 1.0080 0 + 5945 WT0 4006 TIP3 OH2 OT -0.834000 15.9994 0 + 5946 WT0 4006 TIP3 H1 HT 0.417000 1.0080 0 + 5947 WT0 4006 TIP3 H2 HT 0.417000 1.0080 0 + 5948 WT0 4008 TIP3 OH2 OT -0.834000 15.9994 0 + 5949 WT0 4008 TIP3 H1 HT 0.417000 1.0080 0 + 5950 WT0 4008 TIP3 H2 HT 0.417000 1.0080 0 + 5951 WT0 4009 TIP3 OH2 OT -0.834000 15.9994 0 + 5952 WT0 4009 TIP3 H1 HT 0.417000 1.0080 0 + 5953 WT0 4009 TIP3 H2 HT 0.417000 1.0080 0 + 5954 WT0 4010 TIP3 OH2 OT -0.834000 15.9994 0 + 5955 WT0 4010 TIP3 H1 HT 0.417000 1.0080 0 + 5956 WT0 4010 TIP3 H2 HT 0.417000 1.0080 0 + 5957 WT0 4012 TIP3 OH2 OT -0.834000 15.9994 0 + 5958 WT0 4012 TIP3 H1 HT 0.417000 1.0080 0 + 5959 WT0 4012 TIP3 H2 HT 0.417000 1.0080 0 + 5960 WT0 4014 TIP3 OH2 OT -0.834000 15.9994 0 + 5961 WT0 4014 TIP3 H1 HT 0.417000 1.0080 0 + 5962 WT0 4014 TIP3 H2 HT 0.417000 1.0080 0 + 5963 WT0 4015 TIP3 OH2 OT -0.834000 15.9994 0 + 5964 WT0 4015 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 1.0080 0 + 5995 WT0 4035 TIP3 H2 HT 0.417000 1.0080 0 + 5996 WT0 4036 TIP3 OH2 OT -0.834000 15.9994 0 + 5997 WT0 4036 TIP3 H1 HT 0.417000 1.0080 0 + 5998 WT0 4036 TIP3 H2 HT 0.417000 1.0080 0 + 5999 WT0 4037 TIP3 OH2 OT -0.834000 15.9994 0 + 6000 WT0 4037 TIP3 H1 HT 0.417000 1.0080 0 + 6001 WT0 4037 TIP3 H2 HT 0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 1.0080 0 + 6046 WT0 4063 TIP3 H2 HT 0.417000 1.0080 0 + 6047 WT0 4064 TIP3 OH2 OT -0.834000 15.9994 0 + 6048 WT0 4064 TIP3 H1 HT 0.417000 1.0080 0 + 6049 WT0 4064 TIP3 H2 HT 0.417000 1.0080 0 + 6050 WT0 4065 TIP3 OH2 OT -0.834000 15.9994 0 + 6051 WT0 4065 TIP3 H1 HT 0.417000 1.0080 0 + 6052 WT0 4065 TIP3 H2 HT 0.417000 1.0080 0 + 6053 WT0 4067 TIP3 OH2 OT -0.834000 15.9994 0 + 6054 WT0 4067 TIP3 H1 HT 0.417000 1.0080 0 + 6055 WT0 4067 TIP3 H2 HT 0.417000 1.0080 0 + 6056 WT0 4068 TIP3 OH2 OT -0.834000 15.9994 0 + 6057 WT0 4068 TIP3 H1 HT 0.417000 1.0080 0 + 6058 WT0 4068 TIP3 H2 HT 0.417000 1.0080 0 + 6059 WT0 4072 TIP3 OH2 OT -0.834000 15.9994 0 + 6060 WT0 4072 TIP3 H1 HT 0.417000 1.0080 0 + 6061 WT0 4072 TIP3 H2 HT 0.417000 1.0080 0 + 6062 WT0 4074 TIP3 OH2 OT -0.834000 15.9994 0 + 6063 WT0 4074 TIP3 H1 HT 0.417000 1.0080 0 + 6064 WT0 4074 TIP3 H2 HT 0.417000 1.0080 0 + 6065 WT0 4076 TIP3 OH2 OT -0.834000 15.9994 0 + 6066 WT0 4076 TIP3 H1 HT 0.417000 1.0080 0 + 6067 WT0 4076 TIP3 H2 HT 0.417000 1.0080 0 + 6068 WT0 4077 TIP3 OH2 OT -0.834000 15.9994 0 + 6069 WT0 4077 TIP3 H1 HT 0.417000 1.0080 0 + 6070 WT0 4077 TIP3 H2 HT 0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 0 + 6111 WT0 4099 TIP3 H1 HT 0.417000 1.0080 0 + 6112 WT0 4099 TIP3 H2 HT 0.417000 1.0080 0 + 6113 WT0 4101 TIP3 OH2 OT -0.834000 15.9994 0 + 6114 WT0 4101 TIP3 H1 HT 0.417000 1.0080 0 + 6115 WT0 4101 TIP3 H2 HT 0.417000 1.0080 0 + 6116 WT0 4103 TIP3 OH2 OT -0.834000 15.9994 0 + 6117 WT0 4103 TIP3 H1 HT 0.417000 1.0080 0 + 6118 WT0 4103 TIP3 H2 HT 0.417000 1.0080 0 + 6119 WT0 4105 TIP3 OH2 OT -0.834000 15.9994 0 + 6120 WT0 4105 TIP3 H1 HT 0.417000 1.0080 0 + 6121 WT0 4105 TIP3 H2 HT 0.417000 1.0080 0 + 6122 WT0 4106 TIP3 OH2 OT -0.834000 15.9994 0 + 6123 WT0 4106 TIP3 H1 HT 0.417000 1.0080 0 + 6124 WT0 4106 TIP3 H2 HT 0.417000 1.0080 0 + 6125 WT0 4107 TIP3 OH2 OT -0.834000 15.9994 0 + 6126 WT0 4107 TIP3 H1 HT 0.417000 1.0080 0 + 6127 WT0 4107 TIP3 H2 HT 0.417000 1.0080 0 + 6128 WT0 4108 TIP3 OH2 OT -0.834000 15.9994 0 + 6129 WT0 4108 TIP3 H1 HT 0.417000 1.0080 0 + 6130 WT0 4108 TIP3 H2 HT 0.417000 1.0080 0 + 6131 WT0 4109 TIP3 OH2 OT -0.834000 15.9994 0 + 6132 WT0 4109 TIP3 H1 HT 0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 1.0080 0 + 6187 WT0 4147 TIP3 H2 HT 0.417000 1.0080 0 + 6188 WT0 4148 TIP3 OH2 OT -0.834000 15.9994 0 + 6189 WT0 4148 TIP3 H1 HT 0.417000 1.0080 0 + 6190 WT0 4148 TIP3 H2 HT 0.417000 1.0080 0 + 6191 WT0 4149 TIP3 OH2 OT -0.834000 15.9994 0 + 6192 WT0 4149 TIP3 H1 HT 0.417000 1.0080 0 + 6193 WT0 4149 TIP3 H2 HT 0.417000 1.0080 0 + 6194 WT0 4150 TIP3 OH2 OT -0.834000 15.9994 0 + 6195 WT0 4150 TIP3 H1 HT 0.417000 1.0080 0 + 6196 WT0 4150 TIP3 H2 HT 0.417000 1.0080 0 + 6197 WT0 4151 TIP3 OH2 OT -0.834000 15.9994 0 + 6198 WT0 4151 TIP3 H1 HT 0.417000 1.0080 0 + 6199 WT0 4151 TIP3 H2 HT 0.417000 1.0080 0 + 6200 WT0 4152 TIP3 OH2 OT -0.834000 15.9994 0 + 6201 WT0 4152 TIP3 H1 HT 0.417000 1.0080 0 + 6202 WT0 4152 TIP3 H2 HT 0.417000 1.0080 0 + 6203 WT0 4157 TIP3 OH2 OT 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6464 WT0 4311 TIP3 OH2 OT -0.834000 15.9994 0 + 6465 WT0 4311 TIP3 H1 HT 0.417000 1.0080 0 + 6466 WT0 4311 TIP3 H2 HT 0.417000 1.0080 0 + 6467 WT0 4313 TIP3 OH2 OT -0.834000 15.9994 0 + 6468 WT0 4313 TIP3 H1 HT 0.417000 1.0080 0 + 6469 WT0 4313 TIP3 H2 HT 0.417000 1.0080 0 + 6470 WT0 4319 TIP3 OH2 OT -0.834000 15.9994 0 + 6471 WT0 4319 TIP3 H1 HT 0.417000 1.0080 0 + 6472 WT0 4319 TIP3 H2 HT 0.417000 1.0080 0 + 6473 WT0 4321 TIP3 OH2 OT -0.834000 15.9994 0 + 6474 WT0 4321 TIP3 H1 HT 0.417000 1.0080 0 + 6475 WT0 4321 TIP3 H2 HT 0.417000 1.0080 0 + 6476 WT0 4328 TIP3 OH2 OT -0.834000 15.9994 0 + 6477 WT0 4328 TIP3 H1 HT 0.417000 1.0080 0 + 6478 WT0 4328 TIP3 H2 HT 0.417000 1.0080 0 + 6479 WT0 4336 TIP3 OH2 OT -0.834000 15.9994 0 + 6480 WT0 4336 TIP3 H1 HT 0.417000 1.0080 0 + 6481 WT0 4336 TIP3 H2 HT 0.417000 1.0080 0 + 6482 WT0 4337 TIP3 OH2 OT -0.834000 15.9994 0 + 6483 WT0 4337 TIP3 H1 HT 0.417000 1.0080 0 + 6484 WT0 4337 TIP3 H2 HT 0.417000 1.0080 0 + 6485 WT0 4339 TIP3 OH2 OT 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4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 + 6664 WT0 4508 TIP3 H2 HT 0.417000 1.0080 0 + 6665 WT0 4509 TIP3 OH2 OT -0.834000 15.9994 0 + 6666 WT0 4509 TIP3 H1 HT 0.417000 1.0080 0 + 6667 WT0 4509 TIP3 H2 HT 0.417000 1.0080 0 + 6668 WT0 4513 TIP3 OH2 OT -0.834000 15.9994 0 + 6669 WT0 4513 TIP3 H1 HT 0.417000 1.0080 0 + 6670 WT0 4513 TIP3 H2 HT 0.417000 1.0080 0 + 6671 WT0 4515 TIP3 OH2 OT -0.834000 15.9994 0 + 6672 WT0 4515 TIP3 H1 HT 0.417000 1.0080 0 + 6673 WT0 4515 TIP3 H2 HT 0.417000 1.0080 0 + 6674 WT0 4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 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6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 + 6754 WT0 4550 TIP3 H2 HT 0.417000 1.0080 0 + 6755 WT0 4551 TIP3 OH2 OT -0.834000 15.9994 0 + 6756 WT0 4551 TIP3 H1 HT 0.417000 1.0080 0 + 6757 WT0 4551 TIP3 H2 HT 0.417000 1.0080 0 + 6758 WT0 4553 TIP3 OH2 OT -0.834000 15.9994 0 + 6759 WT0 4553 TIP3 H1 HT 0.417000 1.0080 0 + 6760 WT0 4553 TIP3 H2 HT 0.417000 1.0080 0 + 6761 WT0 4558 TIP3 OH2 OT -0.834000 15.9994 0 + 6762 WT0 4558 TIP3 H1 HT 0.417000 1.0080 0 + 6763 WT0 4558 TIP3 H2 HT 0.417000 1.0080 0 + 6764 WT0 4559 TIP3 OH2 OT -0.834000 15.9994 0 + 6765 WT0 4559 TIP3 H1 HT 0.417000 1.0080 0 + 6766 WT0 4559 TIP3 H2 HT 0.417000 1.0080 0 + 6767 WT0 4560 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 6855 WT0 4611 TIP3 H1 HT 0.417000 1.0080 0 + 6856 WT0 4611 TIP3 H2 HT 0.417000 1.0080 0 + 6857 WT0 4612 TIP3 OH2 OT -0.834000 15.9994 0 + 6858 WT0 4612 TIP3 H1 HT 0.417000 1.0080 0 + 6859 WT0 4612 TIP3 H2 HT 0.417000 1.0080 0 + 6860 WT0 4613 TIP3 OH2 OT -0.834000 15.9994 0 + 6861 WT0 4613 TIP3 H1 HT 0.417000 1.0080 0 + 6862 WT0 4613 TIP3 H2 HT 0.417000 1.0080 0 + 6863 WT0 4614 TIP3 OH2 OT -0.834000 15.9994 0 + 6864 WT0 4614 TIP3 H1 HT 0.417000 1.0080 0 + 6865 WT0 4614 TIP3 H2 HT 0.417000 1.0080 0 + 6866 WT0 4615 TIP3 OH2 OT -0.834000 15.9994 0 + 6867 WT0 4615 TIP3 H1 HT 0.417000 1.0080 0 + 6868 WT0 4615 TIP3 H2 HT 0.417000 1.0080 0 + 6869 WT0 4617 TIP3 OH2 OT -0.834000 15.9994 0 + 6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT -0.834000 15.9994 0 + 7608 WT0 5137 TIP3 H1 HT 0.417000 1.0080 0 + 7609 WT0 5137 TIP3 H2 HT 0.417000 1.0080 0 + 7610 WT0 5138 TIP3 OH2 OT -0.834000 15.9994 0 + 7611 WT0 5138 TIP3 H1 HT 0.417000 1.0080 0 + 7612 WT0 5138 TIP3 H2 HT 0.417000 1.0080 0 + 7613 WT0 5140 TIP3 OH2 OT -0.834000 15.9994 0 + 7614 WT0 5140 TIP3 H1 HT 0.417000 1.0080 0 + 7615 WT0 5140 TIP3 H2 HT 0.417000 1.0080 0 + 7616 WT0 5146 TIP3 OH2 OT -0.834000 15.9994 0 + 7617 WT0 5146 TIP3 H1 HT 0.417000 1.0080 0 + 7618 WT0 5146 TIP3 H2 HT 0.417000 1.0080 0 + 7619 WT0 5149 TIP3 OH2 OT -0.834000 15.9994 0 + 7620 WT0 5149 TIP3 H1 HT 0.417000 1.0080 0 + 7621 WT0 5149 TIP3 H2 HT 0.417000 1.0080 0 + 7622 WT0 5151 TIP3 OH2 OT -0.834000 15.9994 0 + 7623 WT0 5151 TIP3 H1 HT 0.417000 1.0080 0 + 7624 WT0 5151 TIP3 H2 HT 0.417000 1.0080 0 + 7625 WT0 5152 TIP3 OH2 OT -0.834000 15.9994 0 + 7626 WT0 5152 TIP3 H1 HT 0.417000 1.0080 0 + 7627 WT0 5152 TIP3 H2 HT 0.417000 1.0080 0 + 7628 WT0 5153 TIP3 OH2 OT -0.834000 15.9994 0 + 7629 WT0 5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 + 7651 WT0 5164 TIP3 H2 HT 0.417000 1.0080 0 + 7652 WT0 5165 TIP3 OH2 OT -0.834000 15.9994 0 + 7653 WT0 5165 TIP3 H1 HT 0.417000 1.0080 0 + 7654 WT0 5165 TIP3 H2 HT 0.417000 1.0080 0 + 7655 WT0 5166 TIP3 OH2 OT -0.834000 15.9994 0 + 7656 WT0 5166 TIP3 H1 HT 0.417000 1.0080 0 + 7657 WT0 5166 TIP3 H2 HT 0.417000 1.0080 0 + 7658 WT0 5173 TIP3 OH2 OT -0.834000 15.9994 0 + 7659 WT0 5173 TIP3 H1 HT 0.417000 1.0080 0 + 7660 WT0 5173 TIP3 H2 HT 0.417000 1.0080 0 + 7661 WT0 5176 TIP3 OH2 OT -0.834000 15.9994 0 + 7662 WT0 5176 TIP3 H1 HT 0.417000 1.0080 0 + 7663 WT0 5176 TIP3 H2 HT 0.417000 1.0080 0 + 7664 WT0 5181 TIP3 OH2 OT -0.834000 15.9994 0 + 7665 WT0 5181 TIP3 H1 HT 0.417000 1.0080 0 + 7666 WT0 5181 TIP3 H2 HT 0.417000 1.0080 0 + 7667 WT0 5182 TIP3 OH2 OT -0.834000 15.9994 0 + 7668 WT0 5182 TIP3 H1 HT 0.417000 1.0080 0 + 7669 WT0 5182 TIP3 H2 HT 0.417000 1.0080 0 + 7670 WT0 5190 TIP3 OH2 OT -0.834000 15.9994 0 + 7671 WT0 5190 TIP3 H1 HT 0.417000 1.0080 0 + 7672 WT0 5190 TIP3 H2 HT 0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 + 8497 WT0 5891 TIP3 H2 HT 0.417000 1.0080 0 + 8498 WT0 5894 TIP3 OH2 OT -0.834000 15.9994 0 + 8499 WT0 5894 TIP3 H1 HT 0.417000 1.0080 0 + 8500 WT0 5894 TIP3 H2 HT 0.417000 1.0080 0 + 8501 WT0 5895 TIP3 OH2 OT -0.834000 15.9994 0 + 8502 WT0 5895 TIP3 H1 HT 0.417000 1.0080 0 + 8503 WT0 5895 TIP3 H2 HT 0.417000 1.0080 0 + 8504 WT0 5897 TIP3 OH2 OT -0.834000 15.9994 0 + 8505 WT0 5897 TIP3 H1 HT 0.417000 1.0080 0 + 8506 WT0 5897 TIP3 H2 HT 0.417000 1.0080 0 + 8507 WT0 5899 TIP3 OH2 OT -0.834000 15.9994 0 + 8508 WT0 5899 TIP3 H1 HT 0.417000 1.0080 0 + 8509 WT0 5899 TIP3 H2 HT 0.417000 1.0080 0 + 8510 WT0 5901 TIP3 OH2 OT -0.834000 15.9994 0 + 8511 WT0 5901 TIP3 H1 HT 0.417000 1.0080 0 + 8512 WT0 5901 TIP3 H2 HT 0.417000 1.0080 0 + 8513 WT0 5903 TIP3 OH2 OT -0.834000 15.9994 0 + 8514 WT0 5903 TIP3 H1 HT 0.417000 1.0080 0 + 8515 WT0 5903 TIP3 H2 HT 0.417000 1.0080 0 + 8516 WT0 5904 TIP3 OH2 OT -0.834000 15.9994 0 + 8517 WT0 5904 TIP3 H1 HT 0.417000 1.0080 0 + 8518 WT0 5904 TIP3 H2 HT 0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT -0.834000 15.9994 0 + 8736 WT0 6057 TIP3 H1 HT 0.417000 1.0080 0 + 8737 WT0 6057 TIP3 H2 HT 0.417000 1.0080 0 + 8738 WT0 6060 TIP3 OH2 OT -0.834000 15.9994 0 + 8739 WT0 6060 TIP3 H1 HT 0.417000 1.0080 0 + 8740 WT0 6060 TIP3 H2 HT 0.417000 1.0080 0 + 8741 WT0 6061 TIP3 OH2 OT -0.834000 15.9994 0 + 8742 WT0 6061 TIP3 H1 HT 0.417000 1.0080 0 + 8743 WT0 6061 TIP3 H2 HT 0.417000 1.0080 0 + 8744 WT0 6068 TIP3 OH2 OT -0.834000 15.9994 0 + 8745 WT0 6068 TIP3 H1 HT 0.417000 1.0080 0 + 8746 WT0 6068 TIP3 H2 HT 0.417000 1.0080 0 + 8747 WT0 6080 TIP3 OH2 OT -0.834000 15.9994 0 + 8748 WT0 6080 TIP3 H1 HT 0.417000 1.0080 0 + 8749 WT0 6080 TIP3 H2 HT 0.417000 1.0080 0 + 8750 WT0 6082 TIP3 OH2 OT -0.834000 15.9994 0 + 8751 WT0 6082 TIP3 H1 HT 0.417000 1.0080 0 + 8752 WT0 6082 TIP3 H2 HT 0.417000 1.0080 0 + 8753 WT0 6090 TIP3 OH2 OT -0.834000 15.9994 0 + 8754 WT0 6090 TIP3 H1 HT 0.417000 1.0080 0 + 8755 WT0 6090 TIP3 H2 HT 0.417000 1.0080 0 + 8756 WT0 6091 TIP3 OH2 OT -0.834000 15.9994 0 + 8757 WT0 6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 + 8779 WT0 6124 TIP3 H2 HT 0.417000 1.0080 0 + 8780 WT0 6129 TIP3 OH2 OT -0.834000 15.9994 0 + 8781 WT0 6129 TIP3 H1 HT 0.417000 1.0080 0 + 8782 WT0 6129 TIP3 H2 HT 0.417000 1.0080 0 + 8783 WT0 6136 TIP3 OH2 OT -0.834000 15.9994 0 + 8784 WT0 6136 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 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6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT -0.834000 15.9994 0 + 8988 WT0 6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT 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6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT -0.834000 15.9994 0 + 9159 WT0 6404 TIP3 H1 HT 0.417000 1.0080 0 + 9160 WT0 6404 TIP3 H2 HT 0.417000 1.0080 0 + 9161 WT0 6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT -0.834000 15.9994 0 + 9300 WT0 6545 TIP3 H1 HT 0.417000 1.0080 0 + 9301 WT0 6545 TIP3 H2 HT 0.417000 1.0080 0 + 9302 WT0 6547 TIP3 OH2 OT -0.834000 15.9994 0 + 9303 WT0 6547 TIP3 H1 HT 0.417000 1.0080 0 + 9304 WT0 6547 TIP3 H2 HT 0.417000 1.0080 0 + 9305 WT0 6551 TIP3 OH2 OT -0.834000 15.9994 0 + 9306 WT0 6551 TIP3 H1 HT 0.417000 1.0080 0 + 9307 WT0 6551 TIP3 H2 HT 0.417000 1.0080 0 + 9308 WT0 6554 TIP3 OH2 OT -0.834000 15.9994 0 + 9309 WT0 6554 TIP3 H1 HT 0.417000 1.0080 0 + 9310 WT0 6554 TIP3 H2 HT 0.417000 1.0080 0 + 9311 WT0 6555 TIP3 OH2 OT -0.834000 15.9994 0 + 9312 WT0 6555 TIP3 H1 HT 0.417000 1.0080 0 + 9313 WT0 6555 TIP3 H2 HT 0.417000 1.0080 0 + 9314 WT0 6560 TIP3 OH2 OT -0.834000 15.9994 0 + 9315 WT0 6560 TIP3 H1 HT 0.417000 1.0080 0 + 9316 WT0 6560 TIP3 H2 HT 0.417000 1.0080 0 + 9317 WT0 6561 TIP3 OH2 OT -0.834000 15.9994 0 + 9318 WT0 6561 TIP3 H1 HT 0.417000 1.0080 0 + 9319 WT0 6561 TIP3 H2 HT 0.417000 1.0080 0 + 9320 WT0 6564 TIP3 OH2 OT -0.834000 15.9994 0 + 9321 WT0 6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 + 9343 WT0 6602 TIP3 H2 HT 0.417000 1.0080 0 + 9344 WT0 6604 TIP3 OH2 OT -0.834000 15.9994 0 + 9345 WT0 6604 TIP3 H1 HT 0.417000 1.0080 0 + 9346 WT0 6604 TIP3 H2 HT 0.417000 1.0080 0 + 9347 WT0 6614 TIP3 OH2 OT -0.834000 15.9994 0 + 9348 WT0 6614 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 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b/adaptivemd/input/e1s3_ntl9_1ns_2/jobqueues.done new file mode 100644 index 0000000..e69de29 diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/log.txt b/adaptivemd/input/e1s3_ntl9_1ns_2/log.txt new file mode 100644 index 0000000..4d89990 --- /dev/null +++ b/adaptivemd/input/e1s3_ntl9_1ns_2/log.txt @@ -0,0 +1,230 @@ +WARNING: "acemd3" is depricated and will be removed in a future release! Use "acemd" instead +# +# ACEMD version 3.7.2 +# +# Copyright (C) 2017-2023 Acellera (www.acellera.com) +# +# By using ACEMD, you accept the terms and conditions of the ACEMD licence +# Check the licence by running "acemd --licence" +# More details: https://software.acellera.com/acemd/licence.html +# +# When publishing, please cite: +# ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale +# M. J. Harvey, G. Giupponi and G. De Fabritiis, +# J Chem. Theory. Comput. 2009 5(6), pp1632-1639 +# DOI: 10.1021/ct9000685 +# +# Arguments: +# input: input +# platform: +# device: +# ncpus: +# precision: mixed +# +# Licence: +# Product: ACEMD 3.0 +# Check floating licence: +# ACELLERA_LICENCE_SERVER -- not defined +# ACELLERA_LICENSE_SERVER -- not defined +# Check node-locked licence: +# ACELLERA_LICENCE_FILE -- not defined +# ACELLERA_LICENSE_FILE -- not defined +# /opt/acellera/licence.dat -- DENIED (Unable to locate target file) +# /opt/acellera/license.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/licence.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/license.dat -- DENIED (Unable to locate target file) +# +# WARNING: This ACEMD version expires in 27 days! +# +# Initialize Python +# Version: 3.10.13 +# Internal modules: /home/sdoerr/miniforge3/envs/htmd/lib/acemd/python +# +# Parse input +# File name: input +# Format: old +# WARNING: Deprecated keyword "thermostattemp" is replaced with "thermostattemperature" +# WARNING: Deprecated keyword "switchdist" is replaced with "switchdistance" +# +# Parse force field and topology files +# Force field: CHARMM +# PRM file: parameters +# PSF file: structure.psf +# WARNING: No NBFIX parameters exist for atom type ocl! +# WARNING: No NBFIX parameters exist for atom type obl! +# WARNING: No NBFIX parameters exist for atom type o2l! +# WARNING: No NBFIX parameters exist for atom type oc2d2! +# WARNING: No NBFIX parameters exist for atom type oc2dp! +# WARNING: No NBFIX parameters exist for atom type og2d2! +# WARNING: No NBFIX parameters exist for atom type og2p1! +# +# Force field parameters +# Number of atom parameters: 107 +# Number of bond parameters: 154 +# Number of angle parameters: 378 +# Number of dihedral parameters: 505 +# Number of improper parameters: 49 +# Number of CMAP parameters: 6 +# +# System topology +# Number of atoms: 11340 +# Number of bonds: 7762 +# Number of angles: 4719 +# Number of dihedrals: 1657 +# Number of impropers: 100 +# Number of CMAPs: 5 +# +# Initializing engine +# Version: 7.7 +# Plugin directory: /home/sdoerr/miniforge3/envs/htmd/lib/acemd +# Loaded plugins +# CPU +# PME +# CUDA +# CudaCompiler +# OpenCL +# PlumedCUDA +# PlumedOpenCL +# PlumedReference +# Available platforms +# CPU +# CUDA +# OpenCL +# +# Bonded interactions +# Harmonic bond interactions +# Number of terms: 7762 +# Harmonic angle interactions +# Number of terms: 4719 +# Urey-Bradley interactions +# Number of terms: 593 +# Number of skipped terms (zero force constant): 4126 +# Proper dihedral interations +# Number of terms: 1760 +# Number of skipped terms (zero force constants): 366 +# Improper dihedral interations +# Number of terms: 100 +# CMAP interactions +# Number of terms: 5 +# +# Non-bonded interactions +# Number of exclusions: 14126 +# Lennard-Jones terms +# Cutoff distance: 9.000 A +# Switching distance: 7.500 A +# Coulombic (PME) term +# Ewald tolerance: 0.000500 +# Using NBFIX +# No implicit solvent +# +# Constraining hydrogen (X-H) bonds +# Number of constrained bonds: 7454 +# Making water molecules rigid +# Number of water molecules: 3564 +# Number of constraints: 11018 +# +# Repartitioning hydrogen atom mass +# New hydrogen mass: 4.032 au +# Number of hydrogen atoms: 7454 +# +# Reading box sizes from input.xsc +# +# Creating simulation system +# Number of particles: 11340 +# Number of degrees of freedom 22999 +# Periodic box size: 50.489 50.491 50.416 A +# +# Integrator +# Type: velocity Verlet +# Step size: 4.00 fs +# Constraint tolerance: 1.0e-06 +# +# Thermostat +# Type: Langevin +# Target temperature: 350.00 K +# Friction coefficient: 0.10 ps^-1 +# +# Setting up platform: CUDA +# Interactions: 1 2 3 4 5 6 7 7 12 +# Platform properties: +# DeviceIndex: 0 +# DeviceName: NVIDIA GeForce RTX 4050 Laptop GPU +# UseBlockingSync: false +# Precision: mixed +# UseCpuPme: false +# CudaCompiler: /usr/local/cuda/bin/nvcc +# TempDirectory: /tmp +# CudaHostCompiler: +# DisablePmeStream: false +# DeterministicForces: false +# +# Set initial positions from an input file +# +# Simulation restart +# Restat file: restart.chk +# WARNING: the restart file does not exist! +# WARNING: Unable to restart! Continuing with the initial positions, velocities, simulation box size +# +# Initial velocities +# Distribution: Maxwell-Boltzmann +# Temperature: 350.00 K +# +# Optimize platform for MD +# Number of constraints: 11018 +# Harmonic bond interations +# Initial number of terms: 7762 +# Optimized number of terms: 308 +# Remaining interactions: 2 3 4 5 6 7 7 12 1 +# +# Running simulation +# Current step: 0 +# Number of steps: 250000 +# +# Trajectory output +# Positions: output.xtc +# Period: 25000 +# Wrapping: off +# +# Log, trajectory, and restart files are written every 100.000 ps (25000 steps) +# Step Time Bond Angle Urey-Bradley Dihedral Improper CMAP Non-bonded Implicit External Potential Kinetic Total Temperature Volume +# [ps] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [K] [A^3] + 25000 100.00 135.3536 331.4545 46.5837 73.7519 22.4584 -23.7338 -34458.1687 0.0000 0.0000 -33872.3004 8124.6584 -25747.6420 355.538 128522.41 +# Speed: average 636.67 ns/day, current 636.67 ns/day +# Progress: 10.0, remaining time: 0:02:02, ETA: Tue Jun 11 16:39:47 2024 + 50000 200.00 139.1265 347.5132 49.0287 57.3884 30.9628 -26.6459 -34179.0862 0.0000 0.0000 -33581.7124 7956.7347 -25624.9778 348.190 128522.41 +# Speed: average 637.09 ns/day, current 637.52 ns/day +# Progress: 20.0, remaining time: 0:01:48, ETA: Tue Jun 11 16:39:47 2024 + 75000 300.00 143.3137 374.9833 53.5625 52.5644 21.2623 -21.1689 -34420.5699 0.0000 0.0000 -33796.0526 7825.5636 -25970.4890 342.450 128522.41 +# Speed: average 637.25 ns/day, current 637.55 ns/day +# Progress: 30.0, remaining time: 0:01:34, ETA: Tue Jun 11 16:39:47 2024 + 100000 400.00 137.6376 368.7829 47.5595 56.8646 25.8721 -26.4012 -34194.3204 0.0000 0.0000 -33584.0048 7881.1147 -25702.8901 344.881 128522.41 +# Speed: average 637.63 ns/day, current 638.81 ns/day +# Progress: 40.0, remaining time: 0:01:21, ETA: Tue Jun 11 16:39:46 2024 + 125000 500.00 135.7611 342.9547 49.3582 61.6210 23.6586 -24.3878 -34278.8140 0.0000 0.0000 -33689.8482 7962.9671 -25726.8811 348.463 128522.41 +# Speed: average 637.60 ns/day, current 637.48 ns/day +# Progress: 50.0, remaining time: 0:01:07, ETA: Tue Jun 11 16:39:46 2024 + 150000 600.00 139.1435 362.3667 49.7545 47.6470 15.2903 -18.8188 -34439.6355 0.0000 0.0000 -33844.2523 7913.2789 -25930.9734 346.288 128522.41 +# Speed: average 637.62 ns/day, current 637.71 ns/day +# Progress: 60.0, remaining time: 0:00:54, ETA: Tue Jun 11 16:39:46 2024 + 175000 700.00 132.2504 359.4944 49.3511 68.0902 29.4456 -20.0096 -34342.5839 0.0000 0.0000 -33723.9618 7959.1388 -25764.8230 348.295 128522.41 +# Speed: average 637.25 ns/day, current 635.02 ns/day +# Progress: 70.0, remaining time: 0:00:40, ETA: Tue Jun 11 16:39:47 2024 + 200000 800.00 149.9833 373.0997 50.2925 56.6886 26.2167 -20.5969 -34408.5347 0.0000 0.0000 -33772.8508 8111.3756 -25661.4752 354.957 128522.41 +# Speed: average 636.91 ns/day, current 634.52 ns/day +# Progress: 80.0, remaining time: 0:00:27, ETA: Tue Jun 11 16:39:47 2024 + 225000 900.00 154.1733 344.9260 52.9692 52.0226 22.5471 -22.2782 -34360.0594 0.0000 0.0000 -33755.6994 7870.8442 -25884.8553 344.431 128522.41 +# Speed: average 636.50 ns/day, current 633.28 ns/day +# Progress: 90.0, remaining time: 0:00:13, ETA: Tue Jun 11 16:39:47 2024 + 250000 1000.00 150.0194 341.4718 43.6607 69.4688 29.5263 -24.4942 -34290.7921 0.0000 0.0000 -33681.1393 7912.5239 -25768.6154 346.255 128522.41 +# Speed: average 636.24 ns/day, current 633.95 ns/day +# Progress: 100.0, remaining time: 0:00:00, ETA: Tue Jun 11 16:39:47 2024 +# Writing final coordinates to "output.coor" +# Writing final velocities to "output.vel" +# Writing final simulation box to "output.xsc" +# +# Simulation completed! +# +# WARNING: ACEMD was simulating with a non-commercial licence! +# For commercial use, a commercial licence is required. +# More details: https://software.acellera.com/acemd +# diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/output.coor b/adaptivemd/input/e1s3_ntl9_1ns_2/output.coor new file mode 100644 index 0000000..b9a0971 Binary files /dev/null and b/adaptivemd/input/e1s3_ntl9_1ns_2/output.coor differ diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/output.vel b/adaptivemd/input/e1s3_ntl9_1ns_2/output.vel new file mode 100644 index 0000000..ea14fef Binary files /dev/null and b/adaptivemd/input/e1s3_ntl9_1ns_2/output.vel differ diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/output.xsc b/adaptivemd/input/e1s3_ntl9_1ns_2/output.xsc new file mode 100644 index 0000000..aff6362 --- /dev/null +++ b/adaptivemd/input/e1s3_ntl9_1ns_2/output.xsc @@ -0,0 +1,2 @@ +# XSC File generated by ACEMD +250000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/parameters b/adaptivemd/input/e1s3_ntl9_1ns_2/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/input/e1s3_ntl9_1ns_2/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/restart.chk b/adaptivemd/input/e1s3_ntl9_1ns_2/restart.chk new file mode 100644 index 0000000..4d3e83f Binary files /dev/null and b/adaptivemd/input/e1s3_ntl9_1ns_2/restart.chk differ diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/restart.chk.bkp b/adaptivemd/input/e1s3_ntl9_1ns_2/restart.chk.bkp new file mode 100644 index 0000000..c120599 Binary files /dev/null and b/adaptivemd/input/e1s3_ntl9_1ns_2/restart.chk.bkp differ diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/run.sh b/adaptivemd/input/e1s3_ntl9_1ns_2/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/input/e1s3_ntl9_1ns_2/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/structure.pdb b/adaptivemd/input/e1s3_ntl9_1ns_2/structure.pdb new file mode 100644 index 0000000..66e1bdc --- /dev/null +++ b/adaptivemd/input/e1s3_ntl9_1ns_2/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 -2.983 -36.378 4.490 0.00 0.00 P C +ATOM 2 HY1 MET 1 -2.923 -36.998 3.570 0.00 0.00 P H +ATOM 3 HY2 MET 1 -2.913 -37.158 5.270 0.00 0.00 P H +ATOM 4 HY3 MET 1 -2.103 -35.708 4.600 0.00 0.00 P H +ATOM 5 CY MET 1 -4.313 -35.688 4.620 0.00 0.00 P C +ATOM 6 OY MET 1 -5.433 -36.278 4.450 0.00 0.00 P O +ATOM 7 N MET 1 -4.223 -34.298 4.830 0.00 0.00 P N +ATOM 8 HN MET 1 -3.363 -33.858 5.040 0.00 0.00 P H +ATOM 9 CA MET 1 -5.443 -33.518 4.770 0.00 0.00 P C +ATOM 10 HA MET 1 -6.143 -33.628 5.590 0.00 0.00 P H +ATOM 11 CB MET 1 -5.063 -32.058 5.150 0.00 0.00 P C +ATOM 12 HB1 MET 1 -4.023 -32.018 4.760 0.00 0.00 P H +ATOM 13 HB2 MET 1 -5.583 -31.258 4.570 0.00 0.00 P H +ATOM 14 CG MET 1 -4.763 -31.698 6.560 0.00 0.00 P C +ATOM 15 HG1 MET 1 -3.953 -32.338 6.980 0.00 0.00 P H +ATOM 16 HG2 MET 1 -4.473 -30.618 6.500 0.00 0.00 P H +ATOM 17 SD MET 1 -6.353 -31.708 7.390 0.00 0.00 P S +ATOM 18 CE MET 1 -5.803 -31.518 9.040 0.00 0.00 P C +ATOM 19 HE1 MET 1 -4.903 -30.888 9.230 0.00 0.00 P H +ATOM 20 HE2 MET 1 -6.553 -31.068 9.720 0.00 0.00 P H +ATOM 21 HE3 MET 1 -5.493 -32.488 9.480 0.00 0.00 P H +ATOM 22 C MET 1 -6.413 -33.538 3.640 0.00 0.00 P C +ATOM 23 O MET 1 -6.223 -33.208 2.510 0.00 0.00 P O +ATOM 24 N LYS 2 -7.623 -33.938 3.990 0.00 0.00 P N +ATOM 25 HN LYS 2 -7.723 -34.478 4.820 0.00 0.00 P H +ATOM 26 CA LYS 2 -8.753 -34.048 3.040 0.00 0.00 P C +ATOM 27 HA LYS 2 -8.403 -34.308 2.050 0.00 0.00 P H +ATOM 28 CB LYS 2 -9.643 -35.318 3.440 0.00 0.00 P C +ATOM 29 HB1 LYS 2 -9.853 -35.138 4.510 0.00 0.00 P H +ATOM 30 HB2 LYS 2 -10.653 -35.508 2.990 0.00 0.00 P H +ATOM 31 CG LYS 2 -8.783 -36.558 3.220 0.00 0.00 P C +ATOM 32 HG1 LYS 2 -8.373 -36.588 2.190 0.00 0.00 P H +ATOM 33 HG2 LYS 2 -8.003 -36.808 3.970 0.00 0.00 P H +ATOM 34 CD LYS 2 -9.573 -37.858 3.240 0.00 0.00 P C +ATOM 35 HD1 LYS 2 -10.183 -37.728 4.160 0.00 0.00 P H +ATOM 36 HD2 LYS 2 -10.323 -37.848 2.420 0.00 0.00 P H +ATOM 37 CE LYS 2 -8.713 -39.118 3.180 0.00 0.00 P C +ATOM 38 HE1 LYS 2 -8.393 -39.188 2.120 0.00 0.00 P H +ATOM 39 HE2 LYS 2 -7.973 -38.928 3.990 0.00 0.00 P H +ATOM 40 NZ LYS 2 -9.403 -40.328 3.590 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 -10.303 -40.358 3.060 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 -8.833 -41.108 3.210 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 -9.533 -40.428 4.610 0.00 0.00 P H +ATOM 44 C LYS 2 -9.533 -32.738 2.940 0.00 0.00 P C +ATOM 45 O LYS 2 -10.303 -32.488 2.090 0.00 0.00 P O +ATOM 46 N VAL 3 -9.343 -31.778 3.950 0.00 0.00 P N +ATOM 47 HN VAL 3 -8.803 -32.048 4.730 0.00 0.00 P H +ATOM 48 CA VAL 3 -10.433 -30.998 4.360 0.00 0.00 P C +ATOM 49 HA VAL 3 -11.403 -31.278 3.970 0.00 0.00 P H +ATOM 50 CB VAL 3 -10.873 -31.108 5.790 0.00 0.00 P C +ATOM 51 HB VAL 3 -11.863 -30.648 5.950 0.00 0.00 P H +ATOM 52 CG1 VAL 3 -10.933 -32.558 6.320 0.00 0.00 P C +ATOM 53 HG11 VAL 3 -11.113 -32.688 7.400 0.00 0.00 P H +ATOM 54 HG12 VAL 3 -11.733 -33.158 5.840 0.00 0.00 P H +ATOM 55 HG13 VAL 3 -10.073 -33.198 6.030 0.00 0.00 P H +ATOM 56 CG2 VAL 3 -9.753 -30.408 6.630 0.00 0.00 P C +ATOM 57 HG21 VAL 3 -9.763 -30.828 7.660 0.00 0.00 P H +ATOM 58 HG22 VAL 3 -8.833 -30.808 6.150 0.00 0.00 P H +ATOM 59 HG23 VAL 3 -9.793 -29.298 6.590 0.00 0.00 P H +ATOM 60 C VAL 3 -10.303 -29.548 4.010 0.00 0.00 P C +ATOM 61 O VAL 3 -10.813 -28.628 4.660 0.00 0.00 P O +ATOM 62 N ILE 4 -9.563 -29.148 2.980 0.00 0.00 P N +ATOM 63 HN ILE 4 -9.183 -29.858 2.390 0.00 0.00 P H +ATOM 64 CA ILE 4 -9.053 -27.858 2.830 0.00 0.00 P C +ATOM 65 HA ILE 4 -9.083 -27.358 3.790 0.00 0.00 P H +ATOM 66 CB ILE 4 -7.633 -27.868 2.350 0.00 0.00 P C +ATOM 67 HB ILE 4 -7.593 -28.108 1.260 0.00 0.00 P H +ATOM 68 CG2 ILE 4 -7.023 -26.568 2.530 0.00 0.00 P C +ATOM 69 HG21 ILE 4 -5.983 -26.488 2.140 0.00 0.00 P H +ATOM 70 HG22 ILE 4 -7.533 -25.808 1.910 0.00 0.00 P H +ATOM 71 HG23 ILE 4 -6.943 -26.278 3.600 0.00 0.00 P H +ATOM 72 CG1 ILE 4 -6.833 -28.878 3.260 0.00 0.00 P C +ATOM 73 HG11 ILE 4 -7.193 -29.888 2.970 0.00 0.00 P H +ATOM 74 HG12 ILE 4 -5.763 -28.898 2.970 0.00 0.00 P H +ATOM 75 CD ILE 4 -6.903 -28.708 4.720 0.00 0.00 P C +ATOM 76 HD1 ILE 4 -7.903 -28.618 5.190 0.00 0.00 P H +ATOM 77 HD2 ILE 4 -6.353 -29.538 5.210 0.00 0.00 P H +ATOM 78 HD3 ILE 4 -6.303 -27.778 4.840 0.00 0.00 P H +ATOM 79 C ILE 4 -9.863 -27.038 1.870 0.00 0.00 P C +ATOM 80 O ILE 4 -10.033 -27.488 0.760 0.00 0.00 P O +ATOM 81 N PHE 5 -10.443 -25.868 2.260 0.00 0.00 P N +ATOM 82 HN PHE 5 -10.283 -25.548 3.190 0.00 0.00 P H +ATOM 83 CA PHE 5 -11.343 -25.098 1.470 0.00 0.00 P C +ATOM 84 HA PHE 5 -12.113 -25.688 1.010 0.00 0.00 P H +ATOM 85 CB PHE 5 -12.213 -24.218 2.470 0.00 0.00 P C +ATOM 86 HB1 PHE 5 -12.673 -24.898 3.220 0.00 0.00 P H +ATOM 87 HB2 PHE 5 -11.403 -23.758 3.080 0.00 0.00 P H +ATOM 88 CG PHE 5 -13.183 -23.328 1.830 0.00 0.00 P C +ATOM 89 CD1 PHE 5 -12.923 -22.018 1.670 0.00 0.00 P C +ATOM 90 HD1 PHE 5 -11.983 -21.598 2.000 0.00 0.00 P H +ATOM 91 CE1 PHE 5 -13.793 -21.098 0.940 0.00 0.00 P C +ATOM 92 HE1 PHE 5 -13.563 -20.078 0.690 0.00 0.00 P H +ATOM 93 CZ PHE 5 -15.023 -21.628 0.530 0.00 0.00 P C +ATOM 94 HZ PHE 5 -15.683 -21.038 -0.080 0.00 0.00 P H +ATOM 95 CD2 PHE 5 -14.553 -23.768 1.570 0.00 0.00 P C +ATOM 96 HD2 PHE 5 -14.853 -24.778 1.810 0.00 0.00 P H +ATOM 97 CE2 PHE 5 -15.443 -22.938 0.880 0.00 0.00 P C +ATOM 98 HE2 PHE 5 -16.433 -23.128 0.490 0.00 0.00 P H +ATOM 99 C PHE 5 -10.563 -24.238 0.460 0.00 0.00 P C +ATOM 100 O PHE 5 -10.993 -23.908 -0.590 0.00 0.00 P O +ATOM 101 N LEU 6 -9.343 -23.928 0.870 0.00 0.00 P N +ATOM 102 HN LEU 6 -8.903 -24.208 1.720 0.00 0.00 P H +ATOM 103 CA LEU 6 -8.543 -22.998 0.140 0.00 0.00 P C +ATOM 104 HA LEU 6 -8.433 -23.498 -0.810 0.00 0.00 P H +ATOM 105 CB LEU 6 -9.163 -21.548 -0.150 0.00 0.00 P C +ATOM 106 HB1 LEU 6 -10.213 -21.568 -0.490 0.00 0.00 P H +ATOM 107 HB2 LEU 6 -9.193 -21.048 0.840 0.00 0.00 P H +ATOM 108 CG LEU 6 -8.453 -20.648 -1.160 0.00 0.00 P C +ATOM 109 HG LEU 6 -8.133 -21.298 -1.990 0.00 0.00 P H +ATOM 110 CD1 LEU 6 -9.483 -19.658 -1.720 0.00 0.00 P C +ATOM 111 HD11 LEU 6 -8.873 -18.768 -2.000 0.00 0.00 P H +ATOM 112 HD12 LEU 6 -10.193 -20.048 -2.470 0.00 0.00 P H +ATOM 113 HD13 LEU 6 -10.133 -19.238 -0.930 0.00 0.00 P H +ATOM 114 CD2 LEU 6 -7.193 -19.808 -0.590 0.00 0.00 P C +ATOM 115 HD21 LEU 6 -6.453 -20.328 0.060 0.00 0.00 P H +ATOM 116 HD22 LEU 6 -6.543 -19.578 -1.470 0.00 0.00 P H +ATOM 117 HD23 LEU 6 -7.543 -18.878 -0.100 0.00 0.00 P H +ATOM 118 C LEU 6 -7.133 -22.918 0.670 0.00 0.00 P C +ATOM 119 O LEU 6 -6.923 -22.498 1.760 0.00 0.00 P O +ATOM 120 N LYS 7 -6.133 -23.218 -0.190 0.00 0.00 P N +ATOM 121 HN LYS 7 -6.443 -23.408 -1.110 0.00 0.00 P H +ATOM 122 CA LYS 7 -4.713 -23.488 0.130 0.00 0.00 P C +ATOM 123 HA LYS 7 -4.753 -24.418 0.670 0.00 0.00 P H +ATOM 124 CB LYS 7 -4.003 -23.678 -1.230 0.00 0.00 P C +ATOM 125 HB1 LYS 7 -3.003 -24.118 -1.040 0.00 0.00 P H +ATOM 126 HB2 LYS 7 -4.493 -24.608 -1.590 0.00 0.00 P H +ATOM 127 CG LYS 7 -3.963 -22.598 -2.240 0.00 0.00 P C +ATOM 128 HG1 LYS 7 -3.283 -22.998 -3.030 0.00 0.00 P H +ATOM 129 HG2 LYS 7 -4.933 -22.428 -2.750 0.00 0.00 P H +ATOM 130 CD LYS 7 -3.443 -21.138 -1.760 0.00 0.00 P C +ATOM 131 HD1 LYS 7 -4.413 -20.748 -1.390 0.00 0.00 P H +ATOM 132 HD2 LYS 7 -2.763 -21.008 -0.890 0.00 0.00 P H +ATOM 133 CE LYS 7 -2.763 -20.268 -2.870 0.00 0.00 P C +ATOM 134 HE1 LYS 7 -3.433 -20.248 -3.750 0.00 0.00 P H +ATOM 135 HE2 LYS 7 -2.633 -19.238 -2.470 0.00 0.00 P H +ATOM 136 NZ LYS 7 -1.443 -20.738 -3.290 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 -1.583 -21.438 -4.050 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 -0.943 -19.948 -3.750 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 -0.983 -21.098 -2.440 0.00 0.00 P H +ATOM 140 C LYS 7 -3.883 -22.588 1.100 0.00 0.00 P C +ATOM 141 O LYS 7 -4.253 -21.468 1.190 0.00 0.00 P O +ATOM 142 N ASP 8 -2.883 -23.078 1.790 0.00 0.00 P N +ATOM 143 HN ASP 8 -2.853 -24.068 1.920 0.00 0.00 P H +ATOM 144 CA ASP 8 -1.803 -22.328 2.390 0.00 0.00 P C +ATOM 145 HA ASP 8 -0.983 -23.028 2.500 0.00 0.00 P H +ATOM 146 CB ASP 8 -1.243 -21.108 1.640 0.00 0.00 P C +ATOM 147 HB1 ASP 8 -1.273 -21.578 0.630 0.00 0.00 P H +ATOM 148 HB2 ASP 8 -1.993 -20.288 1.620 0.00 0.00 P H +ATOM 149 CG ASP 8 0.097 -20.618 2.010 0.00 0.00 P C +ATOM 150 OD1 ASP 8 0.837 -21.318 2.820 0.00 0.00 P O +ATOM 151 OD2 ASP 8 0.467 -19.468 1.560 0.00 0.00 P O +ATOM 152 C ASP 8 -2.163 -21.788 3.830 0.00 0.00 P C +ATOM 153 O ASP 8 -3.313 -21.538 4.120 0.00 0.00 P O +ATOM 154 N VAL 9 -1.213 -21.638 4.800 0.00 0.00 P N +ATOM 155 HN VAL 9 -0.243 -21.628 4.570 0.00 0.00 P H +ATOM 156 CA VAL 9 -1.483 -21.038 6.130 0.00 0.00 P C +ATOM 157 HA VAL 9 -2.453 -21.308 6.510 0.00 0.00 P H +ATOM 158 CB VAL 9 -0.483 -21.618 7.170 0.00 0.00 P C +ATOM 159 HB VAL 9 -0.153 -21.038 8.050 0.00 0.00 P H +ATOM 160 CG1 VAL 9 -1.143 -22.858 7.670 0.00 0.00 P C +ATOM 161 HG11 VAL 9 -1.363 -23.518 6.800 0.00 0.00 P H +ATOM 162 HG12 VAL 9 -0.483 -23.368 8.400 0.00 0.00 P H +ATOM 163 HG13 VAL 9 -2.113 -22.838 8.210 0.00 0.00 P H +ATOM 164 CG2 VAL 9 0.827 -21.998 6.440 0.00 0.00 P C +ATOM 165 HG21 VAL 9 0.767 -22.738 5.620 0.00 0.00 P H +ATOM 166 HG22 VAL 9 1.317 -21.148 5.930 0.00 0.00 P H +ATOM 167 HG23 VAL 9 1.587 -22.248 7.210 0.00 0.00 P H +ATOM 168 C VAL 9 -1.373 -19.568 6.090 0.00 0.00 P C +ATOM 169 O VAL 9 -0.383 -18.908 6.220 0.00 0.00 P O +ATOM 170 N LYS 10 -2.513 -19.008 5.680 0.00 0.00 P N +ATOM 171 HN LYS 10 -3.273 -19.658 5.610 0.00 0.00 P H +ATOM 172 CA LYS 10 -2.693 -17.678 5.100 0.00 0.00 P C +ATOM 173 HA LYS 10 -1.833 -17.568 4.460 0.00 0.00 P H +ATOM 174 CB LYS 10 -3.983 -17.688 4.220 0.00 0.00 P C +ATOM 175 HB1 LYS 10 -4.743 -18.288 4.770 0.00 0.00 P H +ATOM 176 HB2 LYS 10 -4.353 -16.678 3.940 0.00 0.00 P H +ATOM 177 CG LYS 10 -3.743 -18.228 2.850 0.00 0.00 P C +ATOM 178 HG1 LYS 10 -3.093 -17.498 2.320 0.00 0.00 P H +ATOM 179 HG2 LYS 10 -3.093 -19.128 2.810 0.00 0.00 P H +ATOM 180 CD LYS 10 -5.133 -18.428 2.110 0.00 0.00 P C +ATOM 181 HD1 LYS 10 -5.563 -17.408 2.190 0.00 0.00 P H +ATOM 182 HD2 LYS 10 -4.893 -18.638 1.050 0.00 0.00 P H +ATOM 183 CE LYS 10 -6.223 -19.148 2.750 0.00 0.00 P C +ATOM 184 HE1 LYS 10 -6.803 -18.558 3.480 0.00 0.00 P H +ATOM 185 HE2 LYS 10 -6.863 -19.198 1.840 0.00 0.00 P H +ATOM 186 NZ LYS 10 -5.783 -20.388 3.350 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 -5.183 -20.188 4.180 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 -6.653 -20.828 3.730 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 -5.453 -20.798 2.450 0.00 0.00 P H +ATOM 190 C LYS 10 -2.883 -16.658 6.220 0.00 0.00 P C +ATOM 191 O LYS 10 -3.603 -16.828 7.230 0.00 0.00 P O +ATOM 192 N GLY 11 -2.163 -15.538 6.090 0.00 0.00 P N +ATOM 193 HN GLY 11 -1.423 -15.608 5.420 0.00 0.00 P H +ATOM 194 CA GLY 11 -2.193 -14.418 6.980 0.00 0.00 P C +ATOM 195 HA1 GLY 11 -2.663 -14.618 7.930 0.00 0.00 P H +ATOM 196 HA2 GLY 11 -1.143 -14.178 7.110 0.00 0.00 P H +ATOM 197 C GLY 11 -3.023 -13.328 6.400 0.00 0.00 P C +ATOM 198 O GLY 11 -3.593 -13.378 5.210 0.00 0.00 P O +ATOM 199 N MET 12 -3.093 -12.218 7.120 0.00 0.00 P N +ATOM 200 HN MET 12 -2.593 -12.128 7.970 0.00 0.00 P H +ATOM 201 CA MET 12 -3.853 -11.098 6.840 0.00 0.00 P C +ATOM 202 HA MET 12 -4.853 -11.498 6.750 0.00 0.00 P H +ATOM 203 CB MET 12 -4.003 -10.118 8.000 0.00 0.00 P C +ATOM 204 HB1 MET 12 -3.033 -9.688 8.320 0.00 0.00 P H +ATOM 205 HB2 MET 12 -4.493 -9.218 7.570 0.00 0.00 P H +ATOM 206 CG MET 12 -4.813 -10.878 9.100 0.00 0.00 P C +ATOM 207 HG1 MET 12 -4.223 -11.678 9.590 0.00 0.00 P H +ATOM 208 HG2 MET 12 -4.933 -10.038 9.820 0.00 0.00 P H +ATOM 209 SD MET 12 -6.573 -11.468 8.640 0.00 0.00 P S +ATOM 210 CE MET 12 -6.313 -13.168 9.070 0.00 0.00 P C +ATOM 211 HE1 MET 12 -5.693 -13.268 9.990 0.00 0.00 P H +ATOM 212 HE2 MET 12 -7.133 -13.788 9.490 0.00 0.00 P H +ATOM 213 HE3 MET 12 -5.543 -13.568 8.380 0.00 0.00 P H +ATOM 214 C MET 12 -3.363 -10.188 5.740 0.00 0.00 P C +ATOM 215 O MET 12 -4.113 -9.558 5.080 0.00 0.00 P O +ATOM 216 N GLY 13 -1.973 -10.188 5.490 0.00 0.00 P N +ATOM 217 HN GLY 13 -1.363 -10.728 6.070 0.00 0.00 P H +ATOM 218 CA GLY 13 -1.263 -9.238 4.760 0.00 0.00 P C +ATOM 219 HA1 GLY 13 -0.213 -9.508 4.780 0.00 0.00 P H +ATOM 220 HA2 GLY 13 -1.773 -9.368 3.820 0.00 0.00 P H +ATOM 221 C GLY 13 -1.443 -7.738 5.070 0.00 0.00 P C +ATOM 222 O GLY 13 -2.173 -7.268 5.950 0.00 0.00 P O +ATOM 223 N LYS 14 -0.783 -6.868 4.150 0.00 0.00 P N +ATOM 224 HN LYS 14 -0.793 -7.248 3.230 0.00 0.00 P H +ATOM 225 CA LYS 14 -0.543 -5.438 4.240 0.00 0.00 P C +ATOM 226 HA LYS 14 0.017 -5.098 3.380 0.00 0.00 P H +ATOM 227 CB LYS 14 -1.773 -4.698 4.410 0.00 0.00 P C +ATOM 228 HB1 LYS 14 -2.503 -4.858 3.600 0.00 0.00 P H +ATOM 229 HB2 LYS 14 -2.363 -4.998 5.300 0.00 0.00 P H +ATOM 230 CG LYS 14 -1.523 -3.248 4.670 0.00 0.00 P C +ATOM 231 HG1 LYS 14 -2.433 -2.698 5.010 0.00 0.00 P H +ATOM 232 HG2 LYS 14 -0.803 -2.968 5.470 0.00 0.00 P H +ATOM 233 CD LYS 14 -1.163 -2.388 3.410 0.00 0.00 P C +ATOM 234 HD1 LYS 14 -0.053 -2.418 3.360 0.00 0.00 P H +ATOM 235 HD2 LYS 14 -1.493 -2.988 2.530 0.00 0.00 P H +ATOM 236 CE LYS 14 -1.943 -1.088 3.480 0.00 0.00 P C +ATOM 237 HE1 LYS 14 -3.003 -1.188 3.810 0.00 0.00 P H +ATOM 238 HE2 LYS 14 -1.523 -0.628 4.410 0.00 0.00 P H +ATOM 239 NZ LYS 14 -1.773 -0.258 2.390 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 -1.913 0.752 2.610 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 -0.873 -0.428 1.890 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 -2.563 -0.458 1.740 0.00 0.00 P H +ATOM 243 C LYS 14 0.437 -5.108 5.330 0.00 0.00 P C +ATOM 244 O LYS 14 0.217 -5.368 6.480 0.00 0.00 P O +ATOM 245 N LYS 15 1.577 -4.478 5.070 0.00 0.00 P N +ATOM 246 HN LYS 15 1.867 -4.178 4.170 0.00 0.00 P H +ATOM 247 CA LYS 15 2.357 -3.778 6.190 0.00 0.00 P C +ATOM 248 HA LYS 15 2.437 -4.498 6.990 0.00 0.00 P H +ATOM 249 CB LYS 15 3.777 -3.458 5.700 0.00 0.00 P C +ATOM 250 HB1 LYS 15 3.777 -2.888 4.750 0.00 0.00 P H +ATOM 251 HB2 LYS 15 4.287 -2.848 6.480 0.00 0.00 P H +ATOM 252 CG LYS 15 4.687 -4.638 5.690 0.00 0.00 P C +ATOM 253 HG1 LYS 15 4.787 -5.078 6.710 0.00 0.00 P H +ATOM 254 HG2 LYS 15 4.307 -5.438 5.020 0.00 0.00 P H +ATOM 255 CD LYS 15 6.047 -4.218 5.220 0.00 0.00 P C +ATOM 256 HD1 LYS 15 6.047 -3.908 4.150 0.00 0.00 P H +ATOM 257 HD2 LYS 15 6.557 -3.428 5.820 0.00 0.00 P H +ATOM 258 CE LYS 15 7.117 -5.328 5.330 0.00 0.00 P C +ATOM 259 HE1 LYS 15 8.057 -4.768 5.160 0.00 0.00 P H +ATOM 260 HE2 LYS 15 7.097 -5.578 6.410 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.867 -6.438 4.420 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 6.827 -6.198 3.410 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.627 -7.108 4.650 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.967 -6.898 4.680 0.00 0.00 P H +ATOM 265 C LYS 15 1.647 -2.558 6.870 0.00 0.00 P C +ATOM 266 O LYS 15 1.147 -1.728 6.090 0.00 0.00 P O +ATOM 267 N GLY 16 1.667 -2.328 8.200 0.00 0.00 P N +ATOM 268 HN GLY 16 2.487 -2.658 8.670 0.00 0.00 P H +ATOM 269 CA GLY 16 0.987 -1.278 8.720 0.00 0.00 P C +ATOM 270 HA1 GLY 16 -0.083 -1.248 8.570 0.00 0.00 P H +ATOM 271 HA2 GLY 16 1.287 -1.238 9.750 0.00 0.00 P H +ATOM 272 C GLY 16 1.527 0.152 8.300 0.00 0.00 P C +ATOM 273 O GLY 16 2.717 0.382 8.200 0.00 0.00 P O +ATOM 274 N GLU 17 0.577 1.142 7.990 0.00 0.00 P N +ATOM 275 HN GLU 17 -0.373 0.852 8.090 0.00 0.00 P H +ATOM 276 CA GLU 17 0.877 2.462 7.500 0.00 0.00 P C +ATOM 277 HA GLU 17 1.767 2.532 6.890 0.00 0.00 P H +ATOM 278 CB GLU 17 -0.203 2.782 6.480 0.00 0.00 P C +ATOM 279 HB1 GLU 17 -1.233 2.412 6.690 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.233 3.882 6.310 0.00 0.00 P H +ATOM 281 CG GLU 17 0.357 2.062 5.040 0.00 0.00 P C +ATOM 282 HG1 GLU 17 1.407 2.432 5.010 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.237 0.962 5.040 0.00 0.00 P H +ATOM 284 CD GLU 17 -0.313 2.692 3.790 0.00 0.00 P C +ATOM 285 OE1 GLU 17 0.257 3.722 3.360 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.363 2.222 3.310 0.00 0.00 P O +ATOM 287 C GLU 17 0.957 3.472 8.670 0.00 0.00 P C +ATOM 288 O GLU 17 0.507 3.172 9.730 0.00 0.00 P O +ATOM 289 N ILE 18 1.617 4.662 8.350 0.00 0.00 P N +ATOM 290 HN ILE 18 2.167 4.782 7.530 0.00 0.00 P H +ATOM 291 CA ILE 18 1.497 5.882 9.120 0.00 0.00 P C +ATOM 292 HA ILE 18 0.667 5.732 9.800 0.00 0.00 P H +ATOM 293 CB ILE 18 2.617 6.222 10.220 0.00 0.00 P C +ATOM 294 HB ILE 18 2.577 5.432 11.000 0.00 0.00 P H +ATOM 295 CG2 ILE 18 4.087 6.292 9.650 0.00 0.00 P C +ATOM 296 HG21 ILE 18 4.837 6.712 10.350 0.00 0.00 P H +ATOM 297 HG22 ILE 18 4.317 5.232 9.430 0.00 0.00 P H +ATOM 298 HG23 ILE 18 4.087 6.812 8.670 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.307 7.612 10.890 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.037 7.522 11.720 0.00 0.00 P H +ATOM 301 HG12 ILE 18 2.667 8.332 10.120 0.00 0.00 P H +ATOM 302 CD ILE 18 0.927 7.702 11.530 0.00 0.00 P C +ATOM 303 HD1 ILE 18 0.847 6.852 12.230 0.00 0.00 P H +ATOM 304 HD2 ILE 18 0.837 8.632 12.130 0.00 0.00 P H +ATOM 305 HD3 ILE 18 0.077 7.712 10.810 0.00 0.00 P H +ATOM 306 C ILE 18 1.227 6.882 8.110 0.00 0.00 P C +ATOM 307 O ILE 18 1.887 6.912 7.090 0.00 0.00 P O +ATOM 308 N LYS 19 0.127 7.622 8.320 0.00 0.00 P N +ATOM 309 HN LYS 19 -0.253 7.712 9.240 0.00 0.00 P H +ATOM 310 CA LYS 19 -0.273 8.572 7.350 0.00 0.00 P C +ATOM 311 HA LYS 19 0.257 8.492 6.410 0.00 0.00 P H +ATOM 312 CB LYS 19 -1.753 8.632 7.040 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.303 8.582 8.010 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -2.153 9.562 6.600 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.113 7.502 6.100 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.803 6.532 6.550 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -3.223 7.472 6.110 0.00 0.00 P H +ATOM 318 CD LYS 19 -1.683 7.282 4.570 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -1.833 8.272 4.110 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -0.633 6.942 4.700 0.00 0.00 P H +ATOM 321 CE LYS 19 -2.453 6.272 3.840 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -2.953 5.502 4.460 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -3.293 6.872 3.420 0.00 0.00 P H +ATOM 324 NZ LYS 19 -1.613 5.832 2.620 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -2.183 5.782 1.750 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -0.813 6.492 2.560 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -1.303 4.902 2.960 0.00 0.00 P H +ATOM 328 C LYS 19 0.307 9.912 7.730 0.00 0.00 P C +ATOM 329 O LYS 19 0.747 10.262 8.800 0.00 0.00 P O +ATOM 330 N ASN 20 0.447 10.892 6.690 0.00 0.00 P N +ATOM 331 HN ASN 20 0.327 10.602 5.740 0.00 0.00 P H +ATOM 332 CA ASN 20 0.647 12.322 7.040 0.00 0.00 P C +ATOM 333 HA ASN 20 0.427 12.972 6.210 0.00 0.00 P H +ATOM 334 CB ASN 20 -0.213 13.112 8.160 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -0.133 12.612 9.150 0.00 0.00 P H +ATOM 336 HB2 ASN 20 0.207 14.142 8.190 0.00 0.00 P H +ATOM 337 CG ASN 20 -1.663 12.992 7.820 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -2.123 11.872 7.590 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -2.483 14.092 7.890 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -3.323 14.112 7.360 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -2.243 15.022 8.160 0.00 0.00 P H +ATOM 342 C ASN 20 2.117 12.632 7.130 0.00 0.00 P C +ATOM 343 O ASN 20 2.437 13.772 6.890 0.00 0.00 P O +ATOM 344 N VAL 21 3.017 11.722 7.560 0.00 0.00 P N +ATOM 345 HN VAL 21 2.717 10.802 7.810 0.00 0.00 P H +ATOM 346 CA VAL 21 4.477 12.032 7.850 0.00 0.00 P C +ATOM 347 HA VAL 21 4.517 13.092 8.080 0.00 0.00 P H +ATOM 348 CB VAL 21 4.997 11.302 9.030 0.00 0.00 P C +ATOM 349 HB VAL 21 5.487 10.322 8.870 0.00 0.00 P H +ATOM 350 CG1 VAL 21 6.117 12.132 9.580 0.00 0.00 P C +ATOM 351 HG11 VAL 21 6.837 12.352 8.760 0.00 0.00 P H +ATOM 352 HG12 VAL 21 5.777 13.132 9.920 0.00 0.00 P H +ATOM 353 HG13 VAL 21 6.577 11.602 10.440 0.00 0.00 P H +ATOM 354 CG2 VAL 21 3.997 10.932 10.150 0.00 0.00 P C +ATOM 355 HG21 VAL 21 3.597 11.842 10.650 0.00 0.00 P H +ATOM 356 HG22 VAL 21 3.207 10.362 9.630 0.00 0.00 P H +ATOM 357 HG23 VAL 21 4.277 10.282 11.010 0.00 0.00 P H +ATOM 358 C VAL 21 5.367 12.032 6.620 0.00 0.00 P C +ATOM 359 O VAL 21 6.037 12.932 6.290 0.00 0.00 P O +ATOM 360 N ALA 22 5.397 10.852 5.910 0.00 0.00 P N +ATOM 361 HN ALA 22 4.747 10.092 5.930 0.00 0.00 P H +ATOM 362 CA ALA 22 6.597 10.602 5.000 0.00 0.00 P C +ATOM 363 HA ALA 22 7.387 11.332 5.120 0.00 0.00 P H +ATOM 364 CB ALA 22 7.287 9.372 5.460 0.00 0.00 P C +ATOM 365 HB1 ALA 22 6.467 8.632 5.340 0.00 0.00 P H +ATOM 366 HB2 ALA 22 8.147 9.222 4.770 0.00 0.00 P H +ATOM 367 HB3 ALA 22 7.617 9.372 6.520 0.00 0.00 P H +ATOM 368 C ALA 22 5.937 10.662 3.560 0.00 0.00 P C +ATOM 369 O ALA 22 6.587 10.402 2.580 0.00 0.00 P O +ATOM 370 N ASP 23 4.607 10.972 3.510 0.00 0.00 P N +ATOM 371 HN ASP 23 4.077 10.922 4.350 0.00 0.00 P H +ATOM 372 CA ASP 23 3.897 11.202 2.320 0.00 0.00 P C +ATOM 373 HA ASP 23 3.887 10.262 1.790 0.00 0.00 P H +ATOM 374 CB ASP 23 2.317 11.372 2.550 0.00 0.00 P C +ATOM 375 HB1 ASP 23 1.997 12.122 3.300 0.00 0.00 P H +ATOM 376 HB2 ASP 23 1.837 11.692 1.600 0.00 0.00 P H +ATOM 377 CG ASP 23 1.597 10.152 3.000 0.00 0.00 P C +ATOM 378 OD1 ASP 23 2.177 9.112 2.730 0.00 0.00 P O +ATOM 379 OD2 ASP 23 0.467 10.112 3.550 0.00 0.00 P O +ATOM 380 C ASP 23 4.487 12.302 1.390 0.00 0.00 P C +ATOM 381 O ASP 23 4.487 13.422 1.750 0.00 0.00 P O +ATOM 382 N GLY 24 5.147 11.962 0.190 0.00 0.00 P N +ATOM 383 HN GLY 24 5.417 11.042 -0.090 0.00 0.00 P H +ATOM 384 CA GLY 24 5.767 12.892 -0.750 0.00 0.00 P C +ATOM 385 HA1 GLY 24 6.647 13.312 -0.290 0.00 0.00 P H +ATOM 386 HA2 GLY 24 5.827 12.472 -1.750 0.00 0.00 P H +ATOM 387 C GLY 24 5.017 14.082 -1.130 0.00 0.00 P C +ATOM 388 O GLY 24 5.547 15.212 -0.990 0.00 0.00 P O +ATOM 389 N TYR 25 3.647 13.952 -1.420 0.00 0.00 P N +ATOM 390 HN TYR 25 3.157 13.082 -1.410 0.00 0.00 P H +ATOM 391 CA TYR 25 2.937 15.212 -1.910 0.00 0.00 P C +ATOM 392 HA TYR 25 3.687 15.632 -2.560 0.00 0.00 P H +ATOM 393 CB TYR 25 1.667 14.562 -2.590 0.00 0.00 P C +ATOM 394 HB1 TYR 25 1.107 14.012 -1.800 0.00 0.00 P H +ATOM 395 HB2 TYR 25 0.997 15.412 -2.850 0.00 0.00 P H +ATOM 396 CG TYR 25 1.817 13.852 -3.960 0.00 0.00 P C +ATOM 397 CD1 TYR 25 0.727 13.122 -4.480 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -0.183 13.182 -3.890 0.00 0.00 P H +ATOM 399 CE1 TYR 25 0.877 12.342 -5.650 0.00 0.00 P C +ATOM 400 HE1 TYR 25 0.077 11.722 -6.050 0.00 0.00 P H +ATOM 401 CZ TYR 25 2.117 12.222 -6.230 0.00 0.00 P C +ATOM 402 OH TYR 25 2.277 11.352 -7.280 0.00 0.00 P O +ATOM 403 HH TYR 25 3.097 11.442 -7.770 0.00 0.00 P H +ATOM 404 CD2 TYR 25 2.977 13.832 -4.750 0.00 0.00 P C +ATOM 405 HD2 TYR 25 3.777 14.442 -4.380 0.00 0.00 P H +ATOM 406 CE2 TYR 25 3.187 13.062 -5.860 0.00 0.00 P C +ATOM 407 HE2 TYR 25 4.187 13.192 -6.240 0.00 0.00 P H +ATOM 408 C TYR 25 2.537 16.152 -0.710 0.00 0.00 P C +ATOM 409 O TYR 25 2.347 17.352 -0.850 0.00 0.00 P O +ATOM 410 N ALA 26 2.407 15.622 0.530 0.00 0.00 P N +ATOM 411 HN ALA 26 2.777 14.712 0.710 0.00 0.00 P H +ATOM 412 CA ALA 26 2.277 16.502 1.710 0.00 0.00 P C +ATOM 413 HA ALA 26 1.717 17.392 1.440 0.00 0.00 P H +ATOM 414 CB ALA 26 1.377 15.802 2.700 0.00 0.00 P C +ATOM 415 HB1 ALA 26 0.337 15.662 2.360 0.00 0.00 P H +ATOM 416 HB2 ALA 26 1.747 14.892 3.210 0.00 0.00 P H +ATOM 417 HB3 ALA 26 1.077 16.462 3.540 0.00 0.00 P H +ATOM 418 C ALA 26 3.507 17.042 2.380 0.00 0.00 P C +ATOM 419 O ALA 26 3.527 18.022 3.060 0.00 0.00 P O +ATOM 420 N ASN 27 4.667 16.332 2.130 0.00 0.00 P N +ATOM 421 HN ASN 27 4.497 15.492 1.620 0.00 0.00 P H +ATOM 422 CA ASN 27 5.977 16.632 2.430 0.00 0.00 P C +ATOM 423 HA ASN 27 5.947 17.082 3.410 0.00 0.00 P H +ATOM 424 CB ASN 27 6.777 15.322 2.530 0.00 0.00 P C +ATOM 425 HB1 ASN 27 6.427 14.592 3.290 0.00 0.00 P H +ATOM 426 HB2 ASN 27 6.657 14.712 1.610 0.00 0.00 P H +ATOM 427 CG ASN 27 8.237 15.452 2.720 0.00 0.00 P C +ATOM 428 OD1 ASN 27 9.027 14.612 2.320 0.00 0.00 P O +ATOM 429 ND2 ASN 27 8.727 16.482 3.520 0.00 0.00 P N +ATOM 430 HD21 ASN 27 8.137 17.142 3.990 0.00 0.00 P H +ATOM 431 HD22 ASN 27 9.727 16.482 3.510 0.00 0.00 P H +ATOM 432 C ASN 27 6.427 17.682 1.460 0.00 0.00 P C +ATOM 433 O ASN 27 7.317 18.392 1.750 0.00 0.00 P O +ATOM 434 N ASN 28 5.717 17.742 0.290 0.00 0.00 P N +ATOM 435 HN ASN 28 4.957 17.102 0.190 0.00 0.00 P H +ATOM 436 CA ASN 28 5.847 18.742 -0.700 0.00 0.00 P C +ATOM 437 HA ASN 28 4.987 18.602 -1.340 0.00 0.00 P H +ATOM 438 CB ASN 28 5.847 20.302 -0.440 0.00 0.00 P C +ATOM 439 HB1 ASN 28 6.717 20.482 0.220 0.00 0.00 P H +ATOM 440 HB2 ASN 28 5.867 20.832 -1.420 0.00 0.00 P H +ATOM 441 CG ASN 28 4.627 20.892 0.280 0.00 0.00 P C +ATOM 442 OD1 ASN 28 3.607 21.272 -0.330 0.00 0.00 P O +ATOM 443 ND2 ASN 28 4.707 21.152 1.580 0.00 0.00 P N +ATOM 444 HD21 ASN 28 4.047 21.832 1.910 0.00 0.00 P H +ATOM 445 HD22 ASN 28 5.547 21.062 2.110 0.00 0.00 P H +ATOM 446 C ASN 28 7.027 18.332 -1.580 0.00 0.00 P C +ATOM 447 O ASN 28 7.597 19.132 -2.200 0.00 0.00 P O +ATOM 448 N PHE 29 7.447 17.082 -1.730 0.00 0.00 P N +ATOM 449 HN PHE 29 6.847 16.402 -1.310 0.00 0.00 P H +ATOM 450 CA PHE 29 8.727 16.592 -2.200 0.00 0.00 P C +ATOM 451 HA PHE 29 9.407 17.272 -2.690 0.00 0.00 P H +ATOM 452 CB PHE 29 9.477 16.202 -0.910 0.00 0.00 P C +ATOM 453 HB1 PHE 29 8.777 16.072 -0.060 0.00 0.00 P H +ATOM 454 HB2 PHE 29 10.007 15.232 -0.990 0.00 0.00 P H +ATOM 455 CG PHE 29 10.447 17.212 -0.380 0.00 0.00 P C +ATOM 456 CD1 PHE 29 10.267 18.512 0.180 0.00 0.00 P C +ATOM 457 HD1 PHE 29 9.237 18.832 0.130 0.00 0.00 P H +ATOM 458 CE1 PHE 29 11.247 19.372 0.700 0.00 0.00 P C +ATOM 459 HE1 PHE 29 11.087 20.322 1.180 0.00 0.00 P H +ATOM 460 CZ PHE 29 12.537 18.892 0.630 0.00 0.00 P C +ATOM 461 HZ PHE 29 13.237 19.542 1.130 0.00 0.00 P H +ATOM 462 CD2 PHE 29 11.837 16.862 -0.470 0.00 0.00 P C +ATOM 463 HD2 PHE 29 12.137 15.932 -0.920 0.00 0.00 P H +ATOM 464 CE2 PHE 29 12.857 17.632 0.180 0.00 0.00 P C +ATOM 465 HE2 PHE 29 13.847 17.202 0.110 0.00 0.00 P H +ATOM 466 C PHE 29 8.757 15.412 -3.140 0.00 0.00 P C +ATOM 467 O PHE 29 8.267 14.362 -2.900 0.00 0.00 P O +ATOM 468 N LEU 30 9.457 15.642 -4.360 0.00 0.00 P N +ATOM 469 HN LEU 30 9.967 16.482 -4.480 0.00 0.00 P H +ATOM 470 CA LEU 30 9.277 14.812 -5.500 0.00 0.00 P C +ATOM 471 HA LEU 30 9.787 15.342 -6.290 0.00 0.00 P H +ATOM 472 CB LEU 30 9.907 13.332 -5.530 0.00 0.00 P C +ATOM 473 HB1 LEU 30 9.267 12.772 -4.820 0.00 0.00 P H +ATOM 474 HB2 LEU 30 9.757 12.892 -6.540 0.00 0.00 P H +ATOM 475 CG LEU 30 11.417 13.032 -5.080 0.00 0.00 P C +ATOM 476 HG LEU 30 11.457 13.352 -4.020 0.00 0.00 P H +ATOM 477 CD1 LEU 30 11.777 11.592 -5.060 0.00 0.00 P C +ATOM 478 HD11 LEU 30 11.607 11.032 -6.000 0.00 0.00 P H +ATOM 479 HD12 LEU 30 12.867 11.602 -4.890 0.00 0.00 P H +ATOM 480 HD13 LEU 30 11.197 10.962 -4.340 0.00 0.00 P H +ATOM 481 CD2 LEU 30 12.197 13.972 -5.900 0.00 0.00 P C +ATOM 482 HD21 LEU 30 11.897 13.712 -6.940 0.00 0.00 P H +ATOM 483 HD22 LEU 30 12.037 15.022 -5.570 0.00 0.00 P H +ATOM 484 HD23 LEU 30 13.287 13.902 -5.680 0.00 0.00 P H +ATOM 485 C LEU 30 7.857 14.882 -6.130 0.00 0.00 P C +ATOM 486 O LEU 30 7.307 14.012 -6.790 0.00 0.00 P O +ATOM 487 N PHE 31 7.307 16.052 -5.930 0.00 0.00 P N +ATOM 488 HN PHE 31 7.807 16.802 -5.510 0.00 0.00 P H +ATOM 489 CA PHE 31 6.047 16.562 -6.540 0.00 0.00 P C +ATOM 490 HA PHE 31 5.417 15.692 -6.660 0.00 0.00 P H +ATOM 491 CB PHE 31 5.517 17.842 -5.670 0.00 0.00 P C +ATOM 492 HB1 PHE 31 5.497 17.582 -4.590 0.00 0.00 P H +ATOM 493 HB2 PHE 31 6.197 18.712 -5.750 0.00 0.00 P H +ATOM 494 CG PHE 31 4.137 18.412 -5.990 0.00 0.00 P C +ATOM 495 CD1 PHE 31 2.897 17.762 -5.690 0.00 0.00 P C +ATOM 496 HD1 PHE 31 3.077 16.772 -5.280 0.00 0.00 P H +ATOM 497 CE1 PHE 31 1.657 18.292 -5.960 0.00 0.00 P C +ATOM 498 HE1 PHE 31 0.737 17.742 -5.860 0.00 0.00 P H +ATOM 499 CZ PHE 31 1.627 19.662 -6.350 0.00 0.00 P C +ATOM 500 HZ PHE 31 0.707 20.162 -6.640 0.00 0.00 P H +ATOM 501 CD2 PHE 31 4.087 19.652 -6.680 0.00 0.00 P C +ATOM 502 HD2 PHE 31 4.947 20.282 -6.830 0.00 0.00 P H +ATOM 503 CE2 PHE 31 2.767 20.332 -6.680 0.00 0.00 P C +ATOM 504 HE2 PHE 31 2.717 21.382 -6.930 0.00 0.00 P H +ATOM 505 C PHE 31 6.297 16.982 -7.990 0.00 0.00 P C +ATOM 506 O PHE 31 7.337 17.702 -8.210 0.00 0.00 P O +ATOM 507 N LYS 32 5.657 16.352 -8.910 0.00 0.00 P N +ATOM 508 HN LYS 32 5.287 15.462 -8.630 0.00 0.00 P H +ATOM 509 CA LYS 32 6.037 16.442 -10.240 0.00 0.00 P C +ATOM 510 HA LYS 32 7.037 16.842 -10.290 0.00 0.00 P H +ATOM 511 CB LYS 32 5.937 15.172 -11.000 0.00 0.00 P C +ATOM 512 HB1 LYS 32 4.897 14.792 -11.100 0.00 0.00 P H +ATOM 513 HB2 LYS 32 6.207 15.392 -12.050 0.00 0.00 P H +ATOM 514 CG LYS 32 6.957 14.212 -10.420 0.00 0.00 P C +ATOM 515 HG1 LYS 32 8.027 14.482 -10.540 0.00 0.00 P H +ATOM 516 HG2 LYS 32 6.947 14.132 -9.310 0.00 0.00 P H +ATOM 517 CD LYS 32 7.037 12.772 -10.950 0.00 0.00 P C +ATOM 518 HD1 LYS 32 6.307 12.022 -10.580 0.00 0.00 P H +ATOM 519 HD2 LYS 32 6.767 12.762 -12.030 0.00 0.00 P H +ATOM 520 CE LYS 32 8.407 12.142 -10.790 0.00 0.00 P C +ATOM 521 HE1 LYS 32 8.997 12.642 -11.590 0.00 0.00 P H +ATOM 522 HE2 LYS 32 8.917 12.322 -9.820 0.00 0.00 P H +ATOM 523 NZ LYS 32 8.407 10.662 -10.950 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 7.517 10.392 -10.470 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 8.307 10.472 -11.960 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 9.327 10.312 -10.620 0.00 0.00 P H +ATOM 527 C LYS 32 5.367 17.542 -10.990 0.00 0.00 P C +ATOM 528 O LYS 32 4.277 18.062 -10.610 0.00 0.00 P O +ATOM 529 N GLN 33 5.917 18.122 -12.140 0.00 0.00 P N +ATOM 530 HN GLN 33 6.797 17.812 -12.470 0.00 0.00 P H +ATOM 531 CA GLN 33 5.337 19.222 -12.750 0.00 0.00 P C +ATOM 532 HA GLN 33 4.847 19.822 -12.000 0.00 0.00 P H +ATOM 533 CB GLN 33 6.357 20.192 -13.400 0.00 0.00 P C +ATOM 534 HB1 GLN 33 6.497 19.912 -14.470 0.00 0.00 P H +ATOM 535 HB2 GLN 33 5.767 21.102 -13.630 0.00 0.00 P H +ATOM 536 CG GLN 33 7.557 20.602 -12.500 0.00 0.00 P C +ATOM 537 HG1 GLN 33 8.287 19.892 -12.940 0.00 0.00 P H +ATOM 538 HG2 GLN 33 7.977 21.572 -12.830 0.00 0.00 P H +ATOM 539 CD GLN 33 7.447 20.522 -10.980 0.00 0.00 P C +ATOM 540 OE1 GLN 33 6.587 21.102 -10.340 0.00 0.00 P O +ATOM 541 NE2 GLN 33 8.397 19.802 -10.350 0.00 0.00 P N +ATOM 542 HE21 GLN 33 9.077 19.352 -10.930 0.00 0.00 P H +ATOM 543 HE22 GLN 33 8.297 19.982 -9.370 0.00 0.00 P H +ATOM 544 C GLN 33 4.377 18.882 -13.880 0.00 0.00 P C +ATOM 545 O GLN 33 4.677 18.392 -14.980 0.00 0.00 P O +ATOM 546 N GLY 34 3.067 19.262 -13.680 0.00 0.00 P N +ATOM 547 HN GLY 34 2.767 19.602 -12.790 0.00 0.00 P H +ATOM 548 CA GLY 34 2.017 19.122 -14.730 0.00 0.00 P C +ATOM 549 HA1 GLY 34 2.517 18.762 -15.610 0.00 0.00 P H +ATOM 550 HA2 GLY 34 1.117 18.592 -14.470 0.00 0.00 P H +ATOM 551 C GLY 34 1.517 20.512 -15.140 0.00 0.00 P C +ATOM 552 O GLY 34 2.017 21.542 -14.850 0.00 0.00 P O +ATOM 553 N LEU 35 0.557 20.552 -16.200 0.00 0.00 P N +ATOM 554 HN LEU 35 0.157 19.732 -16.600 0.00 0.00 P H +ATOM 555 CA LEU 35 0.047 21.792 -16.700 0.00 0.00 P C +ATOM 556 HA LEU 35 0.957 22.332 -16.870 0.00 0.00 P H +ATOM 557 CB LEU 35 -0.503 21.502 -18.160 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -0.843 20.442 -18.240 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -1.403 22.152 -18.260 0.00 0.00 P H +ATOM 560 CG LEU 35 0.397 21.882 -19.360 0.00 0.00 P C +ATOM 561 HG LEU 35 1.437 21.502 -19.220 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -0.133 21.322 -20.590 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -1.213 21.542 -20.550 0.00 0.00 P H +ATOM 564 HD12 LEU 35 0.347 21.842 -21.450 0.00 0.00 P H +ATOM 565 HD13 LEU 35 0.127 20.242 -20.690 0.00 0.00 P H +ATOM 566 CD2 LEU 35 0.527 23.462 -19.650 0.00 0.00 P C +ATOM 567 HD21 LEU 35 1.287 23.672 -20.440 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -0.493 23.752 -19.970 0.00 0.00 P H +ATOM 569 HD23 LEU 35 0.717 24.172 -18.820 0.00 0.00 P H +ATOM 570 C LEU 35 -0.783 22.662 -15.940 0.00 0.00 P C +ATOM 571 O LEU 35 -1.973 22.392 -15.880 0.00 0.00 P O +ATOM 572 N ALA 36 -0.143 23.692 -15.360 0.00 0.00 P N +ATOM 573 HN ALA 36 0.857 23.692 -15.320 0.00 0.00 P H +ATOM 574 CA ALA 36 -0.753 24.812 -14.740 0.00 0.00 P C +ATOM 575 HA ALA 36 0.007 25.562 -14.830 0.00 0.00 P H +ATOM 576 CB ALA 36 -2.093 25.292 -15.440 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -2.933 24.572 -15.440 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -2.473 26.262 -15.040 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -1.883 25.332 -16.530 0.00 0.00 P H +ATOM 580 C ALA 36 -1.013 24.692 -13.190 0.00 0.00 P C +ATOM 581 O ALA 36 -1.753 25.512 -12.600 0.00 0.00 P O +ATOM 582 N ILE 37 -0.403 23.742 -12.580 0.00 0.00 P N +ATOM 583 HN ILE 37 0.297 23.322 -13.150 0.00 0.00 P H +ATOM 584 CA ILE 37 -0.913 23.192 -11.340 0.00 0.00 P C +ATOM 585 HA ILE 37 -1.953 23.472 -11.210 0.00 0.00 P H +ATOM 586 CB ILE 37 -0.643 21.692 -11.310 0.00 0.00 P C +ATOM 587 HB ILE 37 -0.963 21.282 -10.330 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -1.383 21.002 -12.380 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -0.743 20.112 -12.570 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -2.363 20.522 -12.180 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -1.503 21.502 -13.370 0.00 0.00 P H +ATOM 592 CG1 ILE 37 0.927 21.342 -11.420 0.00 0.00 P C +ATOM 593 HG11 ILE 37 1.057 21.132 -12.500 0.00 0.00 P H +ATOM 594 HG12 ILE 37 1.577 22.232 -11.310 0.00 0.00 P H +ATOM 595 CD ILE 37 1.297 20.212 -10.620 0.00 0.00 P C +ATOM 596 HD1 ILE 37 0.937 19.222 -10.980 0.00 0.00 P H +ATOM 597 HD2 ILE 37 2.397 20.032 -10.600 0.00 0.00 P H +ATOM 598 HD3 ILE 37 0.987 20.252 -9.560 0.00 0.00 P H +ATOM 599 C ILE 37 -0.253 23.862 -10.100 0.00 0.00 P C +ATOM 600 O ILE 37 -0.543 23.402 -8.990 0.00 0.00 P O +ATOM 601 N GLU 38 0.607 24.882 -10.230 0.00 0.00 P N +ATOM 602 HN GLU 38 0.827 25.422 -11.040 0.00 0.00 P H +ATOM 603 CA GLU 38 1.107 25.552 -9.030 0.00 0.00 P C +ATOM 604 HA GLU 38 1.827 24.862 -8.630 0.00 0.00 P H +ATOM 605 CB GLU 38 2.037 26.772 -9.430 0.00 0.00 P C +ATOM 606 HB1 GLU 38 1.407 27.372 -10.130 0.00 0.00 P H +ATOM 607 HB2 GLU 38 2.227 27.492 -8.600 0.00 0.00 P H +ATOM 608 CG GLU 38 3.277 26.572 -10.200 0.00 0.00 P C +ATOM 609 HG1 GLU 38 3.857 25.752 -9.720 0.00 0.00 P H +ATOM 610 HG2 GLU 38 3.147 26.262 -11.260 0.00 0.00 P H +ATOM 611 CD GLU 38 4.127 27.762 -10.210 0.00 0.00 P C +ATOM 612 OE1 GLU 38 5.387 27.692 -10.000 0.00 0.00 P O +ATOM 613 OE2 GLU 38 3.567 28.862 -10.470 0.00 0.00 P O +ATOM 614 C GLU 38 0.267 25.862 -7.800 0.00 0.00 P C +ATOM 615 O GLU 38 -0.733 26.522 -7.930 0.00 0.00 P O +ATOM 616 N ALA 39 0.717 25.432 -6.510 0.00 0.00 P N +ATOM 617 HN ALA 39 1.607 25.072 -6.230 0.00 0.00 P H +ATOM 618 CA ALA 39 -0.213 25.642 -5.450 0.00 0.00 P C +ATOM 619 HA ALA 39 -1.243 25.772 -5.740 0.00 0.00 P H +ATOM 620 CB ALA 39 -0.063 24.262 -4.690 0.00 0.00 P C +ATOM 621 HB1 ALA 39 1.017 24.112 -4.480 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -0.583 24.292 -3.710 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -0.313 23.432 -5.380 0.00 0.00 P H +ATOM 624 C ALA 39 0.147 26.812 -4.440 0.00 0.00 P C +ATOM 625 O ALA 39 -0.563 27.042 -3.520 0.00 0.00 P O +ATOM 626 NT ALA 39 1.337 27.472 -4.570 0.00 0.00 P N +ATOM 627 HNT ALA 39 1.927 27.162 -5.310 0.00 0.00 P H +ATOM 628 CAT ALA 39 1.877 28.342 -3.570 0.00 0.00 P C +ATOM 629 HT1 ALA 39 2.077 29.342 -4.010 0.00 0.00 P H +ATOM 630 HT2 ALA 39 1.327 28.252 -2.610 0.00 0.00 P H +ATOM 631 HT3 ALA 39 2.857 27.832 -3.490 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 -3.896 -3.108 -7.335 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 -3.816 -2.238 -7.715 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 -4.796 -3.378 -7.515 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 20.904 5.497 -12.295 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 21.814 5.777 -12.165 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 20.744 4.867 -11.595 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 -13.974 -19.917 -21.468 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 -13.504 -20.717 -21.678 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 -14.884 -20.107 -21.668 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -22.494 9.222 17.819 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -22.424 9.782 17.039 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -21.584 9.092 18.089 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 12.575 9.682 -24.556 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 12.205 8.803 -24.576 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 13.515 9.553 -24.666 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 3.828 12.681 -16.722 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 4.348 13.291 -16.192 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 3.908 13.011 -17.612 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 16.018 10.452 22.406 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 16.088 10.032 23.266 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 16.008 11.392 22.596 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -10.538 -5.971 16.359 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -10.668 -5.021 16.429 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -11.148 -6.341 16.989 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 23.921 -19.008 19.198 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 24.751 -19.388 19.498 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 23.801 -19.368 18.318 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 -13.458 -1.799 -7.664 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 -13.128 -1.009 -7.244 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 -13.038 -1.819 -8.524 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 13.506 -3.667 -18.842 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 13.676 -4.578 -19.072 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 14.316 -3.207 -19.062 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 -25.104 -2.835 -3.100 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 -25.304 -2.305 -2.330 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 -24.494 -3.495 -2.790 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 17.072 -5.640 -13.401 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 17.252 -4.860 -13.941 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 16.632 -5.290 -12.621 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 15.745 -2.259 14.801 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 16.265 -2.899 14.311 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 14.885 -2.269 14.371 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 8.756 -8.727 23.215 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 8.886 -9.597 23.585 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 7.866 -8.487 23.475 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 -2.911 -18.740 -22.645 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 -3.611 -18.130 -22.875 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 -2.621 -19.100 -23.475 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 3.583 1.856 -19.724 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 3.963 1.766 -18.854 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 3.243 0.986 -19.934 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 -20.573 -21.367 -18.364 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 -21.253 -21.457 -19.034 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 -19.753 -21.547 -18.834 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 6.256 -15.564 -19.654 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 6.116 -16.404 -20.094 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 7.186 -15.564 -19.414 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 -7.681 5.907 -9.487 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 -8.291 5.667 -8.787 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 -8.141 5.667 -10.297 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 -16.226 13.866 -21.877 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 -16.856 14.196 -22.517 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 -16.516 12.976 -21.687 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 -3.296 -13.026 13.592 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 -3.586 -13.616 12.892 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 -2.476 -13.406 13.902 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -3.134 -5.815 18.193 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -3.404 -5.055 18.703 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -2.314 -5.555 17.773 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 7.982 -23.220 12.268 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 7.572 -22.370 12.138 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 8.912 -23.030 12.388 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 9.489 -9.824 -1.651 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 9.829 -10.314 -2.391 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 8.979 -9.114 -2.061 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 0.875 12.942 -15.674 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 0.775 13.852 -15.404 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 1.605 12.962 -16.294 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -5.300 10.188 10.764 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -5.219 11.118 10.944 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -4.749 10.038 9.994 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 23.716 -20.080 -17.811 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 23.276 -19.250 -18.001 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 23.906 -20.460 -18.661 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 13.054 -10.378 -21.436 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 12.154 -10.348 -21.126 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 13.094 -11.158 -21.986 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 20.699 22.887 -16.817 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 19.849 22.987 -16.397 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 20.539 22.297 -17.557 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 14.714 9.701 -3.571 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 14.444 10.621 -3.651 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 13.934 9.241 -3.281 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 21.325 20.469 -3.065 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 21.055 19.629 -2.715 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 22.105 20.709 -2.555 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 -5.803 6.454 5.620 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 -5.273 5.664 5.510 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 -6.373 6.464 4.840 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 9.855 6.707 21.989 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 9.725 7.247 22.769 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 9.735 7.307 21.249 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 -8.124 -0.353 23.140 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 -8.024 -0.813 23.970 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 -8.484 0.497 23.380 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -20.511 -25.039 19.992 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -21.451 -24.969 19.822 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -20.101 -24.989 19.132 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 -9.584 -18.779 9.374 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 -9.054 -17.989 9.414 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 -10.414 -18.539 9.784 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 -18.756 -8.928 17.546 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 -18.406 -8.418 16.816 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 -18.156 -8.748 18.276 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 19.692 8.715 0.026 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 20.342 8.025 -0.084 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 19.742 9.215 -0.784 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 -23.199 -24.511 -23.664 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 -23.099 -24.681 -22.724 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 -22.489 -25.001 -24.074 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 16.014 24.168 -18.201 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 15.114 24.228 -18.521 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 16.394 23.428 -18.671 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 5.298 -12.620 -1.522 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 4.788 -13.430 -1.462 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 4.658 -11.920 -1.502 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 3.453 16.060 8.071 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 2.883 15.300 8.041 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 3.683 16.230 7.161 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 -14.043 -8.249 -24.087 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 -14.803 -8.669 -24.477 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 -14.243 -8.229 -23.147 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 12.072 18.200 20.058 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 11.682 17.380 19.748 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 12.602 18.510 19.328 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 -0.207 -21.151 -8.885 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 -1.147 -21.161 -8.715 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 -0.117 -21.501 -9.775 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 -24.671 -0.883 4.708 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 -24.061 -1.623 4.698 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 -24.151 -0.153 5.058 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 19.607 -18.780 17.120 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 19.117 -18.340 16.420 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 19.017 -19.450 17.440 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 10.606 -16.798 5.088 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 10.046 -16.127 4.698 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 11.476 -16.397 5.098 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 -14.512 -1.081 21.668 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 -15.262 -1.351 21.138 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 -14.262 -1.861 22.158 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 -8.438 -1.918 7.746 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 -7.868 -2.658 7.966 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 -7.838 -1.178 7.666 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 5.416 -10.613 -23.887 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 5.526 -11.373 -24.447 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 5.576 -10.933 -22.997 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 -24.477 -0.199 -19.154 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 -23.537 0.001 -19.154 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 -24.837 0.301 -18.424 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 19.187 13.368 13.674 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 18.507 13.548 14.314 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 19.767 12.748 14.104 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 -10.472 5.249 -16.077 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 -10.082 4.889 -15.287 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 -10.582 4.489 -16.657 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -8.764 12.858 -18.972 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -9.384 12.518 -19.612 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -7.914 12.768 -19.402 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 -0.921 -5.082 16.993 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 -0.701 -5.212 16.063 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 -0.141 -4.702 17.373 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 11.921 -1.817 6.063 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 12.871 -1.738 6.193 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 11.701 -1.108 5.463 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 -12.982 -17.931 -19.594 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 -13.182 -18.301 -18.734 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 -13.572 -18.401 -20.184 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -18.126 -2.898 24.297 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -18.236 -1.968 24.477 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -18.036 -3.308 25.157 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 -10.785 -12.122 -14.507 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 -9.965 -12.502 -14.807 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 -10.605 -11.192 -14.407 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 10.203 -19.507 17.542 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 9.603 -19.287 18.262 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 11.073 -19.317 17.882 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -12.997 -22.253 -10.574 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -13.557 -22.743 -9.964 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -12.187 -22.113 -10.104 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -16.422 -9.768 -22.245 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -17.072 -9.988 -21.585 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -15.592 -9.718 -21.765 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 6.838 4.716 6.876 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 5.888 4.766 6.996 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 7.188 5.316 7.536 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 15.183 12.988 15.842 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 15.453 12.328 16.482 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 14.263 13.158 16.042 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -6.241 -8.309 14.075 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -5.721 -9.099 13.985 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -6.211 -7.899 13.215 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 7.947 -19.576 1.809 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 7.687 -20.236 2.459 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 8.847 -19.366 2.039 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 13.308 -12.954 10.437 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 13.638 -12.384 9.747 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 12.728 -12.394 10.957 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 14.460 4.585 7.518 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 13.541 4.395 7.348 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 14.611 4.255 8.408 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -22.684 5.709 2.105 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -22.414 5.059 1.455 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -22.064 6.429 1.995 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 -13.168 -9.741 -7.170 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 -12.548 -9.011 -7.160 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 -13.398 -9.851 -8.100 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 10.374 5.686 -3.237 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 10.044 4.826 -3.007 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 9.594 6.206 -3.427 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 -19.837 -15.223 -23.941 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 -19.217 -15.163 -24.671 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 -20.677 -14.953 -24.321 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 -21.056 -1.631 23.258 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 -21.846 -2.131 23.458 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 -20.776 -1.261 24.088 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 8.976 -10.702 11.829 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 8.566 -10.362 12.629 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 8.276 -10.702 11.179 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 -13.221 -13.680 18.697 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 -13.791 -13.330 19.377 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 -13.091 -12.950 18.097 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -9.468 -8.041 -11.359 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -8.878 -8.801 -11.379 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -9.698 -7.891 -12.279 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -11.879 6.978 -6.010 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -11.829 7.908 -6.190 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -11.039 6.768 -5.600 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 2.087 -0.246 -24.176 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 2.097 -0.616 -23.296 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 2.527 0.594 -24.086 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 18.905 -6.004 -6.360 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 18.015 -5.704 -6.570 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 19.445 -5.224 -6.470 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 10.493 2.785 -18.939 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 11.273 2.235 -18.859 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 10.763 3.635 -18.599 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 -17.313 7.876 13.299 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 -17.713 8.376 14.019 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 -17.573 8.356 12.509 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 24.963 4.722 -20.117 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 24.103 4.382 -19.887 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 25.243 4.182 -20.857 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 23.191 -14.591 -16.370 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 23.340 -14.181 -17.220 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 24.061 -14.631 -15.960 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -13.947 -20.730 10.973 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -14.317 -20.600 10.093 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -13.057 -20.380 10.913 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 22.843 -20.701 -23.687 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 22.633 -20.421 -24.577 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 23.233 -21.571 -23.787 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 25.083 12.937 -6.286 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 24.143 13.067 -6.196 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 25.263 13.127 -7.206 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 -19.171 14.628 -18.301 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 -19.311 15.328 -17.661 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 -18.661 15.038 -19.001 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 5.665 11.185 18.067 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 5.445 10.275 18.277 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 5.065 11.415 17.357 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 -3.542 -10.098 -19.746 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 -4.252 -10.648 -20.076 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 -2.762 -10.398 -20.216 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 16.308 12.679 7.361 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 16.788 12.959 6.581 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 16.738 11.859 7.621 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 25.381 3.838 18.804 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 25.341 4.738 18.494 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 24.651 3.408 18.354 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 16.465 -19.553 -16.416 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 17.215 -20.123 -16.236 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 16.405 -18.993 -15.646 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 -2.608 15.623 -3.765 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 -2.948 15.003 -3.115 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 -2.428 16.413 -3.255 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 6.391 -17.856 -0.091 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 5.461 -17.946 0.129 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 6.821 -18.536 0.419 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 -16.061 0.911 -1.387 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 -15.471 0.671 -0.667 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 -16.521 0.101 -1.597 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 -17.222 4.744 18.035 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 -17.542 3.844 18.095 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 -16.412 4.674 17.525 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 11.248 1.933 9.796 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 10.898 1.763 10.676 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 11.268 2.883 9.726 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 -14.526 -7.344 -11.443 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 -14.336 -6.634 -12.063 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 -15.246 -7.014 -10.903 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 -24.457 18.659 10.175 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 -23.537 18.619 10.445 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 -24.447 18.339 9.275 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -0.235 8.156 1.909 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 0.495 8.536 2.389 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -0.125 8.466 1.009 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 -6.744 19.095 19.788 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 -6.454 19.465 20.618 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 -6.174 19.495 19.138 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 25.158 23.301 15.997 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 24.258 23.581 16.177 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 25.098 22.351 15.897 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 2.804 -2.050 -0.726 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 2.034 -1.540 -0.956 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 3.314 -2.100 -1.536 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -18.691 -8.926 -20.796 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -18.451 -8.556 -19.946 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -19.641 -8.826 -20.846 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 16.515 22.320 -22.895 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 17.455 22.470 -23.005 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 16.395 22.230 -21.955 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 3.377 -13.222 20.936 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 4.247 -13.272 20.536 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 3.417 -12.452 21.506 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 24.113 9.698 6.676 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 23.603 10.348 7.166 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 23.493 9.358 6.016 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 23.026 -10.037 -4.310 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 23.506 -10.857 -4.420 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 23.286 -9.717 -3.450 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 8.631 -5.465 -3.418 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 8.371 -6.155 -4.028 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 7.801 -5.125 -3.078 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 14.098 -8.421 -1.118 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 13.328 -7.851 -1.098 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 13.758 -9.291 -0.918 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 -4.058 24.766 6.320 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 -3.788 25.236 7.110 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 -3.668 23.896 6.410 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 13.442 -2.439 10.082 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 14.292 -2.799 10.332 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 13.412 -1.579 10.502 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 -13.214 1.929 3.702 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 -12.674 2.449 3.102 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 -14.094 1.989 3.342 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -22.601 8.952 20.772 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -21.841 9.342 21.222 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -22.571 8.032 21.012 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -14.846 2.798 -25.131 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -14.616 2.248 -24.371 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -15.766 3.018 -24.991 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 7.223 21.574 21.615 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 6.733 21.514 20.805 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 6.573 21.854 22.265 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 2.192 -11.126 8.691 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 2.802 -10.546 8.241 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 2.572 -11.246 9.561 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 0.351 -20.527 -20.434 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 0.211 -19.677 -20.024 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -0.069 -20.447 -21.294 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 0.983 18.552 4.979 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 1.913 18.682 5.149 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 0.873 17.602 5.009 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -6.315 -3.059 -9.700 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -7.265 -2.909 -9.760 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -5.925 -2.399 -10.270 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 -24.567 -5.098 5.752 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 -25.067 -5.378 6.512 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 -24.857 -5.688 5.052 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 -3.014 -8.116 -0.544 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 -3.484 -7.296 -0.374 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 -3.584 -8.796 -0.174 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 23.701 -1.636 6.337 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 24.270 -1.696 5.577 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 22.821 -1.816 5.997 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 13.972 15.024 23.664 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 13.292 15.694 23.714 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 14.372 15.024 24.534 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 18.086 -4.285 -22.214 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 17.426 -4.725 -22.754 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 18.416 -4.975 -21.644 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 5.939 1.377 11.856 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 6.159 1.117 12.746 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 5.859 2.337 11.906 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 15.811 11.572 2.822 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 16.341 11.962 3.512 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 16.391 10.922 2.412 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 -0.916 6.949 -14.137 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 -0.316 6.729 -14.847 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 -0.376 7.409 -13.497 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 -9.422 -15.059 10.576 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 -10.222 -14.899 10.076 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 -9.082 -14.189 10.766 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 -16.097 -4.103 -18.001 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 -15.177 -4.003 -18.281 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 -16.597 -3.653 -18.671 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 -2.703 16.348 -22.973 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 -2.313 17.198 -23.163 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 -3.603 16.418 -23.303 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 -8.864 -18.646 24.726 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 -9.574 -18.006 24.796 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 -9.134 -19.356 25.306 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 13.996 -3.695 -1.173 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 13.856 -3.405 -2.073 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 14.556 -4.475 -1.263 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 -7.467 22.059 -12.557 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 -8.327 22.469 -12.577 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 -7.367 21.679 -13.437 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 -11.919 -17.548 -2.354 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 -12.419 -18.198 -2.854 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 -12.469 -17.368 -1.584 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 6.386 -20.802 14.960 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 6.586 -20.962 15.880 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 6.006 -19.922 14.940 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 -12.577 22.444 -18.591 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 -13.317 22.024 -19.021 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 -11.857 21.834 -18.711 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 18.262 19.959 16.856 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 18.682 20.019 15.996 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 18.982 20.059 17.486 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 10.852 2.198 -7.262 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 10.642 1.288 -7.442 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 11.762 2.188 -6.992 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 1.053 12.837 18.295 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 1.073 13.347 19.105 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 0.693 13.437 17.635 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 -22.087 -4.388 24.025 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 -22.967 -4.438 23.675 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 -21.937 -5.238 24.435 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -15.038 13.153 -3.008 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -14.198 12.903 -2.638 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -15.558 13.453 -2.268 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 3.112 -18.281 -20.834 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 2.262 -18.381 -20.414 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 3.112 -18.951 -21.524 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 14.379 1.869 8.730 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 14.709 2.579 9.270 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 13.909 1.299 9.340 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 -11.387 -20.627 -12.844 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 -10.997 -21.277 -13.424 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 -11.987 -20.127 -13.404 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 22.944 -5.925 -5.360 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 23.314 -6.665 -5.850 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 22.064 -6.215 -5.100 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -23.817 5.571 6.372 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -23.607 5.291 7.272 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -23.137 6.211 6.162 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 2.403 -9.176 25.039 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 3.343 -9.076 24.889 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 2.013 -8.386 24.649 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 8.074 -1.988 -3.044 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 8.944 -2.128 -3.434 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 7.494 -2.538 -3.574 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 -21.358 22.815 10.835 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 -21.568 23.695 11.135 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 -21.548 22.825 9.895 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 11.571 -11.353 11.488 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 11.451 -11.743 12.348 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 10.691 -11.093 11.208 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -19.095 -20.778 -3.321 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -19.625 -21.418 -2.841 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -18.255 -20.758 -2.861 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -6.787 -8.743 -9.382 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -7.637 -8.313 -9.322 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -6.187 -8.033 -9.622 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 -6.086 -25.157 -16.403 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 -5.946 -24.247 -16.653 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 -5.966 -25.157 -15.453 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 4.416 -14.213 -14.215 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 3.736 -13.843 -13.655 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 4.206 -13.893 -15.085 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 12.229 9.212 2.536 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 11.609 9.932 2.446 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 13.049 9.632 2.816 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 -11.888 -4.719 -0.614 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 -12.628 -4.159 -0.394 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 -12.178 -5.209 -1.384 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 -6.259 25.471 -7.546 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 -6.760 24.651 -7.466 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 -6.109 25.571 -8.476 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 -8.844 -19.802 18.667 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 -9.534 -19.382 18.147 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 -9.314 -20.332 19.307 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 -13.346 -23.114 -13.238 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 -12.876 -22.814 -12.458 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 -12.666 -23.494 -13.798 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 9.913 17.939 -7.837 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 9.153 17.749 -8.397 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 9.533 18.359 -7.067 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 14.067 21.606 -17.147 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 14.657 21.486 -16.397 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 13.357 20.976 -16.987 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 15.602 6.836 18.822 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 14.712 7.046 18.542 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 16.022 6.456 18.052 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 0.651 -17.411 8.325 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 0.591 -17.981 7.555 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 -0.079 -17.671 8.875 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -10.772 -3.178 2.443 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -11.492 -3.528 2.963 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -10.452 -2.428 2.953 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 -11.719 -8.724 -1.177 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 -11.339 -9.604 -1.227 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 -11.369 -8.274 -1.947 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 3.477 3.076 -13.941 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 3.777 3.976 -13.791 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 2.807 3.166 -14.631 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -12.567 -7.747 7.802 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -13.097 -7.977 8.572 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -11.747 -7.427 8.162 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 18.303 -16.284 -15.349 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 18.713 -15.594 -14.829 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 18.333 -15.954 -16.249 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 14.989 16.514 8.099 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 14.899 15.634 8.479 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 15.909 16.744 8.239 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -4.949 9.035 4.546 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -5.209 9.495 5.346 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -5.239 8.125 4.686 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 20.405 -20.708 22.042 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 21.355 -20.828 22.122 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 20.155 -20.248 22.842 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 21.874 16.934 23.026 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 21.614 16.334 23.726 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 22.684 17.324 23.336 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 -17.767 -22.944 15.821 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 -17.297 -22.964 14.981 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 -17.447 -22.144 16.241 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 21.799 -5.759 5.055 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 22.139 -6.129 5.875 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 22.489 -5.159 4.765 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 -24.699 4.254 -22.728 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 -23.959 4.454 -22.148 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 -24.289 3.834 -23.488 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 15.518 -6.068 -1.619 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 15.028 -6.868 -1.399 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 16.418 -6.358 -1.709 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 4.417 -25.233 -24.759 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 4.037 -24.473 -25.199 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 3.767 -25.473 -24.099 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 -0.306 25.136 1.906 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 -0.536 24.496 2.586 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 0.604 25.356 2.086 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 9.631 -6.390 -13.215 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 9.131 -5.770 -12.685 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 10.471 -6.470 -12.765 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 17.477 17.253 -13.334 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 17.137 16.423 -13.664 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 16.697 17.723 -13.024 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 -23.394 -13.758 15.785 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 -22.664 -14.368 15.845 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 -22.994 -12.908 15.605 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 -23.116 1.332 6.572 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 -22.356 1.392 7.152 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 -22.876 1.852 5.802 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 10.168 19.536 11.341 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 11.028 19.136 11.341 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 10.278 20.336 11.861 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -16.907 20.567 23.113 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -17.137 19.897 23.763 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -16.627 20.067 22.343 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 -11.823 24.381 20.628 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 -11.573 24.791 19.808 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 -11.403 23.521 20.608 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 13.853 12.765 22.166 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 13.713 13.295 21.376 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 14.113 13.395 22.836 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 -1.093 -10.362 -21.368 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 -1.153 -10.102 -22.288 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 -0.373 -9.832 -21.018 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 -21.814 -10.113 -22.734 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 -22.574 -9.583 -22.964 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 -22.184 -10.933 -22.414 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -9.525 -3.094 -12.391 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -10.025 -2.284 -12.281 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -9.925 -3.514 -13.151 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 -25.336 9.799 24.344 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 -25.046 10.479 24.954 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 -24.556 9.609 23.824 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 2.056 10.282 -16.516 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 2.736 10.952 -16.646 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 1.256 10.792 -16.356 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 -5.132 -22.233 -17.172 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 -5.732 -21.543 -16.892 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 -5.092 -22.153 -18.122 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 23.467 -22.387 -15.097 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 23.227 -23.268 -15.377 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 24.267 -22.498 -14.587 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 18.113 23.106 -15.762 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 18.043 23.566 -14.922 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 17.213 22.876 -15.982 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 -11.061 0.163 13.746 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 -11.411 0.953 14.166 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 -10.451 -0.197 14.396 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -15.603 2.449 17.053 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -15.263 1.579 16.833 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -15.863 2.379 17.963 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 24.148 13.551 5.178 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 23.788 13.621 6.068 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 23.498 13.041 4.698 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -22.709 -15.344 -22.105 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -22.539 -14.724 -21.395 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -22.109 -16.074 -21.945 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 18.616 12.430 -22.025 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 17.726 12.350 -22.355 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 18.736 11.660 -21.465 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -15.158 -2.761 -23.497 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -14.278 -2.411 -23.627 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -15.138 -3.621 -23.907 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 -22.509 13.430 24.057 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 -21.889 13.740 23.407 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 -22.079 13.590 24.897 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 17.773 11.047 12.292 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 17.343 11.897 12.332 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 18.503 11.117 12.912 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 6.897 0.709 14.183 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 7.217 0.899 15.073 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 6.937 -0.241 14.113 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 1.604 15.530 14.744 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 1.074 14.830 15.124 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 1.994 15.970 15.504 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 -20.211 -22.314 -22.482 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 -19.841 -22.974 -23.082 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 -20.821 -21.814 -23.022 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 13.831 -15.284 17.348 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 13.791 -16.234 17.438 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 14.631 -15.034 17.808 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 20.063 23.241 17.166 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 19.423 23.771 16.666 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 19.633 23.091 18.006 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 7.093 -20.740 9.974 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 7.753 -20.690 9.284 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 6.353 -20.240 9.644 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 23.237 16.174 -6.156 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 23.747 16.154 -5.346 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 23.097 15.254 -6.376 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 -0.734 -9.876 -12.873 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 -0.164 -10.566 -13.193 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 -1.004 -9.396 -13.653 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 12.218 4.521 10.514 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 12.758 3.991 9.924 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 12.798 5.201 10.834 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 -4.688 -10.789 -0.255 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 -4.338 -10.999 -1.125 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 -5.528 -11.249 -0.225 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 19.727 12.518 6.021 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 19.987 13.058 6.771 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 20.307 12.788 5.311 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 6.400 -9.788 18.819 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 6.141 -8.928 19.139 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 6.740 -10.238 19.599 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 -20.059 5.010 18.943 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 -19.129 5.150 19.143 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 -20.079 4.200 18.433 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 10.717 -7.803 1.960 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 11.197 -7.853 2.780 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 9.827 -7.573 2.220 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 13.818 20.643 3.804 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 14.408 19.913 3.644 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 13.738 20.693 4.754 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 -16.661 -17.416 -19.697 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 -16.921 -17.626 -18.797 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 -16.941 -18.186 -20.207 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 3.873 11.802 24.401 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 3.983 12.712 24.121 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 4.703 11.582 24.821 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 -10.405 -2.294 5.332 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 -10.125 -3.204 5.402 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 -9.745 -1.794 5.822 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 23.649 -1.041 12.462 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 23.489 -1.451 13.322 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 23.579 -1.771 11.842 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 10.789 8.862 -18.877 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 11.059 8.122 -18.347 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 10.929 9.622 -18.317 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 -18.217 24.331 8.401 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 -18.127 24.801 9.231 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 -18.527 23.461 8.641 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 21.858 5.700 -21.860 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 21.848 4.750 -21.730 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 22.138 6.060 -21.020 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 -18.587 7.737 -14.852 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 -18.227 8.567 -15.172 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 -18.307 7.097 -15.492 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 7.588 -9.366 13.696 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 7.358 -8.506 14.046 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 7.728 -9.916 14.466 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 24.522 -12.428 20.473 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 24.592 -11.478 20.363 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 25.162 -12.638 21.143 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 -20.601 16.881 -20.090 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 -21.471 16.531 -20.300 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 -20.771 17.571 -19.450 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 13.982 17.108 -12.561 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 13.542 16.638 -13.261 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 13.322 17.718 -12.231 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 -24.606 -5.268 23.936 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 -24.396 -6.118 24.316 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 -25.396 -4.978 24.396 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 8.416 -15.639 10.804 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 7.806 -14.899 10.814 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 8.726 -15.679 9.904 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 4.508 14.042 13.964 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 4.878 14.212 13.104 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 3.698 14.542 13.994 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 -20.535 -22.961 14.755 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 -20.655 -22.021 14.605 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 -19.755 -23.021 15.305 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 22.979 -17.565 -12.591 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 22.269 -17.785 -13.181 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 22.739 -17.965 -11.761 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 4.003 -15.837 -2.435 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 3.823 -16.387 -1.665 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 4.753 -16.257 -2.855 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -18.625 -20.828 -16.213 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -19.185 -20.428 -15.553 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -19.225 -21.218 -16.843 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 -18.366 15.495 -20.938 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 -17.606 16.005 -21.208 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 -19.026 16.145 -20.688 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 -3.299 2.690 11.852 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 -4.129 2.370 11.482 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 -2.639 2.430 11.202 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 -23.058 6.517 -6.581 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 -22.808 7.407 -6.321 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 -22.358 6.227 -7.161 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 -12.442 11.439 23.945 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 -13.332 11.759 24.085 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 -12.282 10.869 24.705 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 22.087 6.819 -14.953 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 21.707 7.529 -15.463 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 22.537 6.269 -15.593 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 -8.536 5.773 3.828 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 -9.056 5.813 4.628 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 -8.906 6.463 3.278 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 -0.365 -17.218 20.008 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 -0.415 -16.378 20.458 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 -1.035 -17.758 20.428 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -9.076 11.800 -8.853 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -9.236 10.950 -8.423 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -9.876 11.970 -9.343 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 -15.713 -20.989 -12.114 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 -15.443 -20.339 -11.464 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 -14.893 -21.299 -12.504 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 8.643 -15.180 4.068 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 9.143 -14.660 3.438 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 8.113 -15.750 3.518 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 -14.183 21.353 2.942 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 -14.273 20.473 3.302 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 -14.613 21.923 3.582 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 -20.761 -0.598 6.043 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 -21.291 0.172 6.263 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 -21.291 -1.338 6.343 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 21.584 13.372 -19.520 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 21.804 13.702 -18.650 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 22.214 12.662 -19.670 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 -7.496 0.022 2.710 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 -7.566 0.482 1.870 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 -7.836 -0.858 2.540 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 19.058 -7.669 17.360 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 19.538 -8.389 17.780 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 18.388 -7.429 17.990 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 -6.600 13.472 -2.482 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 -6.730 14.322 -2.902 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 -6.389 13.682 -1.572 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 6.944 -21.251 -0.779 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 7.114 -20.831 0.061 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 6.804 -22.171 -0.559 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 -20.707 24.726 -22.334 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 -20.837 24.706 -21.384 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 -20.557 23.806 -22.564 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 4.325 12.355 20.312 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 4.755 13.115 19.932 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 4.255 11.725 19.582 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 20.272 -9.148 -17.530 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 20.062 -8.558 -16.800 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 19.992 -8.668 -18.310 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 -4.602 22.629 -6.007 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 -4.202 23.499 -6.007 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 -3.852 22.029 -5.947 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 8.479 -19.596 -9.625 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 8.819 -19.996 -8.825 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 9.189 -19.016 -9.915 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 0.354 6.875 15.940 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 -0.056 6.195 16.470 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 -0.126 6.855 15.110 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 2.733 -11.936 -2.078 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 2.013 -11.456 -1.658 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 3.063 -11.336 -2.748 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -16.123 -0.784 -14.920 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -16.963 -0.344 -15.060 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -15.573 -0.124 -14.510 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 25.414 24.184 6.871 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 24.524 24.524 6.871 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 25.414 23.504 7.551 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 -13.337 -18.302 13.333 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 -12.427 -17.992 13.363 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 -13.267 -19.262 13.313 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 22.882 22.156 4.111 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 23.042 22.046 3.181 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 22.902 21.276 4.471 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 -18.173 -20.942 3.103 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 -17.833 -21.842 3.113 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 -17.473 -20.422 2.713 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 23.108 12.940 14.101 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 23.258 12.850 15.041 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 22.338 12.390 13.931 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 -21.084 -15.708 21.863 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 -20.714 -16.007 21.033 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 -21.894 -15.268 21.623 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 -1.018 -17.973 -13.284 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 -0.938 -18.923 -13.244 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 -1.448 -17.733 -12.464 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 -16.276 0.066 -20.887 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 -16.596 -0.804 -20.637 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 -17.026 0.496 -21.277 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 3.921 -21.192 8.639 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 3.371 -20.502 8.269 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 3.451 -21.482 9.419 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 25.208 13.674 22.787 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 24.678 12.934 23.067 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 24.578 14.364 22.577 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 3.089 -20.904 -19.616 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 2.139 -20.834 -19.586 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 3.279 -21.184 -20.516 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 7.283 21.907 15.094 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 7.973 22.207 15.694 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 6.483 22.307 15.434 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 -0.065 -9.220 -1.490 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 -0.765 -8.990 -0.880 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 0.685 -9.440 -0.920 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -18.406 21.583 -23.090 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -18.226 21.103 -22.280 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -18.946 20.993 -23.610 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 9.853 -2.387 -5.271 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 10.383 -1.947 -5.931 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 9.043 -2.617 -5.731 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 13.925 18.119 -7.051 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 14.045 18.049 -6.101 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 14.145 17.239 -7.381 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 -1.846 -20.877 10.446 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 -1.186 -21.567 10.516 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 -2.346 -20.947 11.256 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 3.413 17.093 25.122 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 3.323 17.463 24.242 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 3.953 17.723 25.592 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 -6.247 9.058 -22.037 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 -5.807 9.768 -22.497 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 -6.327 8.358 -22.687 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -20.308 -7.563 9.573 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -20.118 -8.273 10.173 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -19.638 -6.903 9.753 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 3.176 20.489 -22.614 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 3.356 21.099 -23.334 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 2.306 20.139 -22.804 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 5.482 0.459 1.336 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 6.242 0.259 0.786 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 5.782 0.269 2.226 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 21.453 3.461 -10.650 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 22.123 3.401 -11.330 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 21.343 2.561 -10.340 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 -2.561 24.602 0.416 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 -2.321 24.402 -0.494 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 -1.721 24.772 0.846 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -12.082 15.140 14.817 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -12.722 14.800 15.447 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -11.232 14.970 15.227 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 21.903 0.978 -3.362 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 22.633 0.598 -2.862 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 22.073 0.738 -4.272 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 -5.115 22.854 -10.547 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 -5.575 22.444 -11.287 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 -5.025 22.144 -9.907 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 7.828 16.334 -13.348 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 7.898 15.884 -14.198 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 8.598 16.054 -12.868 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 23.722 9.285 -13.756 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 24.322 8.655 -13.356 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 22.862 8.845 -13.746 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 21.587 17.084 -9.095 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 21.907 16.624 -9.865 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 21.967 16.604 -8.355 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 16.871 -16.426 -1.541 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 17.121 -15.996 -2.361 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 16.201 -17.056 -1.791 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 18.328 9.990 -12.318 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 17.798 9.850 -13.108 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 17.698 9.980 -11.598 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 12.743 -24.827 -18.501 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 11.993 -25.027 -17.941 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 12.593 -23.927 -18.781 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 -2.124 -23.357 -20.483 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 -1.344 -23.387 -21.043 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 -2.624 -22.617 -20.823 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 -17.934 -16.087 -10.673 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 -18.834 -16.317 -10.923 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 -17.834 -15.187 -10.983 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 2.473 -18.939 3.528 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 1.843 -19.619 3.308 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 1.953 -18.259 3.958 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 1.746 -1.487 -11.719 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 0.956 -0.958 -11.609 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 2.286 -0.988 -12.329 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 -3.631 24.821 22.570 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 -3.081 24.601 21.820 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 -4.511 24.521 22.320 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 7.125 -6.243 -25.457 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 8.055 -6.113 -25.287 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 6.685 -5.793 -24.737 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -14.879 -8.451 -14.895 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -15.039 -7.711 -14.305 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -14.199 -8.961 -14.455 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -10.845 19.507 13.830 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -11.695 19.277 13.450 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -10.205 19.187 13.190 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 8.134 6.452 8.488 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 8.554 7.032 7.858 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 8.554 6.672 9.318 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -5.167 -7.348 -15.754 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -4.467 -6.738 -15.534 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -4.957 -8.138 -15.244 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 24.775 -24.256 15.150 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 25.325 -25.046 15.140 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 24.035 -24.486 14.600 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -20.354 -6.888 -15.252 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -20.424 -7.678 -15.782 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -20.704 -7.148 -14.392 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 0.109 1.116 -4.827 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 -0.301 1.856 -4.387 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 -0.621 0.566 -5.127 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 19.555 -0.367 16.003 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 19.565 0.593 16.013 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 18.855 -0.597 16.613 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 -1.315 -7.504 8.360 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 -1.815 -7.804 7.590 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 -0.485 -7.184 8.000 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 20.042 20.867 -10.724 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 19.722 19.987 -10.554 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 20.442 20.817 -11.594 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 9.008 -6.417 8.278 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 8.838 -5.597 8.748 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 9.808 -6.237 7.778 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -5.268 -23.786 -5.388 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -5.858 -24.116 -6.068 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -5.398 -22.836 -5.408 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 -16.121 8.481 -17.083 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 -16.941 8.001 -17.173 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 -15.671 8.061 -16.363 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 20.717 -11.808 -16.208 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 20.237 -10.988 -16.318 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 20.237 -12.278 -15.528 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 13.075 -0.111 14.777 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 13.365 0.769 14.497 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 12.935 -0.031 15.717 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 11.095 -22.030 -3.417 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 11.225 -22.260 -4.337 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 10.935 -22.870 -2.977 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 -11.262 -7.398 -23.634 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 -10.832 -8.168 -23.254 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 -12.172 -7.658 -23.744 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 -10.385 -19.548 -16.798 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -9.875 -18.788 -16.518 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 -11.215 -19.188 -17.098 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -23.385 -13.577 -3.413 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -23.635 -12.827 -2.883 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -22.865 -14.127 -2.823 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 23.658 7.419 -7.330 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 24.408 7.989 -7.200 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 23.258 7.729 -8.150 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 25.139 -0.802 9.010 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 25.649 -0.412 8.300 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 24.229 -0.752 8.700 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.364 18.732 -1.349 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -16.734 18.232 -0.829 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.994 18.072 -1.659 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 6.228 -13.302 3.799 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 7.118 -13.562 3.589 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 5.678 -13.922 3.319 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -15.059 -10.745 -11.887 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -14.199 -11.115 -12.097 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -14.880 -9.835 -11.637 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 -1.684 -17.851 -7.672 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 -2.404 -18.421 -7.942 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 -1.314 -18.281 -6.892 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 -16.661 24.015 4.878 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 -16.941 24.525 4.128 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 -16.201 24.635 5.438 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 -17.713 2.168 21.401 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 -18.253 2.958 21.341 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 -17.813 1.888 22.311 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 -18.218 -0.021 0.890 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 -18.818 -0.721 0.630 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 -18.288 0.009 1.850 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 23.481 0.412 20.143 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 24.161 0.622 19.493 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 23.601 -0.518 20.323 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 20.238 15.162 -4.611 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 19.828 15.642 -5.331 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 21.088 15.592 -4.501 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 17.083 -21.499 12.753 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 17.433 -20.839 12.143 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 17.863 -21.929 13.103 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 -4.371 -1.130 7.075 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 -4.821 -1.970 7.145 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 -4.951 -0.510 7.515 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 -4.418 22.305 -14.708 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 -4.578 21.385 -14.508 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 -3.658 22.295 -15.278 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 9.877 -0.790 10.833 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 9.917 -0.030 11.413 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 10.417 -0.550 10.073 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 23.648 -21.659 7.389 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 23.618 -21.499 6.449 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 24.458 -21.249 7.679 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 -22.506 9.410 -9.684 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 -22.416 8.710 -10.324 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 -21.866 9.190 -9.004 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 23.588 -10.821 6.613 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 22.698 -10.531 6.393 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 23.498 -11.761 6.763 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 -4.856 14.413 -24.705 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 -4.416 15.243 -24.855 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 -5.156 14.453 -23.795 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 -22.696 5.629 -15.753 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 -22.926 6.559 -15.813 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 -22.366 5.419 -16.633 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 9.966 -23.442 -5.962 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 9.516 -24.292 -5.882 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 9.706 -23.112 -6.822 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 9.366 -13.265 2.366 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 9.756 -13.845 1.706 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 9.056 -12.505 1.866 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 18.779 2.030 -6.703 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 18.649 2.150 -7.643 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 18.549 2.880 -6.323 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 -18.964 7.495 6.353 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 -18.624 8.365 6.163 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 -19.574 7.625 7.083 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 -5.483 -20.498 6.050 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 -6.343 -20.798 6.330 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 -5.013 -20.308 6.860 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 5.968 24.282 -16.679 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 5.818 24.822 -17.459 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 5.088 23.982 -16.429 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 -11.207 13.956 -25.203 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 -11.597 13.336 -25.813 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 -11.107 13.466 -24.383 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 13.075 7.682 4.679 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 12.585 8.022 3.929 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 12.825 6.752 4.729 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 1.008 5.622 -24.371 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 0.198 5.402 -24.831 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 0.728 6.162 -23.631 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 1.314 -11.499 23.742 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 1.254 -11.379 22.792 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 1.684 -10.679 24.062 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 20.224 -24.350 -22.884 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 20.684 -24.300 -23.724 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 20.074 -23.440 -22.634 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 -19.687 10.141 17.643 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 -19.287 9.441 18.153 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 -19.117 10.901 17.783 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 9.222 12.305 -1.191 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 8.522 11.645 -1.241 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 9.032 12.905 -1.911 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -17.695 23.742 -9.309 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -16.935 23.422 -9.789 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -17.455 23.662 -8.389 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 -19.602 17.065 2.761 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 -19.732 18.015 2.871 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 -20.252 16.675 3.351 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 -0.122 -19.150 -23.267 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 -0.612 -18.370 -22.997 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 -0.162 -19.130 -24.227 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 18.062 1.104 19.380 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 17.772 0.604 18.620 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 18.932 1.414 19.150 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 11.695 22.766 -3.060 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 10.825 23.066 -2.830 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 11.935 22.156 -2.370 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 -16.135 10.547 -8.089 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 -16.935 10.047 -8.229 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 -15.545 9.957 -7.629 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 -14.102 0.762 7.770 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 -13.642 0.342 7.040 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 -14.842 0.182 7.950 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 -3.593 -10.692 -23.120 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 -3.393 -11.362 -22.470 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 -4.523 -10.802 -23.300 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 10.311 4.249 -9.614 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 9.901 4.889 -9.034 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 11.000 3.849 -9.084 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -14.097 10.251 -2.543 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -14.867 10.811 -2.653 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -14.337 9.421 -2.953 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -10.292 -5.017 -10.717 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -10.082 -4.157 -11.087 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -9.582 -5.587 -11.017 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 -4.183 -24.636 8.786 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 -5.083 -24.786 9.076 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 -3.643 -24.906 9.526 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 13.116 -4.776 -8.872 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 13.386 -3.866 -8.942 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 12.406 -4.766 -8.232 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 -24.931 -11.009 -2.764 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 -24.571 -11.019 -3.654 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 -24.191 -10.799 -2.204 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 -16.041 6.989 -13.310 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 -16.091 7.949 -13.230 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 -15.271 6.839 -13.860 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 7.697 -21.999 -16.747 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 7.617 -21.959 -15.797 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 6.837 -21.739 -17.077 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 6.055 23.395 -23.504 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 5.395 23.895 -23.984 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 6.375 24.005 -22.844 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 2.641 8.365 -22.341 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 3.240 8.415 -21.601 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 2.101 9.145 -22.271 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 -24.061 8.863 11.507 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 -24.101 9.803 11.367 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 -24.701 8.503 10.887 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 -12.167 -6.935 -6.817 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 -12.137 -6.365 -7.587 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 -11.447 -6.625 -6.267 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 15.707 -21.182 -1.585 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 15.917 -22.122 -1.595 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 16.557 -20.742 -1.595 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 -19.823 -24.118 -24.828 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 -18.933 -24.488 -24.788 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 -20.393 -24.878 -24.868 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -4.488 -16.850 -24.208 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -5.068 -16.180 -23.858 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -4.868 -17.080 -25.048 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 -23.667 1.869 11.247 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 -23.267 1.089 10.877 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 -24.137 2.269 10.517 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 25.048 -23.292 -10.864 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 25.508 -22.972 -10.094 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 24.118 -23.202 -10.644 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 1.021 0.178 1.179 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 1.600 0.928 1.009 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 1.610 -0.522 1.439 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 -16.361 18.699 2.232 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 -16.871 17.929 2.462 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 -16.771 19.419 2.712 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 22.099 6.285 16.626 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 22.749 5.685 16.276 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 22.479 7.155 16.506 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 5.289 23.008 12.813 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 4.619 22.318 12.763 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 6.029 22.578 13.233 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 17.029 3.565 -1.762 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 16.709 3.605 -2.662 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 17.889 3.155 -1.832 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 -17.312 -22.860 -1.946 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 -17.712 -23.630 -2.336 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 -16.372 -22.950 -2.136 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 8.787 -4.006 0.511 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 9.647 -3.656 0.311 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 8.197 -3.246 0.471 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -0.407 -21.227 -16.792 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -0.857 -20.717 -17.462 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 0.413 -20.757 -16.642 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 -15.582 0.038 1.176 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 -15.402 -0.692 1.776 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 -16.512 -0.042 0.966 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 -7.573 -11.251 14.695 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 -8.023 -10.771 15.385 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 -6.643 -11.041 14.825 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -5.218 12.872 11.333 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -5.228 13.832 11.293 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -5.378 12.672 12.253 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 -15.968 -1.942 -6.552 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 -15.348 -1.992 -7.282 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 -15.508 -2.352 -5.822 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 7.704 24.832 10.873 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 8.514 25.282 10.653 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 7.424 25.232 11.693 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -5.134 -1.022 -11.211 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -5.454 -1.372 -12.041 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -4.954 -0.102 -11.391 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 8.874 -23.051 -10.587 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 9.334 -23.821 -10.237 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 8.164 -23.421 -11.117 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 -13.793 -6.326 22.718 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 -14.153 -6.636 21.888 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 -13.693 -7.116 23.248 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 -5.192 -12.894 19.266 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 -4.502 -12.344 18.896 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 -4.762 -13.744 19.426 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 -16.778 -16.518 -13.203 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 -16.978 -16.418 -12.273 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 -17.058 -15.678 -13.593 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 11.581 5.562 -20.717 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 11.561 6.112 -21.507 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 12.511 5.482 -20.497 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 -19.432 17.223 21.551 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 -19.922 17.743 20.911 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 -18.602 17.023 21.111 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 -15.414 19.980 20.703 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 -14.814 20.440 21.283 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 -15.884 20.670 20.243 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 -3.616 -15.608 -9.454 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 -4.426 -15.808 -8.974 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 -2.956 -16.158 -9.044 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 -15.202 22.480 0.832 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 -15.592 23.220 1.302 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 -14.792 21.940 1.512 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 -6.983 -16.649 13.091 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 -6.733 -15.879 13.611 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 -6.223 -17.219 13.141 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 -5.202 16.689 -2.234 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 -4.442 17.149 -2.574 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 -5.952 17.189 -2.564 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 -8.266 11.653 -21.214 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 -8.046 10.773 -20.904 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 -8.846 11.503 -21.964 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 7.835 -4.454 -11.101 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 7.605 -4.684 -10.201 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 6.995 -4.404 -11.551 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 20.815 10.478 -3.417 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 20.625 10.988 -2.627 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 21.765 10.538 -3.507 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 -3.064 -23.267 17.952 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 -3.974 -23.097 17.702 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 -2.654 -22.397 17.962 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 3.349 5.303 -1.986 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 2.399 5.223 -1.906 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 3.499 6.243 -2.146 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 -20.141 -5.836 2.361 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 -20.521 -6.596 2.811 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 -20.731 -5.676 1.631 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -12.736 6.455 13.954 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -12.526 5.905 13.194 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -13.486 6.975 13.664 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 -18.005 -7.289 -22.725 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 -18.455 -6.999 -21.935 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 -17.465 -8.029 -22.435 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 11.685 -2.021 18.602 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 11.945 -2.941 18.672 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 11.495 -1.761 19.512 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 -24.824 5.547 3.604 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 -24.394 5.527 4.464 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 -24.114 5.497 2.974 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 3.045 -5.358 -25.250 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 2.435 -5.717 -24.600 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 3.905 -5.488 -24.860 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 18.386 10.179 5.890 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 18.686 11.069 6.040 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 19.126 9.739 5.480 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 1.071 15.802 -15.081 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 1.890 15.872 -15.571 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 1.101 16.552 -14.481 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 3.276 2.245 -24.648 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 3.336 2.515 -25.568 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 3.856 2.855 -24.188 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 10.781 3.726 23.613 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 9.881 3.616 23.313 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 10.770 4.546 24.113 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 -15.438 -20.669 -6.660 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 -15.918 -21.509 -6.640 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 -16.098 -20.019 -6.410 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 19.896 -1.147 10.722 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 19.076 -1.447 11.102 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 20.006 -0.247 11.052 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 17.407 -17.138 -9.457 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 18.267 -17.098 -9.887 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 16.817 -16.688 -10.067 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 -9.303 -14.017 -12.110 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 -8.393 -14.197 -11.880 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 -9.703 -14.887 -12.190 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 24.408 18.439 -11.092 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 24.868 18.309 -10.262 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 23.858 19.209 -10.942 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 15.269 1.959 -22.000 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 14.759 1.479 -22.650 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 15.009 2.869 -22.130 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 -21.199 -11.863 -11.947 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 -21.979 -11.483 -12.347 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 -21.459 -12.753 -11.697 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 19.239 4.380 -22.277 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 18.959 5.220 -22.637 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 20.119 4.260 -22.627 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 -9.137 -23.072 -18.512 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 -9.487 -23.012 -19.402 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 -8.367 -22.502 -18.522 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 -21.204 13.914 2.826 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 -20.924 14.674 3.336 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 -21.724 14.274 2.116 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -15.595 -10.755 -6.330 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -15.545 -11.305 -7.110 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -14.795 -10.225 -6.360 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 -10.418 -21.141 13.898 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 -10.218 -20.221 14.038 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 -11.318 -21.251 14.218 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 -23.336 -22.867 11.222 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 -23.986 -22.227 10.932 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 -22.736 -22.367 11.772 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 23.072 -0.805 2.667 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 23.872 -1.335 2.647 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 22.542 -1.195 3.357 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 11.011 19.396 -19.359 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 10.921 19.306 -18.409 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 11.300 20.296 -19.489 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 22.456 -10.252 10.883 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 21.616 -10.572 10.563 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 22.506 -10.572 11.783 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -7.062 15.278 -13.598 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -6.522 14.588 -13.978 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -6.482 15.718 -12.968 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 17.068 -17.729 -12.741 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 17.098 -17.759 -13.691 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 16.448 -17.029 -12.541 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 2.674 11.805 -23.493 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 3.064 11.775 -24.373 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 3.384 12.115 -22.933 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 -12.258 -19.018 -9.812 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 -13.148 -19.288 -9.622 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 -12.028 -19.458 -10.632 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 13.978 -1.123 21.706 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 14.808 -1.253 21.246 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 13.668 -0.273 21.406 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 10.715 -0.408 24.571 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 10.325 0.272 25.131 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 10.785 -1.178 25.131 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 17.815 -2.682 0.578 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 17.245 -2.522 -0.182 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 18.025 -3.612 0.528 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 -24.536 -10.863 3.953 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 -24.966 -10.443 4.693 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 -25.246 -11.333 3.503 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 21.897 22.473 -8.410 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 21.207 23.083 -8.140 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 21.917 21.813 -7.720 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 -22.201 10.443 6.802 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 -21.431 10.963 6.582 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 -22.901 10.823 6.282 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -13.078 -23.600 5.795 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -12.578 -24.290 6.245 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -13.918 -24.010 5.585 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 -2.068 -11.946 -15.545 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 -1.958 -12.306 -14.665 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 -2.758 -11.296 -15.455 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 17.536 0.227 0.257 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 17.736 -0.703 0.317 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 18.206 0.587 -0.323 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 -4.403 7.098 9.268 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 -4.403 7.368 10.188 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 -3.483 6.908 9.078 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 -6.245 12.390 16.186 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 -5.705 12.350 15.396 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 -7.145 12.400 15.866 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 -17.388 1.116 -24.447 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 -16.838 0.376 -24.187 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 -17.928 1.296 -23.677 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 12.118 6.928 -24.368 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 11.268 6.808 -23.938 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 12.438 6.038 -24.518 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 22.364 16.241 -0.105 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 21.644 15.711 0.225 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 23.154 15.781 0.185 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 17.556 -20.419 18.374 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 17.426 -20.219 19.294 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 16.946 -21.129 18.184 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 18.848 16.911 -9.168 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 19.768 17.151 -9.218 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 18.388 17.641 -9.588 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 6.257 10.737 12.999 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 6.517 11.367 13.679 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 5.377 10.457 13.259 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -2.204 12.940 18.026 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -3.164 12.970 18.076 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -2.004 13.150 17.116 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 2.286 -8.142 6.440 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 2.756 -7.802 7.200 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 1.506 -7.592 6.370 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 19.134 9.833 20.043 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 18.484 9.683 19.353 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 19.334 8.963 20.383 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -17.104 -6.091 -14.398 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -17.314 -6.471 -15.248 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -17.154 -5.151 -14.538 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -20.348 -9.753 -16.174 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -19.658 -10.023 -16.774 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -20.698 -10.563 -15.804 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 11.082 -17.909 24.644 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 10.142 -18.079 24.614 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 11.432 -18.609 25.194 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 20.501 -5.943 -8.985 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 19.641 -5.793 -8.595 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 21.041 -5.223 -8.665 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 20.415 -11.150 1.740 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 19.815 -11.820 2.070 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 21.035 -11.630 1.190 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 -7.118 -11.372 -23.868 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 -7.628 -12.092 -23.498 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 -7.018 -11.602 -24.798 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 15.799 -22.478 23.589 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 15.729 -23.128 24.289 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 14.929 -22.078 23.559 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 -5.339 9.660 18.859 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 -5.589 9.150 19.629 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 -4.389 9.550 18.789 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -22.163 24.531 -12.939 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -21.973 25.051 -12.159 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -21.773 23.671 -12.759 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 -19.906 -17.097 6.880 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 -19.666 -17.877 7.390 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 -20.426 -17.437 6.150 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 0.978 -8.765 -4.230 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 0.348 -8.485 -3.570 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 0.548 -9.485 -4.690 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -14.793 3.555 1.643 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -15.723 3.335 1.643 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -14.753 4.435 2.023 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 12.559 3.875 21.673 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 11.979 4.055 22.413 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 13.219 4.555 21.713 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -24.943 20.491 15.215 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -25.873 20.241 15.255 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -24.673 20.261 14.325 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 18.027 2.144 12.871 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 17.607 2.844 12.351 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 17.287 1.624 13.191 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 10.995 -13.046 -23.571 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 10.405 -13.346 -22.881 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 11.855 -13.346 -23.291 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 -23.138 -15.005 -0.657 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 -23.038 -14.835 0.273 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 -22.338 -15.485 -0.907 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 3.274 8.861 5.753 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 2.464 8.771 5.253 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 3.664 7.991 5.753 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -14.077 22.341 20.313 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -13.687 22.151 21.163 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -14.187 23.291 20.303 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 4.175 21.796 25.270 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 4.035 21.236 24.510 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 5.125 21.926 25.300 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 -14.494 7.322 -22.410 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 -15.284 7.772 -22.120 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 -14.444 6.542 -21.880 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 -2.481 -9.232 15.237 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 -2.631 -8.512 14.617 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 -1.851 -8.872 15.867 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 22.545 -8.553 -24.518 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 21.955 -9.293 -24.318 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 22.645 -8.583 -25.468 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 -3.663 13.089 -2.110 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 -4.443 12.839 -2.600 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 -3.873 12.879 -1.200 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 -16.277 12.021 -11.490 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 -16.237 12.951 -11.270 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 -16.787 12.001 -12.300 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 7.424 4.771 -18.918 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 8.044 5.001 -19.608 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 6.584 4.691 -19.358 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 -6.244 -16.568 -15.514 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 -5.744 -15.838 -15.874 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 -5.594 -17.108 -15.064 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 0.243 -6.598 20.203 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 0.273 -5.698 20.513 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 0.563 -6.558 19.303 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 22.773 -16.883 22.953 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 22.963 -17.313 22.113 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 21.863 -16.603 22.883 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 11.946 19.219 -8.755 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 12.706 18.989 -8.205 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 11.216 18.749 -8.355 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 -21.973 9.142 -16.866 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 -22.923 9.232 -16.846 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 -21.643 9.942 -16.446 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 -21.204 3.169 -23.907 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 -20.904 2.569 -24.597 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 -22.164 3.139 -23.967 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 -8.237 -12.709 12.811 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 -7.937 -12.019 13.401 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 -8.107 -12.349 11.931 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 -15.108 -3.658 18.355 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 -15.368 -2.838 17.935 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 -14.158 -3.618 18.385 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 15.422 -23.659 -17.068 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 15.072 -24.509 -17.318 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 14.962 -23.449 -16.248 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 24.055 5.304 14.744 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 23.155 5.104 14.464 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 24.495 4.454 14.774 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 -7.488 -4.226 -18.871 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 -7.568 -3.536 -18.211 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 -8.358 -4.306 -19.251 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -22.382 4.857 11.647 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -22.312 5.767 11.367 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -21.912 4.827 12.477 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 -10.965 12.883 -5.880 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 -11.015 13.383 -5.070 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 -10.295 13.313 -6.400 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -10.264 -3.057 -22.337 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -10.164 -2.107 -22.367 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -10.624 -3.287 -23.197 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 9.405 23.623 2.910 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 9.725 22.843 3.360 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 10.185 24.173 2.800 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -8.545 20.986 22.785 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -8.445 20.246 22.195 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -9.255 20.736 23.385 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 -17.406 -5.537 13.169 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 -16.626 -6.047 13.389 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 -18.086 -5.877 13.739 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 20.422 14.505 0.437 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 20.622 14.165 1.307 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 19.612 15.005 0.557 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 20.167 24.852 -6.340 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 20.507 24.012 -6.010 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 19.217 24.772 -6.230 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 0.242 -15.908 3.756 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 0.082 -14.998 3.506 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 0.422 -16.358 2.926 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 8.315 -20.157 -6.787 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 7.545 -20.567 -7.177 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 8.345 -20.497 -5.887 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 -10.935 -14.065 -3.110 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 -10.835 -13.505 -3.890 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 -10.865 -14.955 -3.440 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 2.854 1.854 0.169 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 2.844 2.364 -0.641 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 3.694 1.394 0.149 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 7.905 9.643 -13.580 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 8.215 8.753 -13.750 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 8.035 10.103 -14.410 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 -14.691 -14.996 -19.293 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 -14.391 -15.496 -18.543 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 -15.471 -15.466 -19.593 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 23.518 -4.071 15.122 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 24.358 -4.471 15.342 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 23.008 -4.131 15.932 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 -22.669 -24.538 2.176 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 -22.849 -23.598 2.076 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 -23.499 -24.898 2.506 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 23.683 5.915 -23.911 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 22.903 5.825 -23.351 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 24.383 5.475 -23.421 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 -4.625 0.925 2.139 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 -5.395 1.375 2.499 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 -4.925 0.585 1.289 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 22.113 -20.765 -0.802 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 22.203 -21.045 -1.712 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 21.803 -19.855 -0.862 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 15.469 -21.131 -20.750 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 15.489 -20.381 -20.140 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 14.549 -21.411 -20.750 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 11.881 23.634 20.957 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 11.351 23.624 20.157 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 12.331 22.794 20.967 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 3.496 2.037 -4.721 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 3.396 2.937 -5.041 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 2.676 1.607 -4.951 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 23.419 12.013 23.707 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 22.489 12.213 23.837 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 23.679 11.583 24.527 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 -11.308 1.674 8.564 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 -11.638 1.344 7.724 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 -12.068 1.634 9.144 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 6.414 -12.331 11.585 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 6.894 -12.091 12.375 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 5.504 -12.141 11.785 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 0.424 -12.577 11.796 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 0.224 -12.817 12.696 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 0.554 -13.417 11.346 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 2.457 24.073 -13.157 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 3.147 24.733 -13.097 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 2.727 23.523 -13.897 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 3.577 24.917 -6.414 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 4.167 25.097 -5.684 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 3.447 25.767 -6.834 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 16.909 11.642 -3.652 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 16.439 10.952 -3.192 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 17.699 11.782 -3.122 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 8.192 -12.412 -11.788 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 8.762 -12.002 -12.438 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 8.792 -12.912 -11.228 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 -19.148 -1.612 -16.469 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 -19.548 -2.332 -16.959 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 -18.568 -1.182 -17.099 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 2.639 7.712 22.205 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 3.539 7.412 22.065 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 2.689 8.662 22.145 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 17.468 -14.659 -17.488 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 16.758 -15.229 -17.768 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 17.978 -14.499 -18.278 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 21.609 -14.136 -21.858 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 21.429 -14.496 -22.728 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 22.009 -14.866 -21.378 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 18.121 -14.489 7.956 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 17.461 -13.949 8.386 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 17.681 -14.839 7.186 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 -2.771 10.472 -8.904 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 -3.281 11.282 -8.964 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 -2.401 10.472 -8.024 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 -19.226 -18.401 -18.567 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 -19.136 -18.991 -19.317 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 -19.846 -18.851 -17.987 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 18.997 -2.288 -12.209 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 18.747 -1.388 -12.019 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 18.977 -2.348 -13.169 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 0.993 17.635 -20.324 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 0.293 17.625 -20.964 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 1.363 16.755 -20.354 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -24.035 -2.601 13.698 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -23.685 -1.801 13.318 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -24.975 -2.551 13.528 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -10.261 10.053 21.018 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -9.881 10.443 21.808 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -11.071 9.633 21.318 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 9.876 -14.253 -1.453 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 9.986 -15.173 -1.193 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 9.606 -14.293 -2.373 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -9.068 -6.975 -6.096 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -8.198 -6.695 -5.816 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -9.278 -6.415 -6.846 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 17.612 -4.927 20.103 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 17.362 -4.357 20.823 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 18.352 -4.487 19.683 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 -11.504 -7.280 -17.774 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 -11.804 -7.270 -18.684 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 -10.564 -7.430 -17.834 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 18.139 -15.733 24.571 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 18.689 -15.093 25.031 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 18.539 -15.823 23.711 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -2.696 -24.621 12.310 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -2.076 -24.801 13.010 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -2.176 -24.711 11.500 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -20.374 -7.117 -1.184 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -19.654 -7.337 -1.784 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -20.144 -7.557 -0.364 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 8.718 9.316 -6.704 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 8.528 9.996 -6.064 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 7.898 8.836 -6.804 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 16.166 -1.755 9.417 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 17.036 -2.135 9.357 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 16.296 -0.815 9.257 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 23.647 8.738 -18.096 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 24.157 9.418 -17.656 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 24.187 7.948 -18.026 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 -12.969 9.828 -0.051 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 -13.270 10.088 -0.921 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 -13.399 8.988 0.109 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 13.061 -13.836 20.810 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 13.930 -14.186 21.020 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 12.881 -13.206 21.510 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 -22.118 -16.781 -3.039 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 -22.998 -16.401 -3.149 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 -22.278 -17.711 -2.849 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 1.693 -19.943 -17.194 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 1.883 -19.053 -17.484 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 2.003 -19.973 -16.284 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 -17.592 19.259 -19.507 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 -17.762 20.189 -19.657 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 -18.452 18.869 -19.387 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -7.311 14.785 18.413 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -7.651 15.575 18.833 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -7.421 14.105 19.073 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 -25.093 0.414 -21.620 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 -24.343 0.924 -21.900 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 -24.923 0.224 -20.690 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 16.737 23.251 0.496 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 15.867 23.561 0.756 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 16.937 22.541 1.116 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 5.438 -11.177 1.154 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 4.548 -11.507 1.304 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 5.848 -11.847 0.614 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 2.457 7.391 19.340 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 2.617 7.571 20.270 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 1.717 7.951 19.120 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 -9.324 12.339 -0.570 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 -8.594 12.949 -0.560 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 -10.094 12.879 -0.390 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 -3.782 4.049 21.814 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 -3.532 4.399 20.964 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 -2.952 3.939 22.284 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 -9.173 12.706 20.088 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 -9.983 12.226 20.198 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 -9.343 13.576 20.458 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 -23.411 -18.764 -7.996 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 -23.441 -19.284 -7.196 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 -24.151 -19.084 -8.516 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 -7.693 -9.252 -13.613 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 -6.803 -9.592 -13.713 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 -8.233 -9.812 -14.173 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 -0.016 -11.650 6.966 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 0.374 -10.950 7.486 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 0.294 -12.450 7.366 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 -22.813 -21.219 16.564 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 -23.473 -21.069 15.894 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 -23.303 -21.599 17.304 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 -2.557 -7.292 13.213 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 -2.317 -7.092 12.313 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 -1.817 -6.972 13.733 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 -9.858 4.673 -21.571 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 -9.548 3.773 -21.721 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 -9.778 4.803 -20.631 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 -7.287 -23.268 9.136 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 -6.777 -22.468 8.976 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 -8.007 -23.228 8.496 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -2.128 5.388 -2.294 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -2.138 4.518 -1.904 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -2.838 5.368 -2.934 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 -0.228 -8.191 23.556 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 -0.838 -7.551 23.196 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 -0.788 -8.941 23.786 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 18.843 -21.694 3.403 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 18.133 -22.024 3.953 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 18.403 -21.284 2.663 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 -12.858 -0.906 25.186 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 -12.528 -0.026 25.016 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 -13.778 -0.876 24.906 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 -18.541 -8.723 -13.229 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 -17.841 -8.313 -13.729 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 -18.801 -8.053 -12.589 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 2.014 -14.781 -9.782 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 1.824 -15.581 -9.292 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 1.594 -14.931 -10.632 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -14.787 2.042 -18.408 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -15.027 2.332 -19.288 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -13.947 1.602 -18.518 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 -1.953 10.257 2.450 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 -2.183 9.367 2.730 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 -1.003 10.307 2.560 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 -5.547 -21.168 -5.451 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 -5.787 -20.288 -5.171 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 -4.827 -21.038 -6.071 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 17.982 5.792 -11.014 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 18.112 5.762 -10.074 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 18.582 6.482 -11.314 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 8.778 -12.756 23.045 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 9.228 -13.586 23.135 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 7.848 -12.986 23.075 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 18.233 9.013 -15.450 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 18.823 9.343 -16.130 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 18.783 8.453 -14.910 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -17.573 22.245 -20.045 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -17.023 22.705 -20.675 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -17.023 22.165 -19.265 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 -20.177 25.319 4.196 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 -20.497 24.749 3.496 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 -20.937 25.449 4.766 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 9.741 -9.072 -14.484 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 8.951 -9.602 -14.404 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 9.581 -8.312 -13.924 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 14.029 0.064 6.498 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 13.249 0.344 6.028 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 14.259 0.804 7.048 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 -15.886 -3.985 -9.675 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 -16.626 -4.575 -9.505 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 -15.396 -3.965 -8.855 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 0.702 8.140 -1.024 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 0.392 8.940 -1.454 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 0.502 7.440 -1.634 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 5.969 2.272 -7.857 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 5.519 2.932 -7.337 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 5.769 1.442 -7.427 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 11.022 -2.990 -19.306 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 11.822 -3.370 -18.956 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 10.772 -2.330 -18.656 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 20.124 20.485 24.267 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 21.034 20.225 24.157 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 20.154 21.215 24.877 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 -7.489 -0.264 15.547 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 -7.239 0.616 15.247 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 -8.099 -0.114 16.267 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 22.856 -5.833 12.524 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 22.766 -5.203 13.244 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 22.516 -6.653 12.884 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 7.799 24.863 -0.128 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 6.999 24.433 -0.438 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 7.529 25.753 0.062 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 22.435 -11.976 22.631 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 21.535 -11.676 22.781 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 22.865 -11.846 23.481 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 3.933 -22.161 11.446 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 3.803 -23.101 11.566 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 4.883 -22.041 11.516 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 17.897 -1.907 21.920 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 17.837 -1.817 22.870 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 18.767 -1.567 21.700 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 -12.632 20.737 -8.697 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 -13.412 21.007 -9.187 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 -12.022 21.467 -8.797 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 20.179 -1.580 -19.120 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 20.169 -1.670 -18.170 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 20.689 -2.330 -19.430 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 17.266 3.944 6.448 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 16.856 3.224 6.928 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 16.606 4.634 6.438 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 11.493 -19.388 -23.480 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 12.293 -19.868 -23.220 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 10.783 -19.978 -23.230 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 -8.393 8.960 23.889 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 -8.283 8.260 23.249 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 -7.553 9.410 23.909 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 7.759 -15.996 -23.808 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 6.909 -15.926 -24.238 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 7.579 -15.866 -22.878 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 -6.876 -22.143 20.369 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 -7.396 -22.533 21.059 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 -7.106 -22.633 19.579 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 18.362 4.923 24.397 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 18.922 5.063 25.157 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 18.922 4.473 23.767 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 -0.817 3.074 14.390 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 -0.207 2.474 13.960 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 -1.037 3.714 13.720 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 24.119 -7.495 -2.754 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 24.199 -6.585 -2.464 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 23.579 -7.445 -3.544 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 -12.386 -16.871 1.637 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 -11.576 -17.371 1.737 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 -12.406 -16.281 2.387 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 21.899 22.377 -20.111 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 22.199 22.007 -20.941 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 22.529 23.067 -19.911 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 -5.495 12.299 20.687 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 -5.315 11.839 19.867 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 -5.475 13.219 20.457 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 18.468 20.442 6.225 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 19.388 20.152 6.225 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 18.518 21.392 6.265 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 19.294 -17.973 -10.934 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 18.584 -18.143 -11.554 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 19.604 -18.843 -10.684 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 4.551 -7.926 4.611 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 4.131 -8.256 5.401 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 3.891 -8.016 3.921 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -21.132 9.215 1.865 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -20.442 8.625 1.555 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -21.892 9.005 1.325 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 13.179 -20.894 -10.656 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 13.379 -21.374 -11.456 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 13.559 -20.034 -10.786 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 21.988 -13.835 6.889 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 21.558 -14.435 7.499 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 21.568 -12.985 7.059 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 -9.681 21.094 -10.754 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 -9.071 20.624 -11.324 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 -10.551 20.804 -11.024 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 -23.901 -9.071 -20.119 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 -24.091 -9.281 -21.029 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 -24.021 -9.901 -19.649 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 -5.906 -14.113 2.271 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 -6.416 -14.543 2.951 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 -5.006 -14.133 2.591 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 -1.153 2.506 -21.053 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 -0.303 2.566 -20.623 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 -0.953 2.466 -21.983 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -4.617 -22.179 9.636 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -4.347 -23.039 9.296 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -4.087 -21.549 9.146 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 19.439 -12.560 21.191 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 19.309 -12.780 22.121 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 18.589 -12.220 20.901 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -25.286 6.326 17.885 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -25.766 6.826 17.215 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -24.476 6.046 17.445 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 -23.118 21.779 6.333 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 -23.948 21.639 6.783 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 -22.798 20.899 6.143 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 21.933 -5.059 -2.331 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 22.613 -4.409 -2.131 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 21.373 -5.059 -1.551 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 7.469 -0.406 -22.795 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 7.439 0.014 -23.655 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 6.959 0.164 -22.225 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 5.778 -2.608 1.856 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 5.868 -1.838 2.426 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 6.018 -2.298 0.986 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 18.653 2.650 -9.504 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 17.723 2.480 -9.404 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 18.713 3.270 -10.234 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 11.191 -2.678 8.631 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 11.400 -2.278 7.781 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 11.951 -2.458 9.181 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 13.247 -20.139 -2.698 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 13.937 -20.669 -2.298 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 12.577 -20.759 -2.968 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 4.942 20.285 9.498 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 5.082 20.675 8.628 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 5.712 20.535 9.998 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 -24.685 1.320 -3.999 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 -24.855 0.650 -3.339 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 -25.325 1.140 -4.699 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -0.276 -3.767 -15.894 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -0.916 -3.757 -15.174 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -0.046 -2.847 -16.014 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 8.531 -20.584 -4.155 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 8.661 -21.524 -3.995 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 9.421 -20.244 -4.265 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -17.818 8.557 -6.910 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -17.548 7.657 -7.080 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -17.378 8.797 -6.100 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 -24.302 -5.358 15.343 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 -24.192 -4.738 14.613 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 -23.492 -5.288 15.843 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 -5.949 -13.417 -10.774 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 -5.779 -14.357 -10.774 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 -5.159 -13.027 -10.404 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 -18.737 -0.917 12.173 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 -18.827 -1.087 11.243 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 -18.207 -1.637 12.513 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 19.268 1.716 1.929 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 18.668 1.396 1.259 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 18.868 1.446 2.759 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 14.756 -1.820 0.946 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 14.406 -1.280 0.236 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 14.806 -2.700 0.586 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -22.417 18.462 -8.769 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -23.027 17.743 -8.909 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -22.637 18.792 -7.899 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 3.719 -18.675 6.856 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 3.479 -17.925 6.306 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 3.199 -19.395 6.506 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 10.693 14.257 -22.243 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 11.523 14.307 -21.783 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 10.403 15.167 -22.313 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -23.356 -1.821 20.440 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -23.056 -1.401 19.640 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -23.666 -1.091 20.990 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 -8.851 -17.528 -8.195 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 -8.381 -17.898 -7.445 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 -9.571 -18.138 -8.355 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -16.195 -17.610 24.040 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -15.905 -17.530 24.950 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -16.685 -18.430 24.010 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -4.117 24.180 18.333 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -4.577 24.890 17.873 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -3.557 24.640 18.953 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 19.605 2.322 -2.314 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 20.005 3.102 -2.684 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 20.305 1.662 -2.304 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 23.001 -2.022 -1.212 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 22.271 -1.922 -0.592 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 23.441 -1.172 -1.192 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 24.358 7.156 24.216 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 24.108 6.656 24.996 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 25.148 7.636 24.486 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 4.519 -13.161 -25.135 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 4.079 -14.011 -25.035 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 3.959 -12.541 -24.675 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 -22.405 20.873 16.780 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 -23.315 20.603 16.850 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 -22.235 20.933 15.840 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -24.916 -16.038 -17.054 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -24.886 -16.988 -16.984 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -24.156 -15.738 -16.534 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 4.142 7.764 -2.347 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 5.012 7.744 -1.947 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 3.722 8.524 -1.967 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 -11.548 24.071 13.191 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 -11.188 23.811 12.351 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 -11.398 23.331 13.771 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 17.593 24.917 -5.835 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 17.713 25.867 -5.905 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 16.643 24.797 -5.755 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 12.675 -6.476 -12.347 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 13.625 -6.616 -12.377 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 12.555 -5.536 -12.507 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 12.761 -12.289 -13.560 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 12.101 -12.869 -13.190 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 12.461 -12.119 -14.450 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 -4.408 -5.025 -18.978 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 -5.278 -4.655 -19.088 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 -3.808 -4.305 -19.178 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 18.212 -9.995 0.610 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 17.962 -10.725 0.040 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 18.962 -10.325 1.120 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 6.238 -12.540 -6.272 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 5.378 -12.270 -5.972 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 6.428 -13.330 -5.762 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 22.943 20.687 -22.306 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 22.983 21.387 -22.956 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 23.763 20.207 -22.406 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -20.449 -7.294 -12.001 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -20.389 -6.964 -11.101 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -21.369 -7.204 -12.231 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 16.066 17.062 19.029 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 16.016 16.622 19.869 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 16.996 17.272 18.919 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 -4.789 20.589 -18.686 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 -4.119 20.839 -19.336 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 -5.119 21.429 -18.356 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 24.413 9.803 -22.291 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 23.873 9.243 -21.721 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 25.053 9.203 -22.671 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 15.983 -8.387 1.086 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 15.503 -8.107 0.306 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 16.333 -9.247 0.856 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -13.583 25.476 -9.746 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -13.423 25.276 -10.666 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 -14.143 24.756 -9.446 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -1.757 -19.486 20.915 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -2.617 -19.786 21.195 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -1.687 -19.766 20.005 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 16.556 -11.004 -12.124 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 16.676 -11.214 -13.044 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 16.026 -11.714 -11.774 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 -0.903 -11.854 0.579 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 -0.183 -11.234 0.649 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 -0.793 -12.264 -0.281 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 -3.029 -24.198 24.741 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 -2.420 -23.468 24.821 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 -2.809 -24.608 23.901 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 -2.554 -6.196 -11.478 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 -2.404 -5.296 -11.778 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 -1.734 -6.446 -11.058 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 25.124 -19.002 15.292 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 25.474 -19.822 14.932 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 24.644 -19.272 16.072 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 -9.709 3.838 8.626 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 -8.960 3.388 8.246 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 -10.329 3.138 8.846 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 -15.371 3.058 19.919 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 -16.111 2.738 20.429 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 -14.611 2.628 20.309 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -7.424 17.428 16.332 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -6.594 17.318 16.792 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -7.504 16.648 15.782 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 -16.761 -8.817 19.713 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 -16.111 -9.437 19.373 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 -16.361 -7.957 19.603 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 -16.608 -15.408 -5.197 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 -16.948 -15.028 -6.007 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 -17.128 -16.208 -5.077 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -20.184 12.799 -8.284 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -19.594 13.479 -7.934 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -19.594 12.149 -8.654 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -17.046 -15.188 18.868 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -17.336 -15.738 19.598 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -16.166 -14.898 19.118 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -22.482 23.470 -17.498 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -23.262 23.730 -17.008 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -21.752 23.730 -16.938 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 -4.233 -17.188 -17.010 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 -4.523 -16.308 -17.250 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 -5.043 -17.698 -16.920 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 -16.563 20.031 16.613 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 -17.073 19.271 16.893 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 -16.453 19.911 15.663 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -21.781 -8.585 15.368 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -21.911 -8.275 14.478 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -21.841 -7.795 15.908 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 -5.100 15.539 12.218 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 -6.019 15.389 12.418 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 -4.859 16.299 12.758 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 24.193 23.775 -8.785 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 23.393 23.245 -8.835 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 23.963 24.595 -9.225 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 6.091 -24.738 -7.920 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 5.701 -24.918 -8.780 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 6.031 -23.788 -7.820 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 24.838 -9.728 22.206 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 24.338 -10.478 22.506 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 25.168 -9.318 23.016 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 6.515 -7.457 11.457 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 6.675 -6.537 11.637 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 7.185 -7.918 11.967 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 9.575 17.317 22.080 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 9.425 18.267 22.030 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 9.965 17.097 21.230 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 17.056 -22.906 16.925 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 16.836 -23.646 16.365 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 17.926 -22.636 16.635 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 12.668 23.137 2.754 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 12.878 23.607 3.564 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 13.068 22.277 2.864 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -25.379 -22.561 -7.020 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -24.649 -22.741 -6.440 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -25.469 -23.361 -7.540 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 -19.373 -7.147 -19.039 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 -19.083 -6.397 -19.549 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 -20.243 -6.897 -18.719 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 -22.003 14.921 16.417 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 -22.783 14.371 16.317 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 -22.253 15.761 16.047 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -11.868 4.032 12.259 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -11.828 4.862 11.779 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -12.228 3.412 11.639 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 -4.923 -9.608 20.597 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 -5.653 -9.288 21.137 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 -4.163 -9.118 20.907 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 -19.608 17.328 -10.074 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 -20.498 17.558 -9.794 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 -19.178 17.018 -9.274 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 -18.881 17.043 -16.634 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 -18.071 17.493 -16.384 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 -19.571 17.513 -16.154 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 13.183 -4.533 25.356 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 13.553 -5.303 24.926 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 13.243 -3.833 24.706 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -1.247 -16.119 11.348 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -0.597 -16.799 11.168 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -1.277 -15.599 10.548 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 -6.993 -1.785 -13.337 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 -7.693 -2.315 -12.967 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 -6.953 -1.005 -12.787 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 14.617 9.470 16.324 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 15.477 9.870 16.224 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 14.027 10.210 16.454 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 21.576 14.998 14.892 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 22.106 14.408 14.362 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 20.926 14.428 15.312 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 -17.515 19.888 10.090 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 -16.825 20.498 9.840 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 -18.315 20.258 9.730 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -15.079 -8.772 23.435 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -15.689 -8.362 22.825 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -15.619 -8.992 24.195 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 -20.161 11.730 -18.095 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 -20.231 12.630 -17.785 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 -20.371 11.780 -19.025 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 12.464 -15.185 -5.983 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 12.094 -15.245 -5.103 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 13.294 -14.725 -5.863 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -3.172 -14.782 2.790 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -2.322 -14.552 2.430 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -3.272 -14.232 3.560 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 -3.959 -3.148 23.504 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 -3.309 -2.718 24.064 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 -4.369 -2.438 23.024 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 -5.894 -6.028 16.068 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 -5.054 -5.648 15.828 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 -6.084 -6.648 15.368 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 15.919 25.414 -22.314 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 16.489 26.114 -22.644 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 16.479 24.644 -22.284 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 21.556 9.452 -16.897 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 22.296 9.182 -17.437 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 21.836 10.282 -16.517 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 -6.518 2.212 24.353 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 -5.568 2.362 24.393 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 -6.788 2.632 23.533 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 -19.938 1.150 -2.591 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 -19.058 0.920 -2.291 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 -20.388 0.310 -2.681 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 20.821 -19.836 2.926 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 21.491 -20.056 3.566 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 20.211 -20.566 2.956 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -24.547 5.108 -8.519 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -24.317 5.568 -9.329 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -24.247 5.688 -7.819 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -1.956 -5.058 -5.818 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -2.606 -4.908 -6.508 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -1.846 -6.008 -5.788 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 5.634 -20.082 12.316 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 5.934 -20.582 13.076 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 6.384 -20.062 11.726 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -11.288 5.392 -2.244 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -10.418 5.052 -2.464 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -11.868 4.642 -2.314 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 -10.161 19.909 -24.260 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 -10.691 19.679 -23.500 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 -10.201 20.859 -24.310 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 -5.785 4.712 19.380 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 -5.785 5.302 18.620 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 -6.655 4.802 19.750 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 7.317 -15.119 -2.885 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 7.007 -15.209 -3.795 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 7.687 -15.969 -2.675 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -16.241 -12.682 -8.494 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -16.781 -13.102 -9.164 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -15.831 -11.942 -8.954 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 -25.115 -23.183 -17.340 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 -24.285 -22.713 -17.290 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 -25.745 -22.603 -16.920 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -7.014 -15.638 4.769 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -7.394 -16.238 5.409 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -6.384 -15.118 5.279 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 -17.565 24.976 11.180 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 -16.605 24.966 11.170 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 -17.805 24.336 11.840 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 -15.617 -22.377 18.300 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 -15.397 -21.737 18.980 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 -16.367 -22.857 18.670 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 21.655 -21.364 -3.341 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 20.715 -21.414 -3.151 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 21.925 -22.264 -3.491 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 -14.346 13.976 20.727 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 -13.896 13.156 20.897 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 -13.696 14.656 20.917 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 7.918 -7.847 -17.695 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 8.748 -8.307 -17.795 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 8.068 -6.987 -18.085 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 8.787 18.653 7.502 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 8.617 19.263 8.222 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 9.027 17.833 7.942 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 8.642 -7.338 -5.310 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 8.672 -7.308 -6.260 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 9.512 -7.598 -5.040 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 19.613 -3.882 -3.450 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 19.623 -4.342 -4.290 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 20.073 -4.462 -2.850 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 11.148 -24.802 -13.587 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 10.758 -25.432 -14.187 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 10.468 -24.142 -13.457 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -17.961 -9.019 4.269 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -17.281 -9.659 4.469 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -17.571 -8.449 3.609 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 24.083 -22.838 -22.066 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 23.343 -22.568 -21.526 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 24.803 -22.278 -21.766 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 22.056 -7.731 3.036 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 21.406 -7.251 3.546 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 21.716 -8.621 2.976 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 9.405 -2.361 15.866 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 8.695 -2.841 15.446 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 9.025 -1.511 16.076 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 24.555 -11.591 -16.414 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 24.055 -11.161 -17.114 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 23.905 -11.781 -15.734 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 -0.065 9.703 -23.908 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 0.425 10.503 -23.678 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 0.455 9.303 -24.608 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -11.714 21.294 22.438 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -11.024 21.664 21.888 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -11.974 22.024 23.008 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 10.364 20.218 -2.301 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 10.914 19.438 -2.271 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 9.494 19.918 -2.051 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 3.631 2.923 22.470 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 3.370 2.013 22.620 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 4.581 2.883 22.370 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 15.785 2.727 -11.614 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 15.615 3.017 -12.514 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 14.915 2.567 -11.244 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -4.829 13.520 -14.393 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -5.159 12.630 -14.333 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -4.080 13.540 -13.803 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 -22.501 -11.558 10.077 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 -23.221 -12.128 10.337 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 -22.441 -11.658 9.127 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 -9.867 18.580 17.248 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 -9.227 18.050 16.768 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 -10.417 18.960 16.558 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 -22.993 -4.282 8.752 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 -23.023 -3.402 8.372 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 -23.903 -4.592 8.732 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 8.615 -8.865 4.159 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 8.015 -9.555 4.429 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 8.775 -9.035 3.229 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 -17.014 -4.956 22.620 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 -16.254 -5.006 23.210 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 -17.524 -4.206 22.940 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 14.388 -22.005 12.288 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 14.668 -22.905 12.128 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 15.198 -21.515 12.398 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 -4.378 -14.751 11.492 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 -4.758 -15.221 10.752 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 -4.818 -15.111 12.262 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 20.685 -1.472 20.433 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 21.465 -1.572 20.983 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 20.635 -0.532 20.253 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 14.012 -9.591 -13.297 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 14.642 -9.851 -13.967 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 13.562 -10.401 -13.057 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 -3.876 7.592 20.846 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 -2.966 7.312 20.956 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 -4.006 8.252 21.536 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 -23.102 -23.342 -14.982 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 -22.892 -23.582 -15.882 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 -23.642 -24.062 -14.662 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 -15.834 -23.642 4.222 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 -15.544 -22.812 4.612 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 -15.484 -23.622 3.332 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 -21.838 14.421 -19.297 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 -20.898 14.561 -19.367 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 -22.148 14.351 -20.197 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 -22.995 -10.128 12.823 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 -22.795 -9.188 12.763 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 -22.625 -10.498 12.013 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 18.082 -3.812 9.202 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 18.372 -3.912 8.302 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 18.492 -4.552 9.662 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 -8.466 5.246 21.071 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 -8.846 4.716 21.771 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 -9.216 5.486 20.521 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -17.401 -17.146 13.781 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -17.921 -16.926 13.011 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -17.261 -18.096 13.701 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 -12.277 1.835 -19.373 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 -12.327 2.785 -19.383 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 -11.967 1.595 -20.243 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 23.513 23.422 -12.517 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 23.493 23.422 -13.477 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 22.643 23.712 -12.257 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 3.656 25.636 11.922 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 4.176 25.046 12.462 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 2.846 25.156 11.762 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 18.093 25.080 24.778 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 18.263 26.010 24.908 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 17.203 24.940 25.108 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 -12.794 16.457 20.503 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 -13.514 17.077 20.393 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 -12.404 16.387 19.623 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 -24.656 -20.034 7.945 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 -24.136 -19.384 8.415 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 -24.436 -19.894 7.025 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 -2.881 -20.575 12.974 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 -2.421 -19.945 13.534 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 -3.791 -20.275 12.974 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 10.599 1.036 18.791 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 11.059 0.226 18.581 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 11.129 1.456 19.471 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 15.127 -21.934 -4.451 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 15.327 -21.774 -5.371 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 15.037 -21.054 -4.071 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 11.938 19.020 16.756 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 12.128 18.160 16.386 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 12.788 19.360 17.026 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 5.957 8.894 23.366 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 5.227 9.264 22.886 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 6.727 9.084 22.826 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 1.328 -11.577 -11.549 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 1.358 -11.777 -12.489 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 1.368 -10.627 -11.509 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 3.089 21.240 12.240 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 3.789 20.600 12.120 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 2.289 20.750 12.020 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 6.406 -4.187 19.965 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 6.786 -5.037 20.155 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 6.586 -3.667 20.745 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 24.139 0.516 -1.896 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 24.959 0.416 -1.406 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 24.009 1.466 -1.946 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 18.611 2.823 -14.535 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 18.301 2.283 -15.265 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 17.821 3.053 -14.055 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 15.765 21.762 -20.099 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 15.155 22.382 -19.679 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 15.895 21.072 -19.459 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 -14.358 21.802 17.423 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 -15.088 21.192 17.293 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 -14.368 21.972 18.373 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 14.706 -20.881 4.916 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 14.476 -20.051 5.326 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 13.866 -21.321 4.786 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 6.202 -12.176 -9.571 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 6.172 -12.956 -9.021 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 7.132 -12.026 -9.721 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 6.597 -1.944 10.402 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 6.257 -1.104 10.082 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 7.507 -1.784 10.612 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 25.176 -16.376 -1.363 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 25.926 -15.996 -0.923 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 24.686 -15.626 -1.703 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -5.661 18.440 -14.885 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -4.981 17.790 -14.655 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -6.261 17.960 -15.455 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 25.377 -15.279 -12.460 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 24.667 -15.919 -12.530 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 25.007 -14.469 -12.830 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 -20.617 9.653 -23.726 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 -21.007 9.783 -24.596 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 -19.717 9.973 -23.826 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 5.855 3.025 -22.827 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 6.175 2.155 -22.607 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 6.025 3.115 -23.767 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 8.384 9.802 21.635 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 9.294 9.792 21.945 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 8.444 10.112 20.725 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 24.517 -7.649 -17.829 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 24.827 -7.809 -16.929 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 25.157 -8.089 -18.379 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 12.716 -3.922 -22.430 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 11.906 -3.622 -22.010 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 12.456 -4.122 -23.330 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 6.131 -2.512 -20.476 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 6.241 -3.392 -20.836 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 6.430 -1.932 -21.166 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 -10.956 -14.552 20.388 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 -11.706 -14.352 19.818 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 -10.386 -15.092 19.848 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 8.959 21.603 7.249 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 8.969 22.553 7.139 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 8.789 21.473 8.179 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 -17.645 14.032 -13.373 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -16.905 14.022 -13.973 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 -18.035 14.892 -13.483 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 6.736 23.656 4.353 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 7.186 22.856 4.633 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 7.376 24.106 3.793 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 -20.082 -0.160 -24.764 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 -19.962 0.040 -23.834 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 -19.352 0.290 -25.194 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -19.127 -9.762 21.166 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -18.357 -9.712 20.606 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -18.967 -9.102 21.846 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 8.726 -3.783 8.955 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 9.586 -3.633 8.575 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 8.156 -3.153 8.505 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 23.531 12.036 16.765 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 23.501 11.106 16.535 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 22.761 12.186 17.315 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 -8.038 0.969 -4.537 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 -8.658 0.709 -3.857 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 -7.238 1.199 -4.057 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 -19.272 -10.488 -24.488 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 -19.432 -9.928 -25.238 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 -19.882 -10.188 -23.818 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 -14.378 7.251 -0.357 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 -14.558 6.881 0.503 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 -14.118 6.491 -0.887 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 0.802 13.782 21.296 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 0.362 12.972 21.066 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 0.382 14.062 22.106 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 -18.525 11.350 -10.431 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 -18.855 10.500 -10.691 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 -17.875 11.580 -11.091 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 -18.243 -0.239 3.803 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 -17.833 -0.919 4.343 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 -18.413 0.481 4.413 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 -22.728 -4.232 11.702 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 -23.198 -3.572 12.212 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 -22.648 -3.852 10.822 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 -22.983 16.337 -16.859 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 -22.743 15.607 -17.419 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 -23.003 17.097 -17.439 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 12.195 14.638 6.593 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 13.155 14.638 6.583 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 11.965 15.028 7.443 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 14.218 -16.016 22.231 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 14.618 -16.626 21.621 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 13.598 -16.546 22.731 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 22.812 2.754 -0.315 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 22.422 3.494 -0.775 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 23.722 3.024 -0.175 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 -13.063 -1.395 12.286 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 -12.573 -1.135 13.066 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 -13.393 -2.265 12.496 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -19.007 7.864 0.873 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -18.457 7.394 1.503 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -18.727 7.514 0.023 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -16.285 -15.170 -1.891 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -15.525 -14.620 -1.681 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -16.185 -15.370 -2.821 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 21.411 -24.416 15.485 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 21.400 -23.916 16.305 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 22.081 -25.086 15.625 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 24.205 24.659 -5.537 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 23.605 24.249 -4.907 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 24.525 23.929 -6.067 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 -13.639 17.361 13.903 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 -13.049 16.631 14.073 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 -14.449 16.951 13.593 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 -7.096 -9.645 4.523 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 -7.396 -10.535 4.353 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 -6.286 -9.565 4.033 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 16.493 -14.686 -22.524 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 16.643 -14.296 -23.384 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 17.323 -15.126 -22.314 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 -12.478 -6.371 18.093 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 -13.238 -6.901 17.853 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 -12.208 -6.701 18.953 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -15.251 -14.183 23.201 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -14.401 -13.833 23.461 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -15.251 -15.083 23.521 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 -3.124 2.088 5.356 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 -3.954 1.808 4.986 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 -2.554 2.228 4.596 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 -7.448 -11.228 0.272 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 -7.878 -10.858 1.042 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 -7.758 -12.138 0.232 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 6.488 16.299 9.420 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 5.538 16.229 9.470 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 6.798 15.819 10.190 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -4.856 13.278 18.266 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -5.296 14.018 18.676 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -5.486 12.948 17.626 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 -20.150 1.791 -5.621 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 -19.960 1.781 -4.681 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 -20.870 2.411 -5.711 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 -2.913 -0.059 17.673 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 -3.633 -0.549 17.263 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 -3.353 0.581 18.233 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 17.666 -23.921 19.540 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 17.626 -23.731 18.600 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 18.456 -23.461 19.840 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 -7.127 -4.483 -22.351 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 -7.237 -5.433 -22.291 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 -6.577 -4.263 -21.591 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 -8.218 -6.449 -24.195 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 -8.568 -5.619 -24.495 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 -8.638 -7.109 -24.755 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 2.019 21.152 8.893 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 1.969 21.522 8.013 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 2.759 20.552 8.853 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 4.269 3.987 -11.186 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 4.989 3.357 -11.236 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 4.249 4.407 -12.046 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 13.697 -16.908 -24.864 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 12.767 -17.098 -24.944 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 14.027 -17.538 -24.234 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 22.687 -10.636 -14.389 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 22.387 -9.726 -14.459 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 22.177 -11.106 -15.049 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 9.789 17.109 16.230 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 9.269 17.849 15.910 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 10.249 17.449 17.000 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 11.858 22.042 8.884 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 11.218 22.752 8.854 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 12.088 21.962 9.814 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 -16.502 11.234 -21.674 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 -15.692 10.724 -21.724 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 -16.562 11.494 -20.764 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 4.931 10.196 -8.963 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 4.341 9.746 -9.563 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 5.101 9.566 -8.263 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 -11.024 6.746 22.822 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 -10.714 5.896 22.492 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 -11.064 7.306 22.042 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 17.692 -5.157 11.783 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 17.162 -4.357 11.743 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 17.532 -5.507 12.653 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 13.795 2.237 -10.157 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 14.035 2.257 -9.237 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 12.925 1.837 -10.177 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 6.254 -14.067 23.328 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 5.574 -14.597 22.898 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 5.784 -13.587 24.008 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 -20.403 -4.747 12.998 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 -20.993 -4.487 12.278 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 -20.643 -4.177 13.728 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 23.604 11.561 -19.226 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 24.014 11.241 -18.416 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 23.444 10.761 -19.726 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 15.301 19.363 -14.877 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 14.591 18.773 -14.637 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 15.971 18.793 -15.247 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 -16.012 -21.981 -20.627 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 -15.942 -22.031 -21.577 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 -16.302 -22.851 -20.357 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 22.807 13.910 -3.257 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 23.637 14.380 -3.237 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 22.707 13.540 -2.377 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 -5.464 -3.558 7.760 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 -4.654 -4.048 7.830 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 -5.924 -3.718 8.580 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 19.729 5.761 5.165 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 18.819 5.481 5.195 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 19.979 5.861 6.085 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 4.166 -11.157 -11.082 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 4.626 -11.557 -11.822 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 4.666 -11.427 -10.312 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 22.535 -24.145 -8.146 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 22.355 -23.405 -7.566 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 22.475 -24.915 -7.576 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 -8.586 10.999 -2.964 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 -7.956 11.719 -2.934 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 -9.016 11.019 -2.114 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 7.046 -21.137 -13.974 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 6.256 -20.768 -14.364 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 6.896 -21.078 -13.024 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 23.934 -12.663 2.958 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 24.604 -13.273 2.658 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 23.334 -12.583 2.218 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 -9.433 9.832 6.264 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 -8.733 9.592 6.874 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 -10.203 9.362 6.584 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 16.836 4.701 -13.306 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 16.576 5.501 -13.766 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 17.566 4.971 -12.746 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 16.559 -7.649 -9.151 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 16.529 -7.449 -10.091 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 17.059 -6.929 -8.771 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 -6.992 22.842 -24.637 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 -6.812 22.122 -25.237 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 -6.182 23.352 -24.637 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -16.442 -5.592 7.566 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -16.962 -6.302 7.946 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -17.092 -4.932 7.326 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 0.735 -23.231 16.010 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 1.115 -23.021 15.160 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 1.155 -22.631 16.620 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -13.328 23.836 -16.365 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -14.238 23.576 -16.205 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -12.998 23.186 -16.985 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 -5.104 -0.879 -16.565 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 -5.644 -1.549 -16.155 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 -5.234 -0.099 -16.015 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -23.369 22.369 -7.842 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -23.869 22.349 -8.662 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -22.949 21.509 -7.792 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -12.519 -5.275 12.845 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -12.409 -4.775 12.035 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -11.639 -5.565 13.065 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 1.406 1.178 12.899 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 1.736 1.268 13.789 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 2.166 1.368 12.339 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 -2.989 15.576 15.983 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 -2.109 15.456 16.323 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 -3.169 14.766 15.503 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 24.582 -13.373 14.297 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 24.522 -12.493 13.937 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 25.032 -13.883 13.617 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 25.467 -12.701 -20.414 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 25.257 -13.311 -21.124 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 24.807 -12.881 -19.744 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 6.708 16.959 14.007 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 6.568 16.439 14.797 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 6.068 17.669 14.067 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 -20.734 -16.478 -10.948 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 -20.764 -15.998 -10.128 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 -21.634 -16.778 -11.078 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 -16.656 -12.977 -21.007 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 -16.836 -13.737 -21.557 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 -17.456 -12.457 -21.047 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 12.523 6.929 -9.799 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 12.043 6.209 -10.219 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 12.793 6.579 -8.959 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 0.531 5.371 -0.190 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 0.081 5.331 -1.030 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 0.841 6.281 -0.120 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -12.164 -4.776 -8.544 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -12.174 -5.476 -9.204 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -11.314 -4.356 -8.664 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 19.448 6.844 2.664 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 19.738 6.104 3.204 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 19.088 6.434 1.874 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -10.961 13.335 11.746 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -10.391 14.105 11.666 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -10.371 12.635 12.026 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 -8.445 0.102 0.056 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -8.865 0.903 -0.254 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -9.175 -0.497 0.226 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 20.556 -9.508 -11.039 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 20.586 -9.368 -11.979 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 21.246 -8.948 -10.689 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 -18.729 1.482 14.595 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 -19.619 1.162 14.455 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 -18.839 2.392 14.845 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 -5.385 10.932 -13.999 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 -4.855 10.152 -13.869 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 -6.285 10.632 -13.899 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 19.026 -0.038 -14.580 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 19.216 0.802 -15.010 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 19.746 -0.608 -14.840 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 -12.893 -9.818 22.253 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 -13.683 -9.628 22.763 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 -12.203 -9.928 22.903 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 -5.837 16.620 -5.628 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 -5.807 16.750 -6.568 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 -5.607 15.700 -5.508 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 -1.040 -4.198 14.152 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 -1.699 -3.518 14.002 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 -0.369 -4.038 13.492 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 19.046 5.628 15.828 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 19.456 6.428 16.158 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 18.196 5.608 16.258 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 -12.355 -22.552 18.519 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 -11.915 -22.482 19.369 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 -12.445 -21.652 18.219 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 2.344 -12.208 2.523 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 2.594 -13.058 2.153 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 2.974 -12.058 3.223 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 20.631 24.868 12.000 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 20.791 25.308 11.170 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 20.001 25.428 12.450 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 -22.804 14.240 -14.549 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 -22.224 14.100 -13.799 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 -22.234 14.560 -15.239 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 -7.177 8.832 -13.749 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 -6.787 7.963 -13.859 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 -7.137 8.992 -12.809 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 17.905 -19.399 -18.928 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 17.325 -19.519 -18.178 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 17.445 -18.769 -19.488 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 24.839 17.847 13.019 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 25.759 17.727 13.269 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 24.799 17.587 12.099 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 -3.386 -13.495 -1.642 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 -2.486 -13.555 -1.322 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 -3.676 -14.405 -1.702 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 15.799 -9.972 -6.012 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 14.999 -9.702 -6.472 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 16.319 -10.412 -6.682 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 6.653 3.065 2.894 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 6.703 2.335 2.284 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 5.753 3.075 3.204 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 11.693 -16.186 20.598 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 12.283 -16.416 21.318 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 11.763 -15.226 20.538 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 21.097 6.037 9.369 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 20.937 5.257 8.829 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 21.897 5.837 9.849 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 18.074 -9.162 9.082 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 18.704 -8.812 9.712 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 17.254 -9.222 9.572 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 12.884 -20.593 2.635 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 12.524 -20.893 1.795 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 13.754 -20.993 2.675 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 -9.144 -0.766 -10.455 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 -9.564 -0.016 -10.045 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 -8.734 -0.416 -11.245 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 -12.183 -6.328 -2.776 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 -11.473 -6.388 -3.416 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 -12.873 -6.878 -3.136 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 24.911 -23.249 21.403 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 25.721 -23.499 21.833 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 24.311 -23.989 21.573 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 -22.041 -9.291 -5.838 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 -21.121 -9.121 -6.068 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 -22.001 -10.081 -5.298 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 19.705 -3.100 23.884 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 18.765 -3.260 23.814 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 19.935 -3.380 24.764 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 12.987 13.404 -17.393 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 13.457 12.864 -16.763 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 12.987 14.284 -17.003 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -10.677 24.767 -10.918 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -11.117 25.597 -11.078 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -10.307 24.517 -11.768 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 -7.857 -0.157 20.010 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 -7.607 -0.947 20.490 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 -8.157 0.453 20.690 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 1.738 24.245 5.234 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 1.028 23.895 4.694 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 2.258 24.775 4.634 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 20.463 -14.198 -6.105 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 20.563 -13.878 -7.005 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 19.623 -14.658 -6.105 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 -22.142 4.534 23.483 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 -22.322 5.274 24.053 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 -22.272 3.754 24.033 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 11.971 -10.617 -15.899 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 12.241 -9.747 -16.189 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 11.261 -10.467 -15.289 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 -21.272 23.032 24.996 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 -20.422 22.862 25.406 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 -21.082 23.072 24.066 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 19.567 -18.954 -21.442 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 20.147 -18.204 -21.322 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 19.027 -18.984 -20.652 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 4.147 6.924 3.881 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 4.357 6.424 3.091 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 3.767 7.734 3.551 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -0.017 15.299 10.522 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 0.273 16.059 10.012 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -0.597 15.669 11.192 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 0.475 -2.515 11.849 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 0.755 -3.365 11.529 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 1.095 -2.315 12.549 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 8.253 -12.748 9.337 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 8.403 -12.088 8.657 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 7.313 -12.708 9.507 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 24.943 -20.988 -3.016 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 24.003 -21.158 -3.146 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 24.963 -20.298 -2.346 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 -22.494 -6.095 17.471 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 -23.304 -5.805 17.891 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 -21.804 -5.795 18.061 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 -1.947 2.574 -4.024 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 -2.547 3.224 -4.384 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 -2.297 2.374 -3.154 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 14.118 16.146 -16.467 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 14.758 16.846 -16.567 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 14.628 15.386 -16.207 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 15.147 8.972 25.214 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 15.347 8.372 24.494 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 15.967 9.442 25.364 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 9.744 9.572 -1.560 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 10.024 8.742 -1.180 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 9.754 10.192 -0.830 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 13.785 15.486 -23.947 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 13.915 16.426 -23.827 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 13.405 15.186 -23.127 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -12.811 9.007 17.628 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -13.461 8.687 17.008 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -13.301 9.207 18.418 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 -24.387 -24.326 -20.927 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 -24.567 -24.826 -20.137 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 -25.237 -24.226 -21.357 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 9.336 23.890 -2.479 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 8.776 24.170 -3.209 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 8.796 24.040 -1.699 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 9.162 4.102 12.316 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 8.682 4.612 12.976 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 9.502 4.752 11.706 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 -8.471 16.873 -15.259 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 -7.851 16.533 -14.619 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 -8.501 16.192 -15.939 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 13.484 -10.818 -0.162 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 12.754 -10.578 0.398 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 13.444 -11.778 -0.212 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 8.917 0.941 5.259 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 8.917 1.721 4.699 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 9.437 1.191 6.019 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 -20.581 9.091 8.523 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 -20.891 9.651 9.233 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 -20.431 9.681 7.793 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 14.765 -14.451 12.404 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 14.075 -14.021 11.904 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 14.835 -13.941 13.214 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 20.187 -2.266 8.121 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 20.257 -1.626 8.831 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 19.807 -3.036 8.531 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 9.442 -22.409 -13.481 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 8.522 -22.199 -13.621 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 9.582 -22.219 -12.551 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 3.594 -15.220 23.083 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 3.184 -14.510 22.583 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 3.264 -16.020 22.673 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 -18.932 13.265 19.544 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 -19.842 13.455 19.324 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 -18.702 13.925 20.194 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 18.308 18.172 -1.167 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 17.778 18.932 -1.387 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 17.748 17.422 -1.357 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 10.685 -18.031 -7.617 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 10.575 -17.281 -8.197 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 10.085 -17.861 -6.887 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 -22.764 12.291 -9.834 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 -22.314 12.561 -9.024 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 -22.614 11.351 -9.884 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 10.047 -0.279 -15.990 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 9.337 -0.789 -15.600 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 10.087 0.521 -15.470 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 17.652 15.006 -11.661 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 17.852 15.866 -11.301 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 18.502 14.556 -11.681 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 2.471 -17.262 -24.004 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 1.890 -16.652 -24.444 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 2.051 -17.442 -23.164 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 20.854 6.861 -1.875 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 20.334 6.061 -1.945 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 20.364 7.501 -2.385 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 4.949 25.341 -4.159 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 4.769 24.661 -3.509 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 5.269 26.081 -3.639 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 15.864 -13.439 9.615 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 16.604 -13.889 10.015 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 15.104 -13.769 10.095 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 8.513 10.432 -3.781 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 9.033 10.462 -2.981 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 8.083 9.572 -3.741 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 -10.441 -1.633 0.181 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 -10.711 -2.253 0.861 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 -10.781 -2.003 -0.639 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 2.137 -1.934 21.276 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 1.357 -2.384 20.966 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 2.757 -1.984 20.546 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 9.665 25.376 -24.778 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 9.955 24.956 -25.588 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 10.245 25.016 -24.108 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 -13.578 15.636 1.111 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 -13.238 15.406 0.241 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 -13.548 16.586 1.141 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 -12.809 14.093 6.189 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 -13.169 14.063 5.309 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 -11.939 13.723 6.109 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 -19.521 19.859 6.591 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 -19.451 20.079 7.521 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 -19.431 20.699 6.141 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 9.365 7.995 -11.021 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 9.775 8.185 -11.871 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 9.825 7.215 -10.711 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 18.036 9.382 -21.374 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 17.256 9.322 -21.934 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 18.766 9.262 -21.984 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -2.672 -20.838 23.826 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -3.502 -20.538 23.476 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -2.732 -20.678 24.766 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 0.853 3.096 -2.865 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 0.073 2.626 -2.585 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 1.123 2.656 -3.665 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 22.491 -10.628 -0.841 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 23.301 -10.538 -0.341 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 21.861 -10.068 -0.381 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 25.068 0.698 25.136 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 25.638 -0.012 24.836 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 24.548 0.928 24.366 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 6.478 16.805 6.188 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 6.198 16.675 7.088 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 7.088 17.545 6.228 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 -13.795 -2.472 -11.077 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 -14.405 -3.182 -10.857 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 -13.195 -2.862 -11.717 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 14.008 24.184 -20.317 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 13.398 24.724 -19.827 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 14.568 24.814 -20.777 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -23.454 -3.861 -22.340 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -24.014 -4.631 -22.260 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -24.054 -3.121 -22.250 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 24.908 15.946 -21.091 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 24.628 15.516 -20.291 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 24.128 16.406 -21.411 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -3.506 -15.634 -0.104 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -3.816 -15.584 0.806 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -2.566 -15.794 -0.024 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 15.221 5.055 13.311 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 15.490 4.835 12.411 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 14.930 4.225 13.681 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 20.106 -17.828 5.888 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 19.266 -17.768 6.338 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 19.916 -17.588 4.978 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 -19.829 -23.831 -15.724 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 -19.939 -24.671 -15.284 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 -19.040 -23.451 -15.344 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 12.335 24.976 -23.385 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 11.955 25.176 -22.525 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 12.635 24.066 -23.305 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -6.003 1.336 4.836 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -6.303 0.886 4.046 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -6.533 0.956 5.536 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 23.565 -24.619 11.036 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 23.495 -25.289 11.716 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 24.195 -23.989 11.386 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 -15.836 7.461 18.019 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 -15.906 8.411 17.959 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 -16.036 7.261 18.929 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 12.270 -8.406 -9.794 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 11.691 -8.856 -10.404 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 12.761 -7.796 -10.334 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 8.991 -22.058 -19.307 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 9.421 -22.468 -18.557 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 9.251 -21.138 -19.267 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 6.138 6.722 -9.818 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 6.068 6.872 -10.758 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 6.488 5.832 -9.748 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 -24.749 15.842 -12.775 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 -23.879 15.692 -13.145 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 -25.059 16.642 -13.195 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 10.954 24.407 15.812 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 10.014 24.527 15.752 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 11.284 25.227 16.172 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 -2.619 -4.273 -1.111 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 -1.709 -4.523 -0.951 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 -3.129 -5.033 -0.841 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 -23.704 -6.853 11.003 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 -24.164 -6.163 11.483 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 -24.294 -7.093 10.293 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 15.415 -22.878 -8.247 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 15.725 -23.788 -8.287 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 15.625 -22.518 -9.107 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 -17.058 -2.625 -21.670 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 -16.168 -2.635 -22.020 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 -17.578 -3.075 -22.350 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 -11.387 -11.828 3.473 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 -12.117 -11.268 3.743 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 -11.647 -12.708 3.743 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 -5.957 4.295 11.608 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 -6.187 4.535 10.708 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 -6.727 4.535 12.118 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 1.705 -2.686 -7.887 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 1.325 -3.506 -7.567 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 2.575 -2.936 -8.187 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 -23.680 6.184 21.926 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 -23.189 5.364 21.926 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 -23.290 6.704 22.636 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 -8.258 -24.816 15.509 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 -8.528 -24.346 14.719 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 -7.808 -24.156 16.039 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 -2.547 -8.733 -14.838 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 -2.147 -8.033 -14.338 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 -1.807 -9.243 -15.188 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 12.278 1.579 -21.040 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 12.588 2.489 -21.050 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 11.558 1.559 -21.660 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 8.374 -10.594 20.579 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 8.154 -9.884 21.189 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 8.564 -11.344 21.139 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 11.327 6.124 -13.242 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 10.497 5.834 -13.612 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 11.377 7.054 -13.462 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 -6.067 11.176 6.659 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 -6.697 11.706 7.149 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 -5.247 11.666 6.719 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 -8.075 20.294 -16.950 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 -7.955 19.524 -16.390 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 -8.155 21.024 -16.330 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 -4.548 -19.275 8.193 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 -5.468 -19.315 8.473 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 -4.358 -18.335 8.133 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 4.524 18.959 5.284 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 4.554 19.109 4.334 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 5.134 19.609 5.634 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -5.506 23.833 -3.151 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 -4.776 23.483 -2.641 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 -5.996 23.063 -3.431 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 -12.436 16.115 -12.083 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -11.686 15.545 -11.923 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -12.096 16.795 -12.663 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.517 -8.278 -14.610 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 21.857 -7.578 -15.170 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 21.277 -7.828 -13.800 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 5.837 -3.939 -5.727 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 5.237 -4.599 -5.397 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 5.377 -3.109 -5.587 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 0.061 10.832 11.587 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 0.651 11.582 11.617 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 0.361 10.332 10.817 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 20.862 -24.621 -17.717 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 20.792 -25.521 -17.407 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 19.992 -24.241 -17.537 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 5.023 22.993 -7.561 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 4.573 22.273 -8.011 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 4.333 23.633 -7.391 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 -18.893 -13.836 0.226 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 -19.683 -14.266 -0.094 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 -19.203 -13.146 0.816 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 16.959 4.156 1.475 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 17.669 3.556 1.245 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 16.619 3.816 2.305 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 -10.588 -11.258 -4.094 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 -10.658 -10.848 -4.964 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 -9.658 -11.188 -3.884 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 21.293 7.362 6.886 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 21.913 6.932 6.296 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 21.353 6.872 7.706 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 -24.665 25.151 -2.068 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 -24.055 25.671 -1.548 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 -24.455 25.351 -2.978 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 5.056 -1.599 -4.538 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 4.516 -1.369 -3.788 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 4.986 -0.839 -5.128 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -0.528 21.522 -2.118 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 0.332 21.592 -1.708 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -0.548 20.652 -2.508 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 21.807 2.332 -8.060 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 22.447 2.982 -7.800 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 20.987 2.622 -7.650 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 1.032 -5.338 0.276 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 1.282 -4.648 -0.344 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 1.562 -5.148 1.056 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 14.474 2.380 13.520 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 14.404 2.670 12.610 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 15.034 1.610 13.480 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 -1.988 -18.976 14.925 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 -2.008 -18.546 15.775 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 -1.678 -19.866 15.115 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 -8.806 15.151 -20.617 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 -8.936 14.331 -20.137 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 -9.666 15.351 -20.987 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 -2.741 -16.044 -4.964 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 -3.351 -16.774 -5.014 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 -2.661 -15.734 -5.874 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 18.562 -15.458 -3.348 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 19.282 -15.208 -3.918 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 18.862 -15.238 -2.468 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 18.786 4.064 -17.431 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 18.216 4.824 -17.351 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 18.196 3.314 -17.471 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 -18.358 -17.190 -3.096 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 -18.788 -17.700 -2.406 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 -18.988 -17.180 -3.816 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 -18.105 25.632 -22.844 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 -17.755 24.862 -23.294 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 -18.905 25.322 -22.434 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 -21.482 21.190 20.275 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 -20.992 20.850 21.025 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 -20.962 21.930 19.965 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 5.697 11.346 -21.080 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 5.097 12.096 -21.090 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 6.377 11.586 -20.450 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 19.972 11.942 17.558 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 19.492 12.542 18.138 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 20.602 11.512 18.128 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 13.824 -5.458 7.163 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 14.694 -5.668 6.823 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 13.844 -4.518 7.313 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 24.129 12.378 -14.943 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 24.269 13.208 -15.393 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 23.189 12.348 -14.783 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 2.628 4.569 -8.920 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 2.118 3.759 -8.820 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 3.338 4.329 -9.510 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 -9.706 -20.165 -19.983 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 -10.626 -20.115 -20.253 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 -9.256 -19.555 -20.563 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 13.647 -23.894 7.206 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 13.997 -23.544 6.386 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 14.417 -24.174 7.696 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 -7.485 0.451 7.825 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 -7.225 1.171 8.395 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 -7.905 0.871 7.075 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 -16.967 1.086 9.083 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 -17.517 1.836 9.293 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 -16.357 1.016 9.813 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 -22.221 1.822 -10.487 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 -22.021 2.052 -11.397 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 -22.261 0.872 -10.487 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 -0.377 8.310 18.532 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 -0.007 8.000 17.702 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 -0.857 9.110 18.302 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 23.433 23.378 -3.116 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 22.733 23.858 -2.676 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 24.223 23.638 -2.646 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -2.664 -15.656 -19.316 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -1.874 -15.906 -19.806 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -2.484 -14.766 -19.026 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 -12.306 4.214 -13.025 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 -12.356 4.564 -12.145 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 -13.166 4.414 -13.415 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 15.841 -0.690 -15.142 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 16.761 -0.710 -15.382 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 15.371 -0.580 -15.972 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -7.972 -13.982 -4.630 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -7.832 -13.212 -5.180 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -7.482 -13.802 -3.830 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 -15.483 16.877 -19.535 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 -16.093 17.537 -19.865 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 -14.673 17.027 -20.025 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -24.575 -11.740 -5.209 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -23.765 -12.050 -5.619 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -24.865 -12.490 -4.689 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 12.108 -5.112 11.311 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 11.718 -4.242 11.221 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 12.448 -5.312 10.441 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 22.932 -17.868 -0.728 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 22.852 -17.108 -1.308 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 23.852 -17.888 -0.478 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 -5.569 -21.314 -8.790 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 -5.630 -21.284 -9.750 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 -6.459 -21.504 -8.500 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 22.149 1.202 7.072 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 21.909 1.442 6.182 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 22.879 0.592 6.962 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 17.012 -8.790 -15.073 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 16.962 -8.830 -14.123 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 16.892 -9.700 -15.363 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 -24.444 22.559 -22.849 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 -25.124 22.859 -22.249 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 -24.854 22.609 -23.719 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 -0.307 14.899 -22.687 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 -1.207 15.209 -22.777 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 -0.177 14.329 -23.447 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -16.898 13.443 -5.064 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -17.118 13.173 -5.954 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 -16.308 12.763 -4.744 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 -15.175 -16.287 -16.291 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 -15.725 -17.047 -16.131 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 -15.775 -15.547 -16.271 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 -8.097 7.927 15.093 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 -7.727 8.077 15.963 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 -9.037 7.887 15.233 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 3.831 16.076 5.326 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 4.091 16.936 5.006 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 4.611 15.526 5.216 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 17.441 -19.732 21.598 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 16.990 -20.422 22.078 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 18.370 -19.872 21.788 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 11.369 -1.515 21.436 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 12.309 -1.515 21.596 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 10.999 -1.025 22.176 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 11.329 20.605 -4.855 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 11.189 21.285 -4.195 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 11.669 21.075 -5.615 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 -21.938 4.113 9.050 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 -22.788 3.763 8.760 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 -22.118 4.493 9.910 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 23.694 2.094 22.663 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 23.234 1.714 21.913 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 23.374 2.994 22.713 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 20.709 8.761 -13.092 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 19.919 9.081 -12.662 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 20.859 7.891 -12.712 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 2.958 5.850 -13.511 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 2.898 6.380 -12.721 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 2.828 6.470 -14.231 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 -16.807 0.408 19.400 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 -16.797 -0.232 20.110 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 -17.127 1.218 19.810 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 1.503 -22.015 -12.508 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 2.023 -21.865 -11.718 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 0.613 -22.185 -12.178 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 -6.717 22.060 11.186 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 -6.837 22.880 11.666 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 -6.587 22.340 10.276 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 -0.549 20.910 10.048 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 -0.820 21.460 10.778 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 0.411 20.890 10.108 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 10.292 16.570 11.514 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 9.942 17.440 11.684 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 10.002 16.350 10.634 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 -9.953 -23.134 7.972 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 -10.083 -24.064 7.802 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 -10.403 -22.974 8.802 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 -13.588 -16.864 18.356 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 -12.848 -16.394 17.986 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 -14.258 -16.854 17.666 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 -9.941 21.753 -20.111 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 -9.001 21.923 -20.011 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 -10.061 20.863 -19.781 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 14.209 -14.466 -0.535 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 13.819 -13.916 -1.215 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 14.149 -15.356 -0.875 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 10.689 7.322 -0.543 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 10.709 7.312 0.417 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 11.149 6.522 -0.803 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 3.871 -10.445 22.209 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.791 -9.675 22.779 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 3.641 -10.115 21.339 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 -24.544 22.343 -10.570 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 -25.294 22.743 -10.140 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 -24.654 22.563 -11.500 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 17.754 22.618 -7.948 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 17.574 21.778 -7.528 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 17.824 23.238 -7.228 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -15.823 21.643 -1.807 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -15.313 22.093 -1.137 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -15.923 20.753 -1.467 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 -7.381 17.592 -3.723 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 -7.611 18.472 -4.003 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 -6.951 17.202 -4.483 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 7.771 -17.566 -7.324 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 6.851 -17.576 -7.074 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 7.971 -18.466 -7.574 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 -11.458 -3.822 -20.064 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 -11.408 -4.782 -20.114 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 -11.038 -3.512 -20.874 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 16.414 20.784 24.281 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 16.894 20.934 25.101 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 16.324 21.664 23.901 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 12.352 -8.456 5.563 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 11.682 -8.046 6.103 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 13.012 -7.766 5.443 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -7.177 9.724 21.066 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -8.007 10.114 21.336 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -6.607 10.474 20.896 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 -22.226 -17.277 12.776 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 -22.886 -17.957 12.916 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 -22.056 -16.937 13.656 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -24.122 12.453 18.254 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -25.032 12.633 17.994 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -23.892 13.183 18.824 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -1.429 -4.102 -18.442 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -0.929 -4.052 -17.632 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -2.209 -3.582 -18.282 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 -15.675 9.552 -5.644 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 -15.225 8.742 -5.404 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 -14.975 10.142 -5.894 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 15.014 12.272 -21.876 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 14.184 11.882 -22.166 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 15.184 11.862 -21.026 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 15.257 -4.933 -22.783 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 15.047 -5.743 -23.243 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 14.407 -4.523 -22.613 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 9.572 5.306 -7.263 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 9.212 4.626 -6.693 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 9.532 6.106 -6.743 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 6.295 -21.128 -24.999 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 5.715 -20.408 -25.239 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 6.005 -21.398 -24.129 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 -18.921 -19.850 -20.761 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 -18.541 -19.350 -21.481 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 -19.501 -20.480 -21.191 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 1.723 -23.668 3.455 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 1.073 -23.788 4.145 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 1.623 -22.758 3.175 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 -7.458 3.822 5.775 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 -7.858 4.062 4.945 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 -6.548 3.622 5.555 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -6.774 -2.623 -5.402 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -6.974 -2.183 -4.572 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -5.814 -2.583 -5.462 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 -11.562 19.949 -12.297 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 -11.602 20.439 -13.117 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 -11.142 19.119 -12.537 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -6.063 -25.027 -21.556 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -6.763 -24.607 -21.046 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -5.763 -24.337 -22.156 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 -19.289 18.666 -3.604 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 -18.509 18.966 -3.154 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 -19.079 18.746 -4.534 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 -6.134 -3.680 17.101 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 -6.584 -4.310 16.551 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 -5.714 -4.210 17.781 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 14.841 18.104 4.038 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 15.650 17.604 4.028 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 14.411 17.844 4.858 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 -13.999 -17.111 -0.562 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 -14.889 -17.261 -0.232 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 -13.519 -16.761 0.188 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -3.445 21.699 10.888 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -2.915 21.069 11.388 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -3.985 22.129 11.548 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 -10.252 -11.856 6.280 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 -10.842 -11.146 6.040 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 -10.162 -12.376 5.470 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 23.752 21.113 13.217 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 24.182 20.303 12.937 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 23.122 20.833 13.877 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -3.214 1.469 14.510 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -3.354 1.999 13.730 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -2.564 1.949 15.010 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 10.946 16.252 18.674 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 10.306 15.992 19.334 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 11.776 15.892 18.984 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 3.122 1.653 11.074 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 2.652 1.123 10.424 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 4.002 1.273 11.104 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 22.161 -13.620 16.329 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 21.961 -13.650 17.269 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 22.141 -12.680 16.109 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 -10.283 -0.207 -18.054 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 -9.523 -0.767 -18.204 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 -10.763 -0.227 -18.884 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 -13.505 24.726 8.326 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 -14.335 24.286 8.166 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 -13.655 25.236 9.126 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 -20.239 -3.271 -18.290 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 -21.099 -3.211 -17.880 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 -20.170 -2.471 -18.810 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 -16.069 1.193 12.790 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 -16.899 1.293 13.240 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 -15.449 1.703 13.310 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 -7.566 25.593 24.656 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 -7.616 24.873 24.026 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 -7.306 25.183 25.476 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 -13.521 11.314 -21.365 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 -12.641 11.454 -21.005 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 -14.011 10.924 -20.645 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 10.276 -11.889 -20.331 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 10.366 -11.449 -19.481 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 10.076 -12.799 -20.111 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 -19.873 -0.253 17.693 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 -20.773 0.007 17.483 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 -19.433 -0.313 16.843 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 1.329 -4.044 18.670 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 0.669 -3.484 19.070 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 2.089 -3.974 19.240 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -18.326 -22.697 -11.666 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -17.656 -22.977 -12.286 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -18.506 -21.787 -11.896 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 5.683 -7.946 -6.604 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 5.173 -8.306 -7.334 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 5.033 -7.746 -5.934 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 -14.103 -13.553 -1.871 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 -13.743 -14.403 -2.121 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 -13.513 -12.913 -2.291 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 -19.268 -15.417 -15.274 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 -19.728 -15.917 -15.944 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 -19.918 -15.277 -14.584 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 -8.681 -9.216 -4.143 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 -8.621 -8.266 -4.313 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 -9.051 -9.276 -3.263 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 14.199 20.822 6.732 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 13.899 21.702 6.502 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 13.679 20.572 7.492 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 -1.696 12.806 -21.156 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 -1.286 13.636 -21.376 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 -0.986 12.166 -21.236 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 -4.374 -7.732 23.164 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 -3.824 -6.952 23.234 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 -4.234 -8.202 23.994 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 -6.176 -8.100 -6.838 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 -6.666 -8.500 -7.558 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 -5.696 -8.830 -6.438 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 -20.309 11.165 -20.970 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 -20.229 10.225 -21.090 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 -21.259 11.325 -20.950 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 -2.286 -11.269 -5.318 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 -1.846 -12.119 -5.338 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 -1.596 -10.649 -5.078 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 5.206 15.480 20.096 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 5.596 15.100 20.886 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 4.396 15.890 20.406 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -5.766 -20.138 13.714 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -5.666 -20.558 14.564 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -6.236 -20.768 13.174 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 -14.443 13.980 -19.727 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 -14.743 13.760 -20.617 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 -15.023 14.680 -19.447 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 24.292 -9.852 19.268 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 24.402 -8.922 19.048 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 24.352 -9.882 20.228 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 7.579 -4.966 11.951 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 8.329 -5.546 12.101 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 7.959 -4.096 11.851 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 7.807 -15.319 -14.429 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 7.707 -15.869 -13.649 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 6.927 -14.989 -14.609 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -7.995 16.212 -1.556 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -8.395 16.803 -0.926 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -7.825 16.762 -2.326 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -11.787 11.175 -10.135 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -12.477 11.645 -9.675 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -11.757 11.585 -11.005 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 -20.785 3.955 -17.330 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 -20.755 3.865 -16.380 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 -20.185 3.285 -17.660 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 4.692 8.450 18.548 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 3.762 8.310 18.348 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 5.152 8.000 17.838 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 20.842 -4.045 -6.407 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 20.962 -3.095 -6.357 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 21.602 -4.415 -5.957 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 12.252 16.156 -14.487 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 12.692 16.206 -15.337 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 11.352 15.916 -14.687 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -17.934 22.996 24.670 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -17.554 22.496 23.950 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -17.974 22.376 25.400 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 -1.523 -15.089 -7.101 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -0.863 -14.769 -6.491 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -1.433 -16.039 -7.081 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 22.745 -10.149 -18.004 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 21.815 -10.289 -17.854 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 22.855 -9.199 -17.994 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 20.478 -21.603 -23.074 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 21.198 -21.073 -23.444 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 20.108 -21.053 -22.384 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 -15.853 5.762 20.633 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 -16.223 5.012 20.173 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 -14.933 5.792 20.353 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 19.525 -21.715 15.851 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 19.295 -20.935 16.361 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 19.725 -21.385 14.981 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 -18.022 16.168 -7.567 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 -17.542 16.648 -6.887 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 -17.572 15.328 -7.637 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -15.817 -9.768 13.580 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 -14.957 -9.478 13.920 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 -15.857 -9.398 12.700 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -12.298 2.700 14.933 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -11.608 3.320 14.693 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -13.018 2.900 14.333 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 -17.585 -6.496 2.769 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 -18.425 -6.236 2.399 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 -16.955 -5.896 2.369 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -14.797 -9.861 7.154 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -14.147 -10.531 6.964 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -14.657 -9.191 6.474 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -15.524 7.394 -25.246 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -15.504 6.894 -24.426 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -14.644 7.314 -25.606 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 1.836 -1.606 -21.871 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 1.846 -1.026 -21.121 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 2.646 -2.106 -21.811 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -22.081 -10.133 -3.091 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -21.151 -9.903 -3.201 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -22.541 -9.303 -3.241 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 13.594 -9.925 19.118 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 13.024 -9.205 18.868 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 13.464 -10.585 18.428 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 -13.635 12.997 -12.688 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 -13.545 13.777 -12.128 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 -12.745 12.837 -13.008 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 18.792 16.974 18.715 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 19.202 17.154 17.865 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 19.522 16.824 19.305 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 -14.512 16.994 17.053 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 -15.272 17.284 16.553 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 -14.472 16.054 16.903 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 23.793 -16.165 -6.567 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 22.993 -16.385 -7.027 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 23.813 -15.205 -6.567 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 -9.015 1.370 -21.488 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 -9.585 1.070 -20.778 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 -8.415 0.640 -21.638 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 4.963 -1.557 -7.391 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 5.383 -1.708 -8.241 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 4.203 -1.018 -7.581 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 9.773 -20.796 -0.214 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 9.973 -21.716 -0.064 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 8.973 -20.816 -0.744 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 -20.785 23.626 -19.896 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 -21.155 23.816 -19.036 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 -19.965 23.186 -19.706 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 -24.116 20.201 3.787 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 -24.896 19.671 3.597 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 -24.276 20.541 4.667 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 -8.924 -22.809 23.197 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 -8.994 -23.619 22.687 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 -8.684 -23.099 24.077 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 18.554 15.461 -6.937 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 17.714 15.001 -6.927 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 18.534 15.971 -7.747 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 4.665 -13.213 6.764 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 5.215 -13.473 6.024 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 4.285 -14.033 7.074 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -23.503 20.432 12.896 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -23.133 19.822 12.266 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -23.523 21.272 12.446 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 11.368 -19.593 13.253 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 11.498 -18.833 12.683 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 10.718 -19.293 13.893 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 18.465 -11.508 -9.800 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 18.035 -11.388 -10.650 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 19.315 -11.088 -9.900 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 22.907 8.048 12.703 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 22.597 8.058 13.603 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 22.807 7.138 12.423 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 -10.014 -18.577 6.403 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 -10.204 -17.707 6.033 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 -10.234 -18.487 7.333 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -14.276 3.585 -10.904 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -14.356 3.405 -11.844 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -14.756 2.865 -10.484 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 0.196 8.994 -18.944 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 1.056 9.344 -18.694 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 -0.414 9.424 -18.354 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 -13.761 21.323 -23.837 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 -14.231 20.533 -23.557 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 -12.901 21.243 -23.427 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 4.781 -24.810 -19.259 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 5.251 -23.980 -19.369 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 3.881 -24.540 -19.049 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 -13.253 -9.929 2.483 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 -13.733 -9.919 1.653 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 -13.533 -9.129 2.923 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -3.914 -23.593 -11.916 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -4.124 -24.173 -11.186 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -3.044 -23.873 -12.206 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 -3.957 4.497 -4.388 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 -4.677 4.797 -3.848 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 -4.317 4.457 -5.278 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 -10.983 10.718 8.587 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 -11.683 10.868 9.227 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 -11.443 10.358 7.827 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 23.069 23.852 13.263 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 22.279 23.922 12.713 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 23.219 22.912 13.343 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 -11.704 2.642 -0.078 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 -12.444 2.653 -0.688 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 -12.014 3.152 0.672 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 9.372 5.334 -24.477 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 8.622 5.634 -23.947 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 9.512 4.434 -24.197 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 -8.213 -12.506 -15.688 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 -8.083 -11.586 -15.918 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 -7.333 -12.846 -15.578 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 10.843 -3.895 -2.978 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 10.343 -4.705 -2.838 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 10.423 -3.485 -3.728 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 -17.921 10.931 23.279 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 -17.141 10.671 23.769 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 -18.471 11.391 23.919 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -3.788 -4.947 -23.686 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -4.508 -4.317 -23.736 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -2.998 -4.417 -23.846 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 14.251 12.312 -15.243 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 13.781 11.732 -14.643 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 15.171 12.252 -14.973 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 -14.445 -7.726 -3.384 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 -15.235 -7.526 -2.884 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 -14.345 -8.676 -3.334 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 9.237 6.032 17.632 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 10.037 5.682 18.012 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 9.447 6.942 17.442 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 -21.479 -19.663 24.876 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 -22.089 -20.393 24.966 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 -20.639 -20.083 24.686 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 -16.793 -14.026 11.038 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 -16.863 -13.156 11.418 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 -16.343 -13.886 10.198 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 -2.557 11.285 14.310 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 -2.797 12.185 14.090 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 -3.387 10.825 14.390 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 -0.088 4.404 11.871 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 -0.338 4.234 10.961 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 0.842 4.164 11.911 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 11.634 -7.304 -1.145 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 11.204 -7.954 -0.575 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 11.514 -6.474 -0.685 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -19.841 -12.646 22.221 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -19.561 -11.836 21.801 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -20.511 -12.376 22.851 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 24.639 -20.235 -20.757 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 23.759 -19.855 -20.687 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 24.879 -20.125 -21.677 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 -7.185 -0.941 -22.647 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 -6.365 -0.721 -23.077 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 -7.165 -1.891 -22.537 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 -12.723 -17.698 9.557 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 -13.663 -17.748 9.757 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 -12.603 -16.838 9.167 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -17.790 -16.672 -7.937 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -18.709 -16.922 -8.067 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -17.450 -16.502 -8.817 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 11.214 11.610 -10.189 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 11.824 11.080 -9.669 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 11.604 12.490 -10.179 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 10.522 -24.053 -21.089 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 10.852 -23.603 -21.869 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 10.032 -23.373 -20.629 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 -22.952 18.196 14.533 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 -22.402 17.416 14.603 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 -22.462 18.786 13.973 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 -0.603 -0.646 -24.687 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 -1.223 0.064 -24.547 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 0.247 -0.266 -24.457 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -3.003 -5.552 23.829 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -2.343 -5.442 24.509 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -3.503 -4.742 23.839 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 -19.656 23.903 -1.907 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 -19.406 24.503 -1.197 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 -19.456 23.033 -1.567 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 20.457 12.894 -8.033 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 20.447 13.834 -7.903 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 19.867 12.544 -7.373 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 -4.613 0.096 -25.194 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 -5.263 0.506 -25.764 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 -4.633 0.626 -24.404 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -18.158 10.318 -16.364 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -17.398 10.798 -16.694 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -18.858 10.978 -16.324 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 -23.734 21.960 -19.884 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 -23.394 22.350 -20.684 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 -23.304 22.440 -19.174 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 -4.522 20.861 15.078 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 -5.412 20.931 15.418 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 -4.352 21.731 14.708 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 -10.941 7.272 0.579 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 -10.031 7.022 0.499 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 -11.361 6.912 -0.201 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 7.708 -18.788 22.187 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 7.918 -19.518 22.767 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 7.548 -18.058 22.787 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 16.032 -23.271 0.445 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 15.762 -22.691 1.155 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 15.832 -24.151 0.755 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -15.674 14.002 -15.183 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -14.994 13.412 -14.833 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -15.244 14.852 -15.223 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 0.511 -23.916 -0.788 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 0.191 -23.576 -1.618 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -0.159 -24.546 -0.508 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 3.698 -0.100 -9.727 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 3.388 -0.880 -10.177 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 3.108 -0.000 -8.987 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 9.822 -18.839 3.449 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 10.722 -19.139 3.509 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 9.812 -18.009 3.939 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 10.412 1.498 12.726 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 10.782 1.288 13.576 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 9.622 2.008 12.916 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 -24.131 -5.111 1.770 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 -23.781 -5.811 1.220 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 -25.071 -5.301 1.840 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 -11.201 5.051 -9.444 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 -11.391 4.861 -8.524 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 -11.101 6.001 -9.484 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 -4.749 -11.272 -3.114 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 -4.100 -11.432 -3.794 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -5.019 -12.142 -2.824 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -17.906 17.242 6.229 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -18.126 18.162 6.349 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -17.436 17.222 5.389 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -4.875 0.208 10.805 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -4.385 -0.622 10.875 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -5.235 0.348 11.675 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 -19.126 -12.757 15.249 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 -19.626 -12.177 15.819 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 -18.986 -12.247 14.449 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 21.549 13.351 4.144 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 22.139 13.271 3.394 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 21.739 14.211 4.514 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 -16.578 -9.026 -24.794 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 -16.618 -8.976 -23.834 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 -17.148 -9.746 -25.024 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 13.505 -0.713 -20.507 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 13.445 0.237 -20.607 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 12.585 -1.003 -20.457 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 12.410 -3.299 -15.514 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 12.860 -3.539 -16.324 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 12.980 -3.629 -14.814 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -8.009 15.806 7.120 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.099 15.126 7.790 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -7.599 16.536 7.570 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 -8.834 -12.282 -22.066 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 -9.344 -13.022 -21.736 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 -9.314 -11.512 -21.766 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 15.155 8.898 -6.874 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 15.805 8.988 -6.164 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 14.855 7.988 -6.804 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 10.619 21.983 12.480 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 10.839 22.883 12.710 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 10.329 21.593 13.300 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 0.633 11.974 -10.728 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 1.073 11.754 -11.558 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -0.287 11.784 -10.898 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 9.993 -2.993 -12.159 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 9.583 -2.163 -12.409 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 9.313 -3.463 -11.689 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 -4.967 16.751 17.300 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 -4.197 16.411 16.850 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 -4.957 16.321 18.160 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 -2.037 -0.367 -5.424 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 -2.697 -0.007 -4.834 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 -2.507 -1.027 -5.934 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -17.408 -13.223 -3.714 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -17.188 -13.303 -2.784 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -17.168 -14.063 -4.094 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 22.778 -5.203 23.990 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 22.038 -4.923 24.520 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 23.208 -4.393 23.730 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 -23.688 -10.087 -0.457 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 -24.488 -9.697 -0.807 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 -23.598 -9.707 0.413 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 -22.272 -3.058 6.252 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 -21.502 -3.588 6.452 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 -22.952 -3.688 6.032 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 -2.332 4.833 9.798 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 -2.602 3.933 9.678 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 -2.532 5.033 10.718 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -18.392 12.721 1.598 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -19.302 12.731 1.898 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -17.872 12.881 2.388 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 2.342 -23.521 -18.661 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 1.402 -23.671 -18.521 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 2.442 -22.571 -18.601 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 19.298 -11.234 -4.443 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 18.688 -10.824 -5.063 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 18.958 -12.114 -4.313 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -11.265 -2.288 8.567 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -11.245 -1.858 9.427 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -10.495 -1.948 8.117 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 22.075 20.022 -7.180 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 22.195 19.242 -6.650 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 21.165 19.982 -7.470 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 23.653 -10.344 -11.320 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 23.233 -10.304 -12.180 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 24.513 -10.714 -11.490 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -21.903 1.037 1.505 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -21.383 0.287 1.765 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -22.703 0.967 2.015 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 15.585 -2.651 -21.001 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 15.805 -3.021 -21.861 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 14.955 -1.961 -21.191 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 5.455 -4.368 -12.828 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 4.575 -4.158 -13.108 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 5.875 -4.738 -13.608 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 -14.876 -7.003 13.123 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 -14.746 -7.043 12.173 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 -14.376 -6.223 13.393 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 17.926 7.618 23.030 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 18.396 7.118 23.690 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 17.966 7.078 22.240 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 -19.766 -8.574 1.523 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 -19.576 -9.484 1.733 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 -19.276 -8.074 2.183 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 -8.464 -21.092 3.289 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 -8.364 -21.992 2.979 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 -9.414 -20.982 3.379 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 5.613 -13.634 15.880 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 6.413 -13.864 15.410 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 5.003 -14.344 15.670 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 -24.047 -4.212 19.844 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 -24.197 -3.262 19.904 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 -23.307 -4.372 20.414 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 22.517 -19.124 5.903 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 22.847 -19.554 6.683 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 21.647 -18.814 6.143 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 12.599 -4.814 21.741 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 11.689 -5.114 21.661 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 12.869 -4.634 20.841 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 -13.073 11.209 2.422 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 -13.583 10.589 2.942 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 -13.083 10.839 1.532 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 -12.921 -0.670 5.883 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 -12.571 -0.350 5.053 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -12.411 -1.460 6.073 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 22.598 -6.657 -16.434 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 23.438 -6.737 -16.894 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 22.078 -6.067 -16.984 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 16.226 15.063 -15.137 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 16.946 14.803 -15.707 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 16.456 14.703 -14.277 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 -7.609 -8.316 18.873 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 -7.189 -8.566 19.693 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 -7.659 -7.366 18.903 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 -11.811 -7.868 20.260 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 -11.151 -8.448 19.880 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 -12.081 -8.298 21.070 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 17.745 -12.244 -15.774 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 17.845 -13.144 -16.074 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 16.805 -12.074 -15.844 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 -11.194 16.303 18.313 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 -11.214 16.023 17.403 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 -10.934 17.233 18.273 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 -7.907 2.457 -15.648 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 -7.737 3.377 -15.858 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 -8.857 2.377 -15.668 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 10.764 -6.961 -17.327 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 10.954 -6.431 -16.557 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 11.604 -7.321 -17.587 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 -14.592 18.693 -24.491 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 -13.992 18.983 -25.171 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 -15.462 18.783 -24.881 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 18.933 -12.374 24.016 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 18.753 -12.814 24.846 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 18.183 -11.804 23.876 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 -23.132 -2.843 3.344 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 -23.382 -3.493 2.674 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 -22.792 -3.363 4.064 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 15.222 -11.282 -19.927 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 14.512 -11.052 -20.517 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 15.932 -10.672 -20.157 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 14.629 -16.142 4.449 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 14.259 -15.602 3.749 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 14.339 -15.712 5.249 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 9.712 -3.763 21.504 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 8.942 -3.463 21.994 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 10.192 -2.963 21.294 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 -3.063 7.889 -18.895 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 -3.213 6.959 -18.775 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 -3.623 8.319 -18.255 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 -0.865 -2.387 19.142 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 -1.655 -2.447 19.682 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 -1.155 -1.897 18.372 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 23.946 -20.284 -7.597 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 24.576 -19.914 -6.977 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 24.266 -21.174 -7.757 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 25.241 15.136 18.466 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 25.761 15.566 17.786 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 24.351 15.126 18.126 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 21.951 -24.809 8.683 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 22.321 -25.649 8.423 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 22.401 -24.599 9.503 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -24.814 24.525 -17.349 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -25.504 24.115 -17.869 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -25.144 25.405 -17.169 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 8.615 -21.368 5.793 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 9.075 -20.538 5.703 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 9.055 -21.808 6.523 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 -21.917 -7.055 -24.828 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 -21.017 -7.245 -25.098 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 -22.457 -7.615 -25.388 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 -19.244 -24.601 -4.534 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 -19.304 -25.551 -4.394 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 -18.444 -24.491 -5.054 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 -17.753 -19.847 23.678 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 -18.383 -20.367 24.178 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 -16.903 -20.237 23.888 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 14.542 0.037 -4.154 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 14.802 0.437 -4.984 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 15.362 -0.093 -3.684 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 -9.614 -5.730 12.663 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 -8.994 -5.250 13.203 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 -9.084 -6.140 11.983 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 17.107 -13.238 -4.160 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 16.647 -12.648 -3.560 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 17.557 -13.858 -3.600 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 14.467 -7.344 -23.187 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 14.187 -8.204 -22.857 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 15.407 -7.334 -23.027 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 9.943 8.744 7.723 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 10.183 9.244 8.513 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 9.333 9.314 7.253 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 -10.887 -5.918 24.098 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 -10.827 -6.338 24.948 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 -10.997 -6.648 23.478 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 10.726 22.752 -22.600 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 10.806 21.822 -22.410 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 9.786 22.892 -22.730 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 12.826 18.430 9.580 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 13.356 18.080 8.870 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 12.206 19.020 9.150 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -24.169 25.277 -7.254 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -24.979 25.177 -6.754 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -23.929 24.387 -7.524 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 -9.756 -9.189 9.553 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 -10.306 -8.679 10.153 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 -8.866 -8.939 9.783 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 1.877 -5.366 -10.462 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 2.757 -5.476 -10.102 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 1.337 -5.976 -9.972 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 8.013 -8.843 1.435 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 7.353 -9.523 1.325 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 7.943 -8.303 0.645 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 15.607 -11.013 -2.984 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 15.647 -10.063 -3.074 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 14.987 -11.293 -3.664 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 16.832 3.803 -5.440 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 16.992 2.862 -5.350 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 15.942 3.933 -5.120 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 -15.871 1.907 4.352 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 -16.011 2.387 5.162 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 -15.491 1.067 4.632 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 -24.597 14.504 -9.500 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 -23.787 14.874 -9.140 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 -24.417 13.564 -9.550 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 12.733 1.029 20.745 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 12.583 1.909 21.095 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 13.593 1.079 20.325 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 19.325 2.600 16.590 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 19.365 3.420 16.110 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 20.035 2.660 17.230 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 12.262 -13.078 -1.734 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 11.422 -13.488 -1.514 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 12.022 -12.238 -2.134 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 15.059 -1.204 -8.397 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 14.219 -1.234 -8.857 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 15.709 -1.304 -9.097 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 19.749 12.922 -2.114 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 20.239 13.562 -2.614 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 19.889 13.162 -1.194 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 11.728 13.890 16.042 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 11.578 14.360 15.212 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 12.258 14.490 16.562 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -17.031 24.060 20.420 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -16.261 24.620 20.340 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -16.731 23.200 20.110 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 19.347 17.613 21.473 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 18.847 18.413 21.623 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 20.267 17.893 21.513 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -22.677 -20.308 12.667 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -22.217 -20.488 13.487 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -21.987 -20.218 12.017 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -20.496 19.677 -23.644 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -20.356 19.167 -24.444 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -20.976 20.447 -23.944 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 11.740 5.753 19.183 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 12.200 6.553 18.923 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 12.411 5.213 19.613 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 -20.666 -8.449 4.842 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 -19.996 -8.919 4.352 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 -20.846 -9.009 5.602 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 13.329 -18.488 8.394 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 12.539 -18.038 8.704 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 13.719 -18.848 9.184 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 20.079 9.053 -23.222 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 19.299 8.923 -23.762 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 20.809 9.013 -23.832 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 -24.877 17.661 -4.541 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 -25.217 16.991 -3.941 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 -25.517 18.371 -4.491 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -6.496 -17.334 24.038 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -6.746 -17.794 23.228 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -7.226 -17.494 24.638 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 1.608 -19.071 22.333 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 2.328 -19.571 22.713 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 1.648 -19.281 21.403 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 -13.145 1.782 -7.672 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 -13.115 1.312 -8.502 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 -13.985 2.222 -7.682 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 0.988 -5.987 -5.774 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 0.508 -5.197 -5.524 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 0.548 -6.697 -5.324 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 -18.739 13.534 -23.873 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 -18.629 14.054 -23.083 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 -18.139 13.924 -24.503 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 -8.092 -7.413 -21.478 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 -8.852 -7.973 -21.338 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 -8.342 -6.833 -22.198 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -13.841 -19.511 -4.507 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -14.381 -19.061 -3.857 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -14.471 -19.921 -5.097 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 -24.527 -0.832 1.640 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 -24.107 -1.682 1.780 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 -24.757 -0.532 2.520 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 22.047 14.706 24.774 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 21.497 14.726 25.554 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 21.847 13.866 24.364 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 20.845 -24.678 4.774 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 20.225 -24.708 4.054 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 20.715 -23.808 5.164 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 -20.847 -6.736 -8.944 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 -20.807 -6.326 -8.084 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 -20.457 -7.606 -8.814 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -3.216 -5.504 -15.670 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -2.466 -6.094 -15.550 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -2.906 -4.654 -15.350 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 -22.609 -1.337 -24.817 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 -22.739 -0.837 -24.007 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 -21.659 -1.337 -24.937 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 19.402 -20.182 -5.064 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 19.062 -19.652 -5.784 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 19.372 -19.592 -4.304 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 -13.973 14.926 -23.907 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 -13.133 14.906 -23.457 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 -14.003 15.796 -24.327 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 12.196 -13.518 15.662 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 13.026 -13.888 15.962 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 11.536 -14.058 16.102 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 2.694 -20.971 15.948 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 2.134 -20.201 15.828 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 2.784 -21.341 15.078 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 -21.136 -3.220 -7.141 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 -20.226 -2.960 -7.101 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 -21.166 -4.070 -6.701 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 6.799 -23.746 21.933 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 7.639 -23.456 21.603 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 6.939 -23.906 22.863 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 -1.565 -11.647 9.990 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 -0.935 -12.067 10.570 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 -2.195 -11.227 10.580 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 19.407 -4.388 15.016 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 19.727 -4.268 14.126 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 20.137 -4.118 15.576 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 22.432 -18.864 16.729 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 21.582 -19.224 16.989 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 22.232 -18.294 15.979 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 16.533 13.512 -6.484 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 16.703 12.952 -5.724 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 16.213 12.912 -7.154 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -19.738 -0.974 -19.348 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -19.138 -0.374 -18.908 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -19.928 -0.544 -20.188 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 -13.471 5.406 19.449 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 -13.591 4.516 19.119 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 -13.541 5.966 18.679 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -21.062 9.542 12.243 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -20.962 9.422 13.183 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -21.992 9.712 12.113 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 -13.446 3.745 5.858 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 -13.306 3.325 6.718 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 -13.666 3.025 5.278 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 -10.628 -11.944 22.272 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 -10.878 -12.814 21.982 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 -10.948 -11.354 21.592 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -23.548 -18.133 -19.010 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -23.788 -18.913 -18.520 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -23.898 -18.273 -19.880 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 -13.628 6.075 2.302 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 -13.618 6.235 3.252 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 -12.708 6.095 2.042 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 -11.451 -16.073 -9.799 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 -11.241 -16.993 -9.639 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 -12.151 -16.103 -10.459 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 -18.117 3.567 -7.178 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 -18.917 3.877 -7.598 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 -18.357 3.437 -6.258 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -3.269 -2.193 -24.222 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -3.479 -1.423 -24.752 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -3.039 -1.823 -23.362 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 8.719 7.478 -17.221 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 8.879 6.538 -17.331 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 7.879 7.618 -17.651 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 11.947 -15.932 -20.012 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 11.517 -15.232 -19.512 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 12.747 -15.522 -20.342 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 9.532 21.288 24.223 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 9.592 20.938 23.333 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 9.792 22.198 24.153 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 -24.359 15.010 3.860 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 -24.989 14.290 3.880 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 -23.850 14.900 4.660 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 22.384 -22.062 14.295 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 22.464 -21.132 14.505 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 21.994 -22.442 15.075 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 21.077 11.892 20.324 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 21.877 11.502 20.704 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 20.417 11.202 20.414 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 3.462 7.945 0.359 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 2.642 7.495 0.179 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 3.292 8.465 1.149 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 11.714 5.078 4.158 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 10.794 4.838 3.998 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 11.904 4.728 5.028 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 9.732 -7.310 -24.741 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 9.652 -8.050 -24.141 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 10.402 -7.580 -25.371 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 -12.102 11.671 -3.564 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 -11.182 11.441 -3.404 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 -12.592 10.971 -3.144 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -11.474 -12.789 -6.739 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -12.054 -12.319 -6.139 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 -10.654 -12.289 -6.719 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 8.585 12.275 -20.626 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 9.535 12.345 -20.716 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 8.245 12.985 -21.176 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 -16.415 11.111 18.143 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 -16.565 11.151 17.193 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 -16.915 11.851 18.493 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 -15.356 20.539 14.010 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 -15.156 21.299 13.460 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 -14.916 20.719 14.840 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 17.221 -15.071 11.281 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 17.721 -15.551 11.941 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 16.361 -14.941 11.691 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 22.361 -11.032 16.908 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 22.281 -10.082 16.768 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 23.041 -11.112 17.578 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 18.089 12.785 3.619 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 18.399 12.595 4.509 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 18.409 12.045 3.099 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -2.482 23.311 -2.765 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -1.742 22.841 -2.365 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -2.082 23.801 -3.485 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 15.775 24.826 -8.786 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 15.925 23.886 -8.696 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 15.305 24.916 -9.616 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 -6.647 13.268 23.686 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 -5.917 13.698 24.146 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 -7.167 12.858 24.376 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 -18.581 2.389 18.103 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 -17.891 1.789 18.383 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 -19.341 1.839 17.963 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 -20.587 1.392 4.216 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 -20.487 0.682 4.846 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 -21.167 1.032 3.536 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 -9.799 -22.728 -14.153 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 -9.079 -23.338 -14.223 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 -10.509 -23.128 -14.653 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 -8.405 0.603 -12.630 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 -9.025 0.723 -13.350 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 -7.865 1.393 -12.650 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -8.034 5.845 -17.007 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -7.374 6.485 -16.737 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -8.764 5.965 -16.397 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 -14.533 23.189 24.339 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 -15.423 23.469 24.539 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 -14.263 22.669 25.089 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 20.564 -3.974 -23.646 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 20.914 -4.664 -23.076 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 19.614 -4.114 -23.616 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -4.479 -10.900 23.176 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -5.279 -10.440 22.926 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -3.839 -10.200 23.346 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 -17.445 2.348 2.127 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 -17.015 1.918 2.867 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 -17.875 1.638 1.657 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 2.597 9.001 -4.377 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 1.647 9.061 -4.287 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 2.947 9.391 -3.577 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 8.862 18.606 -5.040 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 8.282 19.356 -5.120 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 9.342 18.756 -4.220 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 -11.282 23.179 -8.720 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 -11.032 24.069 -8.440 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 -11.352 23.239 -9.670 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 -4.855 -1.019 16.333 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 -5.725 -0.639 16.173 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 -4.975 -1.959 16.193 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 22.702 22.489 8.447 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 22.742 23.219 7.837 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 22.082 21.869 8.047 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 19.684 12.049 9.663 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 20.344 11.389 9.423 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 18.864 11.709 9.293 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 1.795 -15.017 10.946 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 2.165 -14.858 10.076 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 1.435 -15.907 10.896 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 -11.503 4.456 21.103 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 -12.223 4.576 21.723 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 -11.933 4.406 20.243 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 4.497 -16.772 -15.668 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 4.807 -17.672 -15.548 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 3.777 -16.682 -15.038 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 10.275 13.612 12.359 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 10.525 14.492 12.649 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 9.315 13.632 12.329 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 -17.017 0.291 -5.144 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 -16.807 -0.499 -5.644 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 -17.847 0.071 -4.704 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 -10.689 8.352 15.402 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 -11.439 7.942 15.832 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 -10.659 7.922 14.542 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 -18.268 1.766 -15.305 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 -18.628 2.456 -14.745 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 -19.038 1.316 -15.655 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 16.834 -20.008 -24.327 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 16.304 -20.278 -23.577 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 16.224 -19.988 -25.057 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 7.812 -1.859 -14.912 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 7.742 -2.809 -14.882 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 7.762 -1.579 -14.002 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 25.328 -17.938 23.763 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 25.248 -18.358 24.623 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 24.628 -17.288 23.743 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 -19.011 -6.662 6.324 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 -19.291 -7.292 5.664 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 -19.801 -6.462 6.824 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 -19.035 -21.881 0.111 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -18.315 -22.161 -0.449 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 -19.565 -22.661 0.231 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 11.158 -19.599 6.722 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 11.848 -19.239 6.162 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 11.628 -19.989 7.462 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 -2.384 6.350 -24.268 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 -2.444 7.150 -24.788 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 -2.774 6.580 -23.428 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 -11.607 18.215 -9.476 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 -11.037 17.835 -8.806 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 -11.597 19.155 -9.286 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 -21.709 15.672 0.552 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 -21.099 16.032 1.202 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 -21.229 15.722 -0.278 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 -10.993 21.999 14.830 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 -11.033 21.049 14.660 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 -11.183 22.079 15.770 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 -23.844 -16.486 -9.554 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 -24.074 -16.616 -10.474 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 -23.484 -17.336 -9.274 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 23.278 1.297 -23.396 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 23.278 0.337 -23.426 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 23.728 1.567 -24.196 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 7.444 -7.788 -13.418 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 7.804 -8.028 -12.568 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 8.064 -7.148 -13.778 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 -20.246 -20.074 13.871 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 -19.296 -19.954 13.951 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 -20.466 -19.644 13.041 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 15.758 11.687 18.108 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 16.608 11.297 17.868 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 15.988 12.407 18.688 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 -21.225 14.584 -2.542 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 -21.525 14.204 -3.372 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 -20.405 15.024 -2.762 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 13.967 -5.653 -4.069 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 14.427 -5.913 -3.269 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 14.437 -6.123 -4.769 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 4.865 -8.208 -15.487 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 4.875 -7.248 -15.507 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 5.765 -8.458 -15.667 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 11.545 21.873 -10.684 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 10.735 22.163 -10.264 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 11.825 21.113 -10.174 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 16.286 -10.146 -24.065 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 16.426 -9.466 -24.715 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 16.826 -9.886 -23.315 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 -6.857 -18.150 -18.126 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 -7.317 -17.370 -17.816 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 -6.627 -17.950 -19.036 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 12.949 18.458 -22.066 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 13.779 18.798 -22.406 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 12.549 19.208 -21.626 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 18.227 -12.795 1.775 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 18.697 -13.145 2.535 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 17.577 -13.465 1.565 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 13.471 6.588 15.184 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 14.251 6.518 14.624 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 12.951 5.818 14.974 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 22.768 -6.633 17.031 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 22.668 -6.573 17.981 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 23.558 -7.163 16.901 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 12.034 12.372 -13.063 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 11.274 12.802 -13.463 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 12.134 12.812 -12.213 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 -18.648 -2.512 -0.580 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 -17.838 -2.742 -0.120 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 -18.558 -2.922 -1.440 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 3.648 -0.565 19.184 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 3.518 0.355 19.434 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 3.028 -0.715 18.474 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 -4.844 4.708 -7.024 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 -4.314 4.768 -7.814 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 -5.624 4.238 -7.294 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 -2.408 -19.072 -18.314 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 -2.238 -18.512 -17.554 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 -3.198 -18.692 -18.714 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 24.416 5.903 -15.864 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 24.806 5.123 -15.484 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 25.126 6.533 -15.914 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 -17.863 0.922 6.578 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 -17.543 0.942 7.488 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 -18.813 0.992 6.658 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 19.017 -10.538 19.385 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 19.387 -11.378 19.655 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 19.277 -9.928 20.075 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 -16.665 7.722 -20.679 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 -17.185 7.192 -20.079 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 -16.355 8.452 -20.149 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 10.751 11.578 -17.774 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 9.851 11.818 -17.594 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 11.271 12.288 -17.384 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 -20.569 23.904 22.478 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 -21.059 23.864 21.658 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 -20.259 24.804 22.528 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 11.743 -22.167 12.049 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 11.493 -21.337 11.639 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 12.183 -21.907 12.859 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 19.287 -21.938 -2.381 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 19.327 -22.428 -1.561 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 18.717 -22.458 -2.941 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 -3.447 -3.678 -10.998 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 -3.067 -3.128 -10.308 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 -4.157 -4.158 -10.558 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 16.026 7.879 -22.864 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 16.536 7.219 -23.324 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 15.496 8.299 -23.544 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 -1.687 -1.198 14.972 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 -1.727 -0.278 14.742 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 -2.457 -1.338 15.532 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 0.902 22.173 3.273 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -0.038 22.073 3.133 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 1.272 21.343 2.993 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 12.097 -18.653 -19.330 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 12.077 -17.693 -19.410 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 11.167 -18.903 -19.310 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 2.406 -22.972 -21.667 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 1.836 -23.382 -22.327 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 2.486 -23.622 -20.977 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 -14.827 17.492 5.873 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 -15.067 16.632 6.213 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 -14.157 17.302 5.203 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 19.479 19.801 14.436 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 18.529 19.771 14.336 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 19.809 19.101 13.886 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 7.371 -16.905 16.134 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 7.311 -16.345 16.904 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 6.541 -16.785 15.684 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 -9.184 -23.851 12.789 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 -9.024 -23.361 11.979 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 -9.924 -23.411 13.189 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -13.725 1.674 21.649 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -13.975 0.784 21.879 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -13.165 1.974 22.369 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -2.102 2.138 -23.995 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -2.522 2.388 -23.165 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -2.822 1.828 -24.545 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 -12.011 1.598 -25.373 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 -12.541 2.158 -24.813 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 -11.121 1.938 -25.263 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 -12.556 -17.453 23.183 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 -12.426 -16.773 23.853 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 -13.326 -17.933 23.473 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 -15.197 -3.598 12.812 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 -15.837 -3.028 12.392 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 -15.577 -3.798 13.672 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 2.633 17.382 13.066 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 2.023 16.942 13.656 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 2.553 16.912 12.236 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 16.741 14.060 19.433 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 15.971 14.600 19.623 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 17.221 14.550 18.763 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -19.475 8.852 -18.476 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -19.305 9.772 -18.276 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -20.085 8.562 -17.806 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 15.164 18.295 -2.423 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 15.504 19.185 -2.533 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 15.464 17.835 -3.213 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 11.321 -22.983 19.443 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 11.191 -23.203 18.513 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 12.061 -23.523 19.713 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 -1.757 -22.903 22.018 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 -2.157 -22.063 22.258 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 -0.887 -22.663 21.688 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 -12.623 19.004 16.535 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 -13.513 18.694 16.705 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 -12.543 18.994 15.575 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 19.109 12.399 -5.268 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 18.939 13.319 -5.058 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 18.559 11.909 -4.658 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 14.446 3.139 -3.142 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 14.836 3.309 -2.282 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 13.506 3.079 -2.972 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 19.652 18.577 -16.471 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 18.772 18.307 -16.741 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 19.582 18.717 -15.531 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 -9.238 -4.818 5.595 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 -9.478 -5.568 5.045 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 -8.318 -4.648 5.395 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 16.789 -4.264 23.057 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 16.079 -4.884 23.217 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 16.399 -3.594 22.487 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 -23.017 -14.797 19.041 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 -22.077 -14.667 19.151 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 -23.267 -14.177 18.351 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 1.508 -11.434 -8.648 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 1.538 -12.194 -9.238 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 2.058 -10.774 -9.078 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 -22.143 -9.495 7.106 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 -22.543 -10.365 7.186 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 -22.883 -8.895 7.076 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 -14.812 -13.761 2.310 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 -14.912 -13.681 3.260 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 -13.882 -13.641 2.150 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 24.046 -1.717 -22.798 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 24.106 -2.527 -22.298 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 24.336 -1.037 -22.188 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 13.331 23.111 6.016 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 13.471 24.001 5.696 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 12.381 22.991 5.956 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 10.907 -18.393 -0.674 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 11.107 -19.323 -0.714 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 11.557 -18.023 -0.084 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 11.150 -18.769 -15.354 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 12.061 -19.029 -15.474 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 11.131 -18.349 -14.494 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 13.366 -20.701 -15.427 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 13.216 -21.041 -16.307 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 12.916 -21.321 -14.857 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 -21.987 -16.733 -16.651 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 -21.347 -17.433 -16.521 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 -22.117 -16.703 -17.601 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 17.319 -4.292 -16.691 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 16.939 -3.602 -17.241 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 18.009 -4.682 -17.221 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 16.883 5.332 -23.139 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 17.233 4.442 -23.109 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 15.943 5.232 -23.049 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 -22.703 15.732 8.716 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 -22.243 15.172 8.086 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 -22.053 15.892 9.406 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 -5.022 15.582 -20.367 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 -5.632 16.312 -20.357 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 -4.152 15.992 -20.307 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 -10.188 21.533 -6.039 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 -10.278 21.873 -6.929 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 -9.248 21.553 -5.869 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 -16.912 4.022 7.301 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 -17.332 3.282 6.861 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 -17.622 4.482 7.741 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 -13.292 -14.923 13.520 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 -12.832 -14.083 13.480 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 -12.792 -15.443 14.150 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 10.937 14.775 21.373 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 10.457 14.325 22.063 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 11.497 15.395 21.833 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 2.646 19.062 -17.988 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 2.236 19.382 -18.788 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 3.586 19.112 -18.148 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 13.207 5.186 -16.224 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 13.567 5.886 -16.764 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 13.967 4.716 -15.884 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 8.587 2.837 -2.631 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 8.027 2.497 -1.931 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 9.457 2.497 -2.431 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 -7.053 -6.035 1.923 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 -6.433 -6.705 1.653 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 -7.763 -6.515 2.353 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 23.234 3.337 8.613 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 23.264 2.387 8.623 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 22.404 3.547 8.173 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 8.091 24.203 -6.472 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 7.901 23.273 -6.462 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 7.270 24.603 -6.762 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 1.366 7.722 -11.774 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 1.286 6.792 -11.554 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 1.146 8.172 -10.954 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 -9.017 0.588 5.514 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 -9.117 0.498 4.564 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 -9.407 1.448 5.714 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 -10.917 9.596 -5.553 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 -11.207 9.816 -4.673 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 -11.147 10.356 -6.083 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 0.309 23.712 15.259 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 -0.351 23.082 15.559 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 0.089 24.522 15.719 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 13.515 0.096 2.623 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 14.005 -0.424 1.993 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 12.605 -0.164 2.483 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 24.703 -19.851 -0.465 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 24.743 -20.411 0.305 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 23.773 -19.861 -0.705 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 18.169 -18.268 7.729 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 17.709 -19.098 7.879 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 17.859 -17.698 8.429 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 23.418 19.656 10.376 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 24.258 19.346 10.036 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 23.648 20.116 11.186 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -8.227 -5.457 20.609 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -7.697 -5.117 21.319 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -9.067 -5.007 20.699 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 -7.902 -1.913 -2.948 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 -8.632 -2.413 -2.578 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 -8.062 -1.013 -2.678 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 24.394 -23.575 17.881 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 24.524 -23.625 16.941 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 23.484 -23.855 18.011 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 13.547 6.738 -18.591 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 13.607 5.988 -19.171 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 13.527 7.498 -19.181 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 15.679 18.712 10.556 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 16.299 19.343 10.186 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 15.009 18.603 9.886 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 6.668 -10.549 5.118 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 6.378 -9.759 5.588 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 5.858 -11.009 4.898 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 23.858 8.615 10.070 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 23.838 9.575 10.120 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 23.218 8.335 10.730 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 16.735 24.879 8.289 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 17.245 25.659 8.469 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 17.135 24.509 7.499 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 -6.002 -16.481 -3.636 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 -6.222 -15.961 -4.406 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 -6.842 -16.641 -3.206 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -0.138 -22.506 24.420 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 0.512 -23.136 24.110 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -0.308 -21.946 23.670 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 -9.021 4.133 -2.567 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 -8.221 4.663 -2.617 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 -8.841 3.383 -3.127 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 -21.586 -20.896 -13.226 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 -21.466 -21.646 -13.806 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 -20.706 -20.546 -13.086 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 7.663 -6.846 19.969 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 7.993 -6.746 19.069 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 8.423 -6.666 20.519 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 -23.593 -18.860 -2.189 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 -23.163 -19.680 -1.949 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 -24.363 -18.810 -1.619 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -11.761 -9.725 -12.522 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -11.591 -10.655 -12.362 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -11.661 -9.315 -11.672 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 10.273 16.692 -22.996 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 10.403 17.642 -23.006 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 10.203 16.452 -23.916 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 -11.941 -1.117 -20.030 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 -12.541 -0.877 -19.320 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 -11.771 -2.057 -19.890 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 -2.158 16.412 -11.595 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 -3.068 16.463 -11.305 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 -1.648 16.583 -10.805 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 6.344 -9.268 -20.067 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 6.714 -8.608 -20.647 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 6.704 -9.068 -19.207 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 0.986 3.161 -18.687 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 0.986 4.091 -18.487 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 1.756 3.031 -19.237 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 18.372 -16.442 15.959 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 18.862 -15.742 16.369 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 17.502 -16.402 16.369 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -17.161 -6.890 -5.559 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -17.571 -7.460 -6.209 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -16.531 -7.450 -5.099 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 16.311 -5.644 1.821 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 15.621 -5.114 2.221 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 15.901 -6.484 1.631 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 9.529 -11.138 -17.456 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 9.369 -11.608 -16.636 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 9.279 -10.238 -17.266 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 15.458 -10.630 -16.112 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 14.588 -10.780 -16.482 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 15.888 -10.060 -16.742 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 -17.735 -17.197 10.710 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 -17.765 -17.947 10.130 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 -16.805 -16.947 10.730 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 23.882 3.040 13.342 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 23.142 2.780 13.892 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 24.172 2.230 12.932 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 6.254 -23.967 -12.120 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 6.534 -24.787 -11.710 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 5.864 -23.458 -11.420 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -6.853 7.534 -6.629 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -7.083 6.914 -5.939 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -6.193 8.094 -6.229 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 -17.354 -19.741 13.526 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 -17.294 -20.451 12.886 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 -16.814 -20.021 14.256 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 19.771 22.527 4.684 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 20.551 22.137 5.054 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 20.081 22.977 3.894 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 3.769 -3.780 20.183 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 4.119 -3.460 21.013 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 4.499 -4.230 19.763 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 -14.952 14.502 14.967 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 -14.572 13.742 14.527 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 -15.232 14.172 15.817 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 10.366 -14.249 -18.222 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 10.066 -13.419 -17.842 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 10.016 -14.919 -17.622 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 8.512 -17.028 24.259 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 8.452 -16.428 25.009 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 9.292 -16.728 23.779 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 -9.493 -6.638 8.394 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 -9.303 -6.568 7.454 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 -9.363 -7.558 8.594 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 7.796 1.510 19.437 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 7.176 2.140 19.797 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 8.476 1.450 20.117 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -23.312 -13.151 -10.217 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -24.252 -13.031 -10.087 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -23.002 -13.531 -9.387 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 2.766 15.303 -23.304 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 1.806 15.343 -23.344 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 3.066 15.853 -24.024 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 4.131 -16.047 4.476 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 4.181 -15.577 3.636 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 3.221 -15.937 4.746 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -13.398 17.064 3.745 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -13.598 17.534 2.935 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -13.228 16.164 3.465 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 23.145 -3.464 11.290 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 23.545 -4.254 11.660 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 23.255 -3.554 10.350 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -14.369 21.290 -20.532 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -14.529 22.010 -21.142 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -15.239 20.890 -20.412 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -8.905 -21.337 -5.372 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -9.275 -22.067 -5.862 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -8.105 -21.687 -4.982 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 2.405 -17.642 -13.578 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 2.515 -18.342 -12.938 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 2.325 -16.842 -13.058 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 16.448 21.678 16.670 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 17.148 21.038 16.560 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 16.698 22.168 17.450 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 6.349 4.066 12.406 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 6.019 4.956 12.276 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 6.629 4.056 13.326 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 -15.516 -0.397 24.442 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 -16.106 0.313 24.192 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 -15.586 -1.017 23.712 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 3.114 19.614 -2.774 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 3.004 19.704 -1.834 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 3.014 18.674 -2.944 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -19.265 4.084 -14.469 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -19.005 4.934 -14.829 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -19.165 4.184 -13.519 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 -1.857 -17.550 17.223 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 -1.737 -17.450 18.173 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 -2.807 -17.500 17.103 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 20.405 -15.762 8.374 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 19.615 -15.222 8.384 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 20.295 -16.342 7.624 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 16.989 8.891 18.069 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 16.129 8.991 18.479 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 16.969 8.021 17.669 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -0.071 -15.798 -21.017 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -0.351 -15.238 -21.737 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 0.879 -15.768 -21.037 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 -11.624 -16.301 -5.208 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 -12.544 -16.091 -5.038 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 -11.524 -17.191 -4.848 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 -10.101 -14.133 3.875 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 -9.401 -14.573 3.395 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 -10.851 -14.723 3.795 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 1.336 17.097 20.552 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 0.586 17.657 20.332 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 0.946 16.257 20.812 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -10.578 -17.308 12.366 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -10.888 -16.718 11.676 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -9.728 -16.948 12.616 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 -20.281 -3.497 7.825 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 -20.441 -4.437 7.835 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 -20.181 -3.257 8.745 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 -13.485 4.652 -5.220 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 -13.005 5.442 -5.450 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 -14.365 4.962 -5.010 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 22.949 22.061 17.522 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 22.049 22.371 17.412 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 22.859 21.191 17.902 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 8.097 1.728 -19.630 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 8.927 2.158 -19.790 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 7.687 2.218 -18.920 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 -7.385 -19.972 -14.637 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 -7.465 -20.382 -15.497 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 -8.085 -19.312 -14.627 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 21.441 10.254 7.505 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 21.531 9.304 7.385 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 20.961 10.554 6.735 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 16.707 20.586 -3.570 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 15.887 20.516 -4.060 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 16.767 21.506 -3.330 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 19.107 -18.357 -24.784 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 18.887 -17.577 -25.284 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 18.257 -18.707 -24.494 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 8.193 -5.263 17.420 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 8.983 -4.923 17.000 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 7.773 -4.483 17.800 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 -7.425 2.746 9.830 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 -7.295 3.676 9.620 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 -7.295 2.696 10.780 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 13.463 16.202 11.130 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 13.483 17.092 10.800 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 13.133 15.682 10.400 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 -13.568 -23.863 -24.736 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 -13.508 -24.653 -25.276 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 -14.168 -24.093 -24.026 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 9.335 -19.181 15.100 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 8.745 -18.421 15.110 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 9.485 -19.371 16.030 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 0.547 20.608 -24.119 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 0.657 20.988 -24.989 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 -0.203 21.058 -23.739 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 -15.141 -20.707 4.265 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 -14.221 -20.677 4.505 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 -15.221 -20.057 3.565 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 20.816 7.654 21.094 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 21.756 7.484 21.014 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 20.406 6.924 20.624 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 2.369 -20.267 -14.381 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 1.979 -21.047 -13.991 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 3.139 -20.097 -13.841 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 9.794 -15.065 15.909 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 9.484 -15.855 15.459 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 9.494 -15.165 16.809 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 5.041 18.984 -23.961 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 4.781 19.614 -23.301 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 5.491 19.504 -24.631 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 13.622 -21.700 15.255 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 12.812 -21.820 14.755 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 14.202 -21.210 14.675 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 18.552 2.114 24.439 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 18.082 1.664 23.749 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 18.252 3.024 24.379 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -18.254 14.857 12.621 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -18.444 14.057 13.111 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -17.294 14.847 12.521 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 -16.114 -16.095 0.901 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 -16.404 -15.785 0.041 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 -15.654 -15.355 1.281 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 11.435 -10.444 -3.750 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 11.795 -11.214 -4.200 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 11.635 -9.724 -4.340 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 18.533 -6.588 -15.593 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 18.123 -7.028 -14.843 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 17.803 -6.178 -16.053 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 6.527 -5.201 -23.076 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 5.977 -5.951 -22.836 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 6.827 -4.851 -22.236 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 -0.795 -2.535 22.488 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 -1.025 -3.445 22.668 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 0.015 -2.385 22.968 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 -6.336 -18.752 15.949 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 -6.606 -17.932 15.539 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 -6.956 -19.402 15.619 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 23.939 -19.248 3.667 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 23.059 -19.278 3.307 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 23.809 -19.218 4.617 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 -23.952 13.940 10.746 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 -24.682 14.560 10.836 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 -24.222 13.350 10.036 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 13.829 10.586 8.046 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 14.729 10.746 8.316 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 13.839 10.676 7.096 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 11.932 16.847 23.607 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 11.412 16.057 23.757 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 11.302 17.497 23.297 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 20.182 0.587 13.356 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 19.572 1.317 13.206 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 21.002 1.017 13.616 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -19.606 16.981 14.077 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -19.536 16.031 14.167 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -19.066 17.201 13.317 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 -23.769 2.082 3.406 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 -23.349 2.922 3.246 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 -24.709 2.272 3.416 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 0.905 -3.993 -24.162 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 -0.035 -3.833 -24.022 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 0.975 -4.133 -25.102 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 1.968 -16.846 18.510 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 2.358 -16.886 19.380 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 1.028 -16.946 18.660 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 11.714 24.396 12.927 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 11.604 24.376 13.877 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 12.614 24.126 12.777 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 7.814 14.169 -25.170 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 7.254 13.569 -25.660 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 7.914 13.739 -24.320 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -15.726 10.174 24.710 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -15.176 10.854 25.100 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -15.556 9.394 25.240 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 21.125 15.576 10.397 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 21.345 14.726 10.767 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 20.185 15.666 10.557 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 17.636 9.853 24.934 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 17.906 10.703 24.584 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 18.156 9.223 24.434 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 12.264 17.838 -4.018 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 12.354 18.758 -4.258 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 13.164 17.518 -3.948 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 23.163 -23.753 -4.193 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 23.203 -23.513 -5.123 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 23.883 -24.373 -4.083 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 9.144 -19.155 -19.392 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 8.584 -18.875 -20.122 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 8.604 -19.015 -18.612 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 24.871 -16.095 17.970 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 25.451 -15.895 18.700 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 24.581 -16.985 18.140 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 15.517 -7.602 13.448 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 15.307 -8.332 14.028 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 16.467 -7.502 13.528 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 -1.581 20.772 -8.034 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 -1.231 21.652 -8.174 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 -2.501 20.832 -8.294 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 -5.029 8.321 -24.389 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 -5.330 8.411 -25.299 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 -4.199 8.781 -24.369 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 2.621 24.843 -1.246 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 1.811 25.353 -1.356 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 3.131 25.343 -0.606 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 -17.965 14.650 -10.431 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 -18.895 14.800 -10.291 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 -17.825 14.860 -11.351 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 -18.333 -17.654 -22.254 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 -18.853 -17.284 -22.964 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 -17.533 -17.134 -22.234 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 -1.153 -8.901 -10.307 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 -1.793 -9.471 -9.887 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 -1.163 -9.171 -11.227 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 18.969 -7.540 -20.061 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 18.809 -8.450 -20.301 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 19.479 -7.180 -20.791 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -23.913 -22.427 19.122 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -24.043 -21.967 19.952 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -24.613 -23.087 19.112 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 -20.229 -23.634 10.353 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 -21.049 -24.124 10.243 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 -19.909 -23.894 11.223 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 -21.634 -14.481 24.409 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 -22.104 -15.281 24.659 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 -21.054 -14.761 23.699 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 6.031 -20.945 -8.304 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 5.881 -21.635 -8.954 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 5.621 -20.175 -8.684 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 12.644 -24.498 -6.943 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 13.104 -23.988 -7.603 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 12.124 -23.868 -6.463 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 -24.377 1.502 20.947 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 -24.457 2.382 20.567 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 -25.007 1.492 21.677 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 -12.187 -15.145 16.559 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 -12.357 -14.525 17.269 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 -11.617 -14.675 15.959 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 22.706 18.135 -24.368 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 22.576 18.545 -23.518 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 22.136 17.365 -24.368 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 7.704 -14.002 14.143 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 8.384 -14.652 13.993 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 7.204 -13.962 13.333 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 -4.078 11.065 -17.082 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 -4.748 11.595 -17.522 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 -4.398 10.955 -16.192 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 -12.623 24.634 -4.071 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 -12.833 25.174 -3.301 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 -11.993 23.994 -3.751 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 -4.823 22.328 8.519 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 -4.313 22.198 9.319 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 -4.193 22.658 7.879 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 -3.316 -11.944 2.219 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 -2.586 -11.784 1.619 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 -4.026 -12.244 1.649 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 14.453 10.048 5.069 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 14.273 9.108 5.179 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 15.193 10.078 4.459 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 -5.855 -8.345 -24.211 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 -6.125 -8.935 -23.511 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 -6.435 -7.585 -24.111 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 8.122 -15.258 18.403 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 9.052 -15.198 18.643 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 7.802 -14.358 18.443 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 -9.586 -14.527 -8.371 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 -9.416 -14.778 -9.281 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 -8.796 -14.057 -8.101 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 -22.518 -9.452 -14.010 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 -22.498 -10.322 -14.420 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 -21.668 -9.072 -14.190 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 -1.539 -13.957 24.418 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 -1.189 -13.307 25.028 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 -2.489 -13.877 24.498 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 22.714 -19.867 11.091 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 22.624 -19.957 10.141 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 22.454 -18.967 11.271 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -0.251 -11.046 15.123 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -1.031 -10.726 14.673 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 0.329 -11.356 14.423 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 3.758 9.456 14.824 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 3.648 10.326 15.214 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 2.868 9.096 14.774 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 14.253 21.137 -5.196 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 13.943 21.277 -6.096 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 14.543 22.007 -4.916 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -21.498 7.101 10.287 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -21.808 7.911 10.697 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -21.238 7.371 9.407 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 -3.499 -22.419 -7.164 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 -2.929 -23.189 -7.134 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 -4.329 -22.749 -7.494 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 2.259 9.331 -25.127 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 3.169 9.611 -25.027 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 2.299 8.371 -25.127 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 3.531 22.502 -3.733 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 3.501 21.552 -3.763 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 3.941 22.752 -4.563 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 -9.573 18.607 -6.984 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 -9.723 19.397 -6.454 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 -8.993 18.067 -6.444 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 11.096 -7.551 21.753 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 10.186 -7.811 21.853 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 11.526 -7.861 22.543 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 23.663 -23.065 0.878 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 23.473 -23.995 0.738 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 22.813 -22.645 0.898 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 18.006 13.313 24.978 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 18.306 14.223 24.978 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 18.526 12.883 25.648 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 19.046 -11.774 6.629 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 18.456 -12.074 5.939 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 18.486 -11.604 7.379 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 19.421 -11.784 14.507 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 20.331 -11.994 14.297 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 19.001 -11.664 13.657 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 10.213 -22.880 -16.764 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 9.763 -22.140 -16.354 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 10.053 -23.610 -16.174 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 15.180 -8.306 -4.178 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 14.411 -8.796 -4.458 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 15.911 -8.716 -4.638 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 18.391 5.191 -8.281 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 18.221 4.341 -8.691 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 18.001 5.121 -7.411 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 24.346 7.412 -1.929 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 24.756 6.602 -1.629 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 23.476 7.142 -2.239 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 9.621 4.716 -0.022 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 10.551 4.506 -0.102 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 9.561 5.636 -0.302 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 18.512 16.350 1.255 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 18.562 17.280 1.035 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 17.692 16.050 0.865 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 9.107 -0.549 -18.535 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 9.197 0.331 -18.895 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 9.437 -0.479 -17.635 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 -10.053 22.253 20.316 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 -9.153 21.953 20.296 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 -10.423 21.963 19.476 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 -6.823 -7.939 9.655 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 -6.793 -7.209 9.025 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 -5.903 -8.129 9.835 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 20.833 -18.772 -2.858 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 21.493 -19.282 -3.328 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 21.333 -18.072 -2.438 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 -1.276 -7.346 -21.349 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 -2.066 -7.386 -21.889 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 -1.596 -7.126 -20.469 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 22.774 -13.445 -5.386 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 21.964 -13.945 -5.456 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 22.684 -12.735 -6.016 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 2.208 16.256 -17.496 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 1.588 16.306 -18.226 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 2.778 17.016 -17.626 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 -7.134 -23.662 -3.301 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 -6.874 -24.572 -3.381 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 -6.494 -23.172 -3.801 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -15.848 -24.229 -14.597 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -15.828 -23.889 -13.707 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -15.028 -23.909 -14.987 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -12.268 21.157 0.053 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -11.588 21.607 0.553 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -11.898 21.077 -0.827 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 -13.281 -18.488 -16.970 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 -13.831 -17.708 -16.870 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 -13.901 -19.218 -16.870 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 -7.859 15.613 14.103 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 -8.019 14.903 13.483 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 -8.679 15.683 14.593 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 -4.152 -20.588 21.247 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 -4.252 -21.538 21.187 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 -5.032 -20.248 21.077 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -18.453 -11.417 -12.342 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -19.383 -11.637 -12.252 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -18.413 -10.477 -12.192 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 20.196 -17.477 -18.528 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 20.556 -16.797 -17.958 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 19.546 -17.927 -17.978 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 23.492 1.757 4.846 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 23.632 0.927 4.386 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 23.392 2.407 4.156 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 -7.346 8.181 7.346 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 -7.436 7.421 6.776 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 -6.516 8.051 7.806 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -22.753 11.641 2.730 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -22.303 10.881 2.360 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -22.083 12.331 2.760 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 -4.509 -17.684 -1.734 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 -5.189 -17.274 -2.274 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 -3.839 -17.014 -1.654 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 11.517 -2.258 -10.024 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 12.207 -1.718 -10.414 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 10.977 -2.538 -10.764 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -9.474 11.626 23.336 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -8.634 12.036 23.136 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -9.254 10.926 23.956 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 -14.226 -10.394 -2.524 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 -14.156 -10.064 -1.634 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 -14.796 -11.154 -2.454 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 -9.301 6.951 11.838 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 -8.771 7.541 11.308 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 -8.681 6.281 12.158 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 3.683 -8.783 -4.115 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 2.753 -8.803 -3.915 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 4.083 -8.363 -3.355 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 10.557 -5.888 -9.881 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 10.997 -5.038 -9.781 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 11.037 -6.478 -9.301 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 -13.756 16.581 8.510 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 -14.146 17.121 7.830 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 -13.126 16.021 8.040 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 -5.707 1.962 15.387 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 -5.807 1.642 16.287 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 -4.897 1.542 15.087 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 20.687 -7.028 -4.288 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 20.297 -7.398 -3.488 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 19.937 -6.858 -4.858 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 -14.472 6.381 5.427 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 -14.032 5.541 5.567 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 -15.402 6.181 5.507 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 -6.088 -23.624 17.301 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 -5.838 -23.994 16.451 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 -6.248 -22.694 17.121 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 16.688 6.988 -16.320 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 17.618 7.128 -16.150 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 16.468 7.638 -16.990 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 -19.866 -16.012 -5.255 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 -19.696 -16.492 -6.065 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 -20.706 -16.342 -4.945 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 -18.341 -9.075 -7.031 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 -18.031 -9.295 -7.911 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 -18.021 -9.775 -6.471 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 16.397 -5.415 -7.362 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 15.957 -4.715 -6.872 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 15.917 -5.465 -8.192 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 -17.978 -3.427 -7.955 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 -17.908 -3.718 -8.865 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 -17.428 -2.647 -7.895 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 -1.975 18.329 -19.994 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 -1.525 17.559 -19.654 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 -2.145 18.869 -19.214 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 19.693 5.141 0.427 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 20.253 4.391 0.247 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 18.803 4.801 0.327 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 -24.517 3.810 9.118 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 -24.877 4.560 9.598 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 -25.277 3.410 8.698 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -20.616 -16.757 9.960 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -19.716 -16.427 9.880 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -20.836 -16.627 10.880 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 24.152 22.541 23.407 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 24.922 22.011 23.207 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 24.122 23.201 22.717 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 -22.099 25.462 -0.720 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 -21.919 24.552 -0.980 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 -22.489 25.382 0.150 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 13.538 2.647 -6.373 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 13.238 3.477 -6.003 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 14.198 2.327 -5.753 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 -3.009 -20.748 -20.510 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 -2.429 -20.428 -19.820 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 -3.039 -20.048 -21.160 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 7.954 18.055 -20.946 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 7.734 17.835 -20.046 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 8.904 17.995 -20.986 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 -3.328 12.009 24.598 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 -3.928 11.459 24.098 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 -3.858 12.779 24.838 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 -22.454 4.142 -19.859 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 -22.494 5.102 -19.759 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 -21.924 3.852 -19.119 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 -3.261 23.201 13.199 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 -2.971 23.491 14.059 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 -3.091 23.941 12.619 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 -11.260 21.945 -22.836 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 -10.939 21.625 -21.996 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 -10.600 22.575 -23.126 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 -9.731 -10.161 -6.485 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 -10.051 -9.731 -7.275 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 -9.701 -9.461 -5.835 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 -17.538 13.215 -7.854 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 -17.788 13.605 -8.694 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 -17.208 12.345 -8.084 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 11.035 -12.316 5.383 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 10.445 -11.906 4.753 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 10.515 -12.396 6.183 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 17.291 21.157 2.421 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 17.311 20.987 3.361 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 17.521 20.327 2.021 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 3.669 -7.290 19.246 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 3.469 -7.590 20.136 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 3.389 -8.020 18.686 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 19.133 -7.048 25.477 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 19.483 -7.838 25.077 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 18.273 -6.938 25.077 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 -10.524 -11.398 -10.632 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 -10.794 -12.298 -10.802 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 -9.564 -11.428 -10.602 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 21.999 -12.469 -2.600 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 22.039 -11.859 -1.860 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 21.949 -11.899 -3.370 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 -19.957 -20.292 17.502 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 -19.247 -20.622 18.042 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 -20.487 -21.062 17.292 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 -9.448 5.833 -4.717 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 -9.448 5.623 -5.647 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 -9.698 5.023 -4.277 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 13.867 2.751 2.306 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 13.877 1.801 2.406 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 14.267 3.091 3.106 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 10.933 5.397 -17.707 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 11.163 5.857 -18.507 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 11.743 5.407 -17.187 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 -14.638 -3.930 -15.170 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 -14.098 -4.610 -15.560 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 -15.398 -3.860 -15.750 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 14.770 -24.733 -25.458 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 13.811 -24.673 -25.458 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 15.001 -24.903 -24.548 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 12.064 -3.691 0.793 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 12.044 -2.731 0.743 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 12.654 -3.951 0.083 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 12.058 -16.181 -2.853 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 11.588 -15.441 -2.473 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 11.398 -16.861 -2.963 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 -5.112 -14.415 -16.826 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 -5.192 -14.075 -17.716 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 -4.382 -13.925 -16.446 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 17.103 23.343 -12.860 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 17.923 23.753 -12.590 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 16.423 23.993 -12.650 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 5.064 -24.905 -14.246 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 5.704 -24.865 -14.956 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 5.534 -24.565 -13.486 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 21.417 -7.521 23.444 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 21.607 -7.521 22.504 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 21.707 -6.661 23.754 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 -23.128 5.899 -3.752 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 -22.228 6.239 -3.752 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 -23.378 5.879 -4.672 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 -13.796 7.166 -15.044 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 -13.286 7.906 -14.724 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 -13.506 7.046 -15.954 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 17.366 0.761 -3.560 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 18.186 0.761 -4.060 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 17.636 0.851 -2.650 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 1.293 -15.387 -15.343 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 1.733 -15.097 -16.143 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 1.613 -16.277 -15.193 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 -0.075 11.083 20.918 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 -1.005 11.203 20.708 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 0.275 10.563 20.198 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 -10.626 12.614 6.691 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 -10.916 12.204 7.511 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 -10.136 11.924 6.241 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 -8.211 -18.548 -21.739 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 -7.361 -18.448 -21.309 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 -8.121 -19.368 -22.239 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 0.269 20.135 22.353 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 -0.021 21.025 22.143 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 -0.171 19.585 21.703 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 22.008 -15.075 -13.737 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 22.228 -15.945 -13.397 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 22.078 -15.155 -14.687 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 -5.342 5.898 16.951 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 -4.812 6.198 16.211 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 -6.022 6.568 17.051 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 -3.781 -15.174 19.024 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 -3.271 -15.174 19.834 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 -4.581 -15.644 19.254 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 -10.418 -23.261 -6.216 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 -10.338 -24.141 -5.846 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 -11.018 -22.801 -5.636 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 3.626 -5.344 -8.064 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 3.496 -6.174 -7.594 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 4.576 -5.194 -8.024 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 6.338 4.123 25.054 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 7.238 4.433 25.154 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 5.828 4.923 24.944 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 -24.556 -13.633 -23.696 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 -24.986 -14.343 -24.176 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 -23.996 -14.073 -23.066 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 -15.689 -18.499 2.900 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -15.289 -17.939 2.230 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 -16.099 -17.889 3.510 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 -20.741 -14.225 -17.890 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 -21.241 -14.695 -18.560 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 -20.041 -13.795 -18.380 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 -7.334 -11.490 -5.607 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 -7.954 -11.050 -6.187 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 -7.074 -10.820 -4.967 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 14.568 -12.842 -10.824 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 15.108 -13.582 -10.544 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 13.858 -12.812 -10.184 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 23.747 24.203 1.581 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 24.077 23.313 1.461 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 23.847 24.373 2.521 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 13.297 -11.245 22.039 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 12.347 -11.125 22.059 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 13.607 -10.655 21.349 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 -25.255 15.291 0.779 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 -24.505 14.851 1.169 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 -25.385 16.071 1.309 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 -21.075 -15.435 14.857 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 -20.345 -14.845 15.087 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 -20.705 -16.315 14.937 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 -24.358 -14.464 6.140 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 -24.958 -13.734 5.970 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 -24.928 -15.224 6.190 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 23.185 18.922 15.007 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 22.355 18.492 15.207 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 23.575 18.362 14.327 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 -23.473 0.342 17.702 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 -24.063 0.792 17.102 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 -23.293 -0.498 17.282 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 18.726 -16.655 13.236 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 19.556 -16.295 13.546 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 18.246 -16.875 14.026 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 -11.195 -4.836 9.890 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 -10.415 -5.186 9.470 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 -11.215 -3.916 9.640 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 -3.184 -25.227 -4.550 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 -3.904 -25.257 -3.930 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 -3.374 -24.467 -5.110 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 3.270 20.161 15.693 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 3.691 19.901 14.873 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 3.991 20.311 16.303 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 -19.576 23.467 -11.608 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 -19.056 23.427 -10.808 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 -20.086 22.657 -11.608 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 -19.987 3.992 -2.155 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 -20.287 3.092 -2.285 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 -20.127 4.152 -1.215 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.639 -16.239 21.176 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.789 -15.719 20.386 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 7.229 -15.859 21.836 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -21.259 -16.625 0.411 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -20.439 -16.525 0.871 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -21.429 -17.565 0.421 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -17.945 -10.821 -4.868 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -18.095 -11.661 -4.428 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -17.075 -10.901 -5.258 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -8.511 -23.909 4.816 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -8.421 -23.739 5.746 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -7.611 -23.839 4.476 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -10.378 -9.204 -8.808 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -10.498 -8.384 -9.298 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -10.388 -9.884 -9.478 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 -19.426 7.981 -21.162 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 -19.566 7.731 -20.252 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 -18.526 8.291 -21.192 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -22.564 -11.736 20.228 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -22.324 -10.856 19.958 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -21.824 -12.286 19.958 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 -22.173 -19.178 0.448 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 -22.103 -20.088 0.738 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 -23.063 -18.918 0.698 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 -15.054 3.352 -13.621 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 -14.584 2.522 -13.711 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 -15.954 3.152 -13.871 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 -5.613 25.110 -13.646 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 -5.183 25.750 -13.086 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 -5.173 24.290 -13.456 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 7.286 15.437 -21.435 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 7.586 16.267 -21.815 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 6.526 15.687 -20.905 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 20.522 17.792 5.310 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 21.262 17.252 5.570 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 19.852 17.172 5.020 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 -0.991 -20.334 -5.964 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 -0.121 -19.944 -6.034 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 -1.191 -20.634 -6.844 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -16.087 15.336 2.035 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -15.147 15.496 1.955 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 -16.487 15.976 1.445 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 20.679 6.778 -9.219 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 19.779 6.768 -8.899 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 21.189 6.398 -8.499 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 -17.621 -16.387 4.761 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 -17.141 -15.997 5.491 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 -17.871 -15.637 4.211 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 19.719 -22.718 12.002 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 20.169 -22.528 11.182 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 20.409 -22.658 12.672 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -22.862 -1.575 10.924 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -22.242 -0.865 10.734 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -23.622 -1.385 10.374 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 15.036 -19.433 13.372 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 15.686 -19.503 12.682 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 15.256 -18.633 13.842 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 3.317 -18.083 -0.904 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 2.477 -18.333 -0.534 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 3.497 -18.733 -1.574 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 11.106 12.100 20.554 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 10.846 12.990 20.304 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 11.426 12.190 21.454 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 -24.677 -16.248 20.434 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 -25.097 -15.818 21.174 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 -23.847 -15.778 20.314 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 15.633 -16.558 -18.317 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 15.703 -17.218 -17.627 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 15.453 -17.058 -19.107 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 -16.051 5.747 -10.509 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 -15.461 5.037 -10.769 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 -15.831 6.467 -11.089 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 3.545 8.890 -19.844 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 3.305 8.520 -18.994 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 4.325 9.420 -19.654 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 16.175 16.522 -20.253 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 16.995 16.632 -19.763 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 16.295 17.062 -21.043 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 -17.891 4.923 11.559 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 -18.291 5.733 11.859 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 -16.981 5.153 11.389 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -3.733 -16.158 21.611 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -4.113 -17.018 21.461 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -4.383 -15.698 22.141 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -10.679 17.126 -24.434 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -11.139 17.006 -25.264 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -10.449 18.056 -24.414 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 -13.861 18.369 1.476 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 -14.801 18.529 1.446 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 -13.481 19.209 1.766 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -16.534 -22.589 -23.484 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -16.704 -23.459 -23.114 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 -16.934 -22.629 -24.364 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 19.807 -15.177 18.239 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 20.677 -15.577 18.129 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 19.977 -14.237 18.259 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 24.933 -7.970 16.812 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 25.143 -8.900 16.922 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 25.693 -7.610 16.352 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 14.495 7.297 22.947 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 13.665 7.777 22.867 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 14.995 7.557 22.167 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -20.294 -10.859 16.493 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -19.724 -10.189 16.873 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -21.174 -10.489 16.543 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -12.866 -3.721 4.443 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -13.186 -3.911 3.563 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -13.336 -4.341 5.013 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 12.688 -21.505 25.079 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 12.588 -20.625 24.719 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 12.018 -22.025 24.639 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 7.885 10.278 -23.070 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 7.215 10.188 -22.390 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 8.445 10.988 -22.760 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -5.575 22.626 21.326 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -5.355 22.056 20.596 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -5.045 22.316 22.056 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 10.786 -22.953 7.780 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 10.766 -22.003 7.890 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 11.066 -23.293 8.630 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 -14.461 10.014 19.761 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 -15.021 10.484 19.141 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 -15.031 9.844 20.511 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -7.812 8.463 -3.877 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -8.162 9.253 -3.467 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -8.492 8.173 -4.487 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 -19.674 -9.117 11.671 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 -18.824 -9.157 12.121 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 -20.274 -8.777 12.341 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 1.284 -11.472 -24.161 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 1.094 -11.542 -25.101 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 1.504 -10.552 -24.021 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 16.589 -17.841 18.045 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 17.009 -18.681 17.845 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 15.659 -18.031 18.055 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 9.742 0.313 -21.585 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 8.922 -0.027 -21.955 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 9.592 0.323 -20.645 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 18.240 -5.511 -0.344 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 17.860 -5.231 -1.174 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 17.521 -5.911 0.136 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 -7.323 -4.769 -1.538 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 -7.903 -5.149 -0.878 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 -7.723 -3.929 -1.768 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 -22.063 3.011 17.569 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 -22.403 3.831 17.939 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 -22.813 2.421 17.569 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 -4.227 3.836 -21.985 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 -4.857 4.386 -22.455 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 -3.637 4.446 -21.555 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 18.101 17.828 -4.571 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 17.901 18.698 -4.221 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 18.641 17.998 -5.341 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 -0.874 2.359 21.392 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 -0.724 2.919 22.152 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 -0.074 2.469 20.862 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 -5.191 -20.864 16.853 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 -4.661 -21.004 17.633 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 -5.191 -19.914 16.733 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 0.728 23.818 7.954 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 1.368 23.448 7.344 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 0.528 24.688 7.594 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 4.762 6.164 -4.675 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 4.312 6.904 -4.265 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 5.402 5.884 -4.025 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 -22.731 -6.965 0.284 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 -22.301 -6.705 -0.526 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 -22.241 -7.735 0.584 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 -23.806 16.232 23.573 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 -24.096 15.322 23.633 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 -24.616 16.732 23.453 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 4.977 -8.513 -0.401 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 5.487 -7.733 -0.201 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 4.677 -8.833 0.459 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -14.457 22.465 -6.880 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -13.637 21.975 -6.860 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -14.307 23.215 -6.300 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -16.919 5.373 -23.311 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -16.799 5.923 -22.541 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -17.859 5.443 -23.501 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 2.883 -1.060 -19.415 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 2.363 -1.640 -18.865 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 3.683 -1.540 -19.585 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 19.794 18.902 -13.962 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 20.574 18.382 -13.782 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 19.064 18.372 -13.642 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 13.953 22.351 11.323 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 14.363 21.541 11.623 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 14.643 22.801 10.833 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -17.477 -6.791 -11.411 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -17.167 -6.411 -12.241 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -18.067 -6.121 -11.061 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 -9.621 5.984 6.517 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 -10.411 6.484 6.727 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 -9.481 5.424 7.267 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 -13.594 8.492 -7.718 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 -13.054 7.722 -7.538 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 -13.754 8.462 -8.658 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 22.095 -6.398 19.730 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 22.935 -6.528 20.170 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 21.735 -5.608 20.120 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 23.776 -15.840 5.836 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 23.486 -16.460 5.166 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 23.306 -15.030 5.636 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 6.507 -13.832 0.609 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 6.537 -13.522 -0.301 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 7.377 -14.212 0.749 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 17.045 8.367 2.510 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 17.525 7.557 2.330 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 17.505 9.037 1.990 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 -12.432 -22.595 -20.831 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 -12.462 -23.545 -20.881 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 -12.832 -22.375 -19.981 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 0.393 -20.677 -1.284 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 0.213 -19.857 -0.814 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 1.053 -21.117 -0.754 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 -14.543 4.311 -1.212 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 -14.363 4.111 -0.292 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 -15.013 3.541 -1.532 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 -9.045 -21.382 -24.597 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 -9.375 -20.912 -23.827 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 -9.395 -22.272 -24.507 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 -16.108 -8.619 10.999 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 -15.788 -7.869 10.489 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 -16.578 -9.149 10.369 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 24.778 -2.304 -11.896 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 25.118 -2.854 -12.606 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 23.878 -2.114 -12.156 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 23.782 -5.866 7.329 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 23.392 -6.696 7.599 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 23.372 -5.216 7.909 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 -0.166 -19.916 17.719 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 0.524 -20.246 18.299 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 -0.476 -20.686 17.239 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 -17.425 -1.306 16.796 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 -17.335 -0.736 17.556 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 -16.875 -0.906 16.126 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -2.880 0.312 -13.224 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -3.110 1.232 -13.084 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -3.149 0.132 -14.124 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -19.142 4.597 8.773 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -18.612 4.067 9.383 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -19.692 5.127 9.343 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 -17.655 -17.360 20.661 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 -17.845 -17.490 21.591 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 -17.985 -18.150 20.231 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 21.274 0.871 24.218 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 21.594 0.091 23.768 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 20.344 0.691 24.378 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 -24.325 -6.027 -6.494 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 -24.905 -6.797 -6.484 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 -23.445 -6.397 -6.554 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -3.399 22.925 2.889 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -4.179 22.445 2.599 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -2.869 23.025 2.099 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 1.827 -22.148 18.736 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 2.237 -22.988 18.956 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 2.437 -21.718 18.146 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 -2.657 9.748 -24.731 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 -2.847 10.498 -25.291 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 -1.707 9.798 -24.571 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 -7.754 24.332 12.455 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 -8.284 25.102 12.645 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 -8.024 23.692 13.115 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -23.763 -16.313 -5.986 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -24.613 -16.533 -6.376 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -23.333 -17.153 -5.846 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 -10.256 0.227 -3.186 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 -10.896 0.887 -3.446 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 -10.566 -0.583 -3.606 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 13.991 -17.750 -1.736 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 14.071 -18.660 -2.046 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 13.371 -17.350 -2.336 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 15.596 6.038 -0.180 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 15.796 5.248 0.320 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 15.856 6.758 0.390 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 14.074 -19.912 10.687 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 13.774 -19.802 11.597 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 13.944 -20.842 10.507 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 -20.604 -14.286 5.974 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 -19.944 -13.706 6.334 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 -20.474 -15.116 6.434 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 -20.452 -18.152 3.619 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 -21.402 -18.092 3.659 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 -20.202 -17.592 2.879 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 1.458 9.131 -9.377 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 1.468 8.681 -8.527 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 0.908 9.901 -9.227 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 -16.762 15.000 25.345 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 -16.512 15.240 24.455 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 -15.942 14.750 25.765 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 -2.033 -8.220 17.976 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 -2.683 -7.550 18.176 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 -1.233 -7.720 17.766 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 12.941 5.671 0.041 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 13.701 6.021 -0.429 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 13.140 4.731 0.151 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 -19.012 9.083 15.163 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 -19.082 8.203 15.533 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 -19.212 9.673 15.883 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 -11.715 -23.038 -17.688 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 -10.955 -23.608 -17.748 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 -11.425 -22.298 -17.158 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 -15.771 -11.244 1.219 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 -15.401 -12.124 1.189 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 -16.171 -11.124 0.359 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -12.708 16.916 -18.442 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -12.218 17.256 -19.192 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -13.618 17.166 -18.612 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 2.003 -22.542 22.569 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 2.313 -23.252 22.009 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 2.203 -21.742 22.079 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 13.009 -17.259 1.701 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 13.189 -17.689 0.871 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 13.849 -16.909 1.991 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 10.322 -18.739 9.690 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 10.742 -18.189 10.360 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 9.432 -18.389 9.620 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 24.159 -22.348 12.154 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 24.159 -21.508 11.704 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 23.239 -22.578 12.244 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 -1.761 16.983 6.066 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 -1.971 17.683 6.686 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 -0.961 16.593 6.406 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -11.276 20.696 -14.805 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -11.286 19.746 -14.905 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -12.176 20.966 -14.975 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 -23.889 13.530 6.382 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 -23.819 12.920 7.122 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 -24.809 13.470 6.112 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 -13.917 9.112 -10.197 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 -14.847 9.342 -10.137 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 -13.457 9.942 -10.057 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 17.688 16.334 8.049 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 18.378 16.484 8.699 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 18.108 15.804 7.369 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -16.572 -1.148 5.756 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -17.282 -0.598 6.096 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -16.372 -1.747 6.476 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 6.283 -17.515 9.113 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 6.463 -16.725 9.623 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 6.643 -17.335 8.243 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -0.426 -13.222 -4.704 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -0.166 -12.582 -4.034 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 0.384 -13.422 -5.164 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -8.771 -7.177 -18.397 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -9.101 -6.817 -19.217 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -7.841 -7.317 -18.547 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -1.873 -1.849 -21.676 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -1.183 -2.509 -21.606 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -1.423 -1.019 -21.496 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -6.236 -22.734 12.469 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -6.616 -23.614 12.449 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -5.566 -22.754 11.789 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 18.752 -21.009 -16.179 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 19.672 -20.749 -16.249 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 18.762 -21.759 -15.589 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 -17.500 5.311 15.109 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 -17.629 5.541 16.029 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 -16.859 5.951 14.789 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 -0.826 16.963 -9.078 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 -0.006 16.503 -8.908 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 -0.636 17.883 -8.898 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 -21.358 -6.204 -21.904 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 -21.958 -6.404 -22.624 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 -21.148 -5.274 -22.014 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 -17.902 21.865 2.933 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 -17.472 21.815 2.073 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 -18.452 22.645 2.883 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 23.789 22.561 -24.176 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 23.499 23.441 -23.936 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 23.689 22.531 -25.126 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 15.909 -1.527 19.629 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 16.669 -1.357 20.179 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 16.259 -1.987 18.859 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 -14.404 0.313 -23.107 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 -15.134 -0.077 -22.617 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 -14.504 -0.027 -23.997 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 22.142 -22.191 -18.453 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 22.212 -23.061 -18.053 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 22.722 -21.641 -17.943 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 -3.842 -14.091 -22.994 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 -4.752 -14.371 -22.944 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 -3.342 -14.881 -23.194 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 6.474 -22.333 -4.200 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 6.444 -21.713 -4.930 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 6.634 -21.783 -3.430 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 -7.962 -15.800 7.576 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 -8.592 -15.200 7.986 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 -7.442 -16.130 8.306 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 -6.207 -16.217 19.776 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 -7.117 -16.337 19.496 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 -6.277 -15.937 20.686 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 15.537 4.520 23.999 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 16.447 4.280 23.859 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 15.447 5.370 23.569 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 15.056 16.560 -4.720 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 14.456 15.820 -4.800 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 15.876 16.180 -4.410 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 2.863 -12.796 -16.561 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 1.943 -12.696 -16.791 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 3.063 -12.026 -16.031 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -19.415 -11.242 -2.041 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -19.615 -12.162 -1.881 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -20.135 -10.762 -1.631 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 21.452 0.007 -21.604 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 21.102 -0.043 -22.494 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 21.082 -0.753 -21.154 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 -20.201 20.437 -20.525 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 -20.591 21.117 -21.065 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 -20.631 20.517 -19.675 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 -2.685 11.281 20.118 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 -2.715 12.171 19.768 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 -3.405 11.241 20.748 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 -16.015 -23.543 8.442 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 -16.465 -23.333 7.622 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 -15.085 -23.463 8.232 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 -4.815 -12.219 -13.331 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 -5.195 -12.849 -12.711 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 -4.405 -11.549 -12.771 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 -21.525 -11.486 0.186 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 -21.705 -11.876 -0.664 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 -22.365 -11.126 0.476 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 -9.482 -20.061 -10.761 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 -10.052 -20.351 -11.481 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 -9.752 -20.601 -10.021 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 -14.421 17.161 -22.291 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 -14.411 17.661 -23.111 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 -13.651 17.481 -21.811 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 -12.764 1.103 11.455 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 -13.154 0.253 11.255 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 -11.964 0.883 11.955 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 21.066 13.102 11.771 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 20.276 13.102 12.311 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 20.766 12.752 10.931 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 -14.684 -0.117 -3.605 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 -14.784 0.533 -2.905 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 -15.484 -0.047 -4.115 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 20.023 -22.478 -13.529 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 20.323 -21.628 -13.859 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 19.703 -22.288 -12.649 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 9.176 -11.998 -0.074 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 9.336 -12.708 -0.694 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 8.876 -11.268 -0.614 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 15.126 -11.850 17.214 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 15.056 -12.770 16.944 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 15.346 -11.890 18.144 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 16.592 -0.773 -23.076 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 17.262 -0.083 -22.976 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 16.982 -1.543 -22.666 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 -9.553 8.805 18.504 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 -9.813 9.135 19.364 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 -10.313 8.985 17.944 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 17.312 -2.780 -2.044 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 18.212 -2.470 -1.984 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 17.052 -2.590 -2.944 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 -3.241 19.348 -22.828 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 -2.911 19.038 -21.978 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 -2.781 20.178 -22.958 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 10.576 14.894 -16.245 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 9.686 14.564 -16.335 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 10.676 15.514 -16.965 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -22.698 2.495 -6.110 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -23.178 2.175 -5.350 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 -23.308 2.405 -6.840 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 4.897 4.112 -20.556 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 5.317 3.912 -21.396 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 4.327 3.362 -20.396 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -22.113 19.201 6.497 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -21.173 19.181 6.297 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -22.473 18.471 6.007 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 -10.415 -10.517 19.071 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 -10.735 -10.927 18.271 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 -9.515 -10.817 19.151 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 -21.423 23.497 -4.375 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 -22.143 24.087 -4.585 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 -21.003 23.887 -3.615 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 7.008 -18.199 -3.594 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 7.648 -18.889 -3.414 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 7.358 -17.749 -4.364 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 -5.665 23.617 15.136 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 -6.625 23.547 15.146 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 -5.495 24.487 14.776 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 2.458 2.054 18.560 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 2.058 2.614 19.220 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 3.328 2.424 18.420 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -17.829 -23.639 -17.924 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -18.759 -23.659 -17.734 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -17.439 -24.239 -17.294 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 -7.768 -22.618 -7.895 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 -7.288 -23.448 -7.825 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 -8.478 -22.708 -7.265 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 -23.045 -14.598 12.658 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 -23.175 -14.218 13.528 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 -22.155 -14.958 12.688 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 -18.790 9.005 10.940 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 -19.749 8.985 10.870 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -18.480 8.705 10.080 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 5.498 19.710 12.427 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 5.128 18.850 12.227 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 6.438 19.580 12.347 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 -8.519 1.431 -7.473 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 -8.179 1.911 -6.723 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 -8.889 0.631 -7.083 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 16.654 19.991 13.608 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 16.504 20.431 12.768 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 15.874 20.191 14.128 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 15.734 -8.290 -11.803 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 15.044 -8.390 -12.453 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 16.014 -9.190 -11.613 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 16.407 11.214 -8.256 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 15.597 10.714 -8.176 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 17.077 10.554 -8.436 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 20.969 -12.414 -11.460 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 21.329 -11.634 -11.030 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 20.919 -12.174 -12.380 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 16.783 23.461 -2.231 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 17.133 23.391 -1.341 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 17.383 24.051 -2.681 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 -24.119 -19.938 -23.178 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 -23.559 -20.668 -23.428 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 -23.589 -19.428 -22.568 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 22.174 16.848 -21.051 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 21.354 17.288 -21.301 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 22.274 17.048 -20.121 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 10.025 -16.100 1.316 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 10.975 -16.080 1.416 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 9.815 -17.030 1.226 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 2.073 7.612 -15.578 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 2.553 7.292 -16.348 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 2.153 8.562 -15.628 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -6.358 11.730 -7.232 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -7.268 11.440 -7.162 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -6.238 12.320 -6.492 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 -20.343 11.442 -13.967 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 -20.203 10.582 -13.577 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 -20.073 12.062 -13.277 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 4.055 -7.550 -12.879 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 4.505 -6.710 -12.799 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 4.465 -7.970 -13.639 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 16.187 -11.216 5.485 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 15.367 -11.366 5.005 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 15.907 -10.886 6.335 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 19.806 11.155 -19.175 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 20.486 10.505 -19.345 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 20.246 11.995 -19.325 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 14.352 -14.532 -20.234 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 14.702 -13.942 -19.564 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 14.422 -14.042 -21.054 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 12.525 -21.470 -0.118 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 12.095 -21.750 -0.918 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 13.295 -22.040 -0.038 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 0.229 5.524 -20.193 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 -0.301 6.254 -20.523 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 -0.391 4.804 -20.083 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 -12.489 -16.343 -21.929 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 -12.619 -16.913 -21.179 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 -12.839 -15.493 -21.659 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 9.240 -20.773 -23.716 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 8.441 -20.963 -24.206 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 9.131 -21.223 -22.876 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 -6.434 1.736 -2.563 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 -6.094 2.556 -2.213 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 -6.104 1.056 -1.973 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 7.412 -3.444 -24.490 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 7.682 -2.904 -23.750 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 6.962 -4.194 -24.090 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 -24.624 -8.588 8.387 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 -23.954 -9.228 8.647 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 -25.394 -8.838 8.887 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 -23.904 -2.668 -0.616 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 -23.044 -2.408 -0.956 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 -23.714 -3.438 -0.076 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 12.026 12.762 -0.367 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 11.226 12.452 0.063 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 12.016 12.362 -1.227 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 -17.493 -21.165 21.109 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 -17.103 -20.495 20.549 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 -17.893 -20.675 21.829 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -3.013 5.519 19.363 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -3.503 4.839 18.893 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -3.663 6.179 19.573 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 15.471 -18.238 20.956 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 16.411 -18.408 21.026 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 15.050 -19.058 21.196 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 8.461 10.311 -16.554 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 8.761 9.421 -16.364 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 8.581 10.401 -17.494 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 2.066 2.231 -11.086 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 2.286 1.511 -11.676 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 2.916 2.601 -10.846 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 22.221 13.651 -6.047 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 21.591 12.951 -6.227 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 22.301 13.651 -5.097 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -16.037 -2.503 8.444 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -15.937 -1.913 9.194 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -15.187 -2.943 8.374 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -21.112 -20.049 10.581 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -21.062 -20.929 10.221 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -20.582 -19.509 9.991 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 9.283 23.082 20.136 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 8.543 23.642 19.896 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 8.893 22.212 20.266 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 -3.681 -4.591 15.207 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 -3.791 -4.541 16.147 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 -2.751 -4.791 15.077 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 14.586 -9.988 -8.557 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 13.936 -9.878 -9.247 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 15.386 -9.598 -8.907 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 -1.437 9.542 -21.336 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 -0.707 9.892 -20.826 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 -1.057 9.282 -22.166 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 21.323 19.947 18.486 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 21.283 18.987 18.476 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 21.263 20.177 19.416 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 -11.231 -6.510 -20.776 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 -11.241 -6.260 -21.706 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 -11.411 -7.450 -20.786 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -19.934 11.100 -3.536 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -19.354 11.430 -4.216 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -19.364 10.620 -2.946 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 -24.304 16.664 16.473 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 -23.874 17.484 16.213 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 -24.374 16.164 15.653 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 -0.573 18.982 17.413 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 0.357 18.762 17.343 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 -0.743 19.042 18.353 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 -12.981 -14.897 -14.337 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 -13.251 -14.047 -14.687 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 -13.621 -15.517 -14.687 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 16.497 0.099 16.946 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 15.997 -0.661 16.656 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 17.037 0.349 16.196 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 7.312 21.410 -18.517 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 6.722 21.900 -19.097 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 6.772 21.170 -17.767 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 -0.696 1.279 -10.818 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 -0.036 1.449 -11.498 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 -1.166 2.109 -10.738 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 -4.478 3.815 2.818 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 -3.998 2.995 2.918 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 -5.348 3.555 2.508 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 21.228 23.949 24.552 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 20.888 24.069 23.662 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 20.508 23.539 25.032 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 14.717 22.631 -10.111 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 13.907 22.881 -10.541 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 14.967 21.801 -10.521 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 15.392 -1.293 -12.487 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 15.742 -0.443 -12.207 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 15.412 -1.253 -13.447 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 3.078 -23.008 25.238 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 3.138 -22.238 25.808 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 2.728 -22.668 24.418 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 21.722 -25.132 -12.047 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 20.992 -25.092 -11.427 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 21.962 -24.212 -12.197 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 6.537 -5.934 -20.564 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 7.337 -5.974 -20.034 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 5.837 -6.174 -19.954 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 -8.076 -3.038 -25.349 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 -8.676 -3.018 -24.599 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 -7.626 -3.878 -25.259 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 8.864 3.422 -5.480 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 9.484 2.932 -6.030 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 8.734 2.872 -4.710 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 -15.074 -1.733 3.676 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 -15.694 -1.693 4.406 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 -14.274 -1.333 4.006 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 18.876 14.304 -16.396 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 18.506 13.434 -16.256 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 19.586 14.364 -15.746 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 -16.199 9.467 11.289 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 -16.369 10.077 12.009 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 -17.009 9.477 10.779 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -2.823 -10.662 11.973 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -2.893 -11.472 12.483 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -2.853 -9.962 12.623 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 19.306 22.814 13.833 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 19.376 21.864 13.803 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 20.006 23.134 13.253 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 1.108 -7.633 15.959 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 1.688 -7.903 15.239 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 1.598 -7.843 16.749 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 0.872 11.795 -21.163 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 1.572 11.415 -21.693 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 1.272 12.585 -20.783 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 8.437 9.083 0.831 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 7.997 9.083 1.681 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 9.277 8.643 0.991 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 -24.151 -2.976 -16.477 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 -23.491 -3.066 -17.167 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 -24.141 -3.826 -16.027 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 -0.436 12.501 3.465 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 -1.366 12.371 3.265 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 -0.036 11.651 3.285 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 14.857 -19.316 -18.680 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 13.917 -19.506 -18.700 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 15.147 -19.676 -17.840 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 -4.804 -10.605 -7.029 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 -4.394 -10.705 -7.889 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 -4.584 -11.415 -6.559 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 -21.695 15.877 -5.041 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 -21.505 16.717 -4.631 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 -20.835 15.517 -5.271 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 1.561 0.005 -7.097 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 0.861 0.065 -6.447 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 1.361 -0.785 -7.597 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 -8.237 21.884 -1.836 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 -8.257 22.654 -1.256 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 -8.127 21.144 -1.236 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 -22.124 -17.037 24.832 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 -21.474 -17.617 24.432 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 -22.844 -17.617 25.092 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -21.222 23.909 -6.941 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -21.792 23.229 -7.291 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -21.182 23.739 -6.001 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 6.441 4.802 -15.234 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 6.460 5.402 -15.984 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 5.891 4.072 -15.524 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 -9.142 -16.426 15.401 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 -9.632 -15.656 15.101 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 -8.252 -16.286 15.061 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 19.209 9.797 -6.975 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 18.279 9.577 -7.025 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 19.339 10.087 -6.075 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 -5.875 11.525 -4.406 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 -5.905 10.585 -4.236 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 -6.115 11.925 -3.576 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 12.871 0.016 11.229 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 12.301 0.556 10.689 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 12.291 -0.404 11.859 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 5.048 20.544 -16.644 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 4.258 21.044 -16.844 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 4.878 20.144 -15.794 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 23.432 3.158 2.542 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 24.182 3.708 2.302 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 22.792 3.298 1.842 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -1.148 -22.647 -11.260 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -1.368 -23.537 -11.510 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -1.718 -22.097 -11.790 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -20.315 20.665 14.744 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -19.525 20.455 14.254 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -20.025 20.765 15.644 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 -2.552 -8.303 -25.040 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 -2.792 -7.423 -24.760 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 -2.872 -8.873 -24.350 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 22.998 -17.479 -17.120 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 23.458 -17.999 -16.470 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 23.178 -16.569 -16.860 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 10.197 -10.725 24.780 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 9.657 -11.415 24.400 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 10.957 -11.185 25.140 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 17.238 -1.992 -18.627 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 17.138 -1.212 -18.077 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 16.708 -1.802 -19.407 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 -23.498 -16.428 3.215 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 -24.338 -16.018 3.445 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 -22.958 -16.308 4.005 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -12.124 -21.054 -6.313 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -12.244 -20.364 -5.663 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -12.974 -21.494 -6.363 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 -2.031 -24.981 16.030 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 -1.261 -24.511 16.350 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 -2.661 -24.911 16.750 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 -0.679 0.490 10.903 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 -0.149 1.110 11.393 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 -0.309 -0.370 11.113 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 -21.315 -2.362 -0.994 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 -20.365 -2.502 -0.944 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 -21.455 -1.502 -0.594 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -16.759 16.830 -5.105 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -15.849 16.550 -5.185 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -16.739 17.770 -5.305 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 -13.621 18.327 10.894 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 -13.941 17.777 10.184 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 -13.831 17.837 11.694 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 -22.276 9.946 24.049 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 -22.966 10.596 24.139 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 -22.036 9.966 23.119 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 -21.623 15.212 12.482 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 -21.413 14.302 12.692 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 -21.243 15.362 11.622 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 9.155 15.619 -19.509 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 9.915 15.049 -19.589 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 8.545 15.299 -20.179 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 14.531 25.433 12.443 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 14.881 24.543 12.353 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 14.391 25.723 11.543 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 5.276 -11.996 -19.254 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 4.976 -12.776 -19.724 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 5.366 -11.336 -19.934 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 9.899 23.949 9.063 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 10.169 24.759 9.483 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 9.509 24.229 8.233 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 -25.223 10.101 -10.897 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 -24.343 9.861 -10.627 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 -25.793 9.491 -10.437 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 -18.752 -2.886 18.928 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 -17.892 -2.756 19.318 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 -18.902 -2.086 18.428 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 1.478 14.983 -20.444 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 1.248 15.003 -21.374 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 0.638 14.973 -19.984 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -3.017 14.143 13.712 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -3.677 14.523 13.122 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -2.237 14.683 13.562 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 16.537 0.346 13.960 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 17.307 -0.144 14.260 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 15.797 -0.224 14.160 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -23.021 -11.940 -15.783 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -22.111 -12.010 -16.083 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -23.541 -11.930 -16.583 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 8.501 9.500 -19.924 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 8.671 10.440 -20.004 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 9.341 9.130 -19.634 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 -23.497 9.290 -23.678 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 -23.367 10.190 -23.998 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 -22.627 8.890 -23.748 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -20.178 19.386 -0.199 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -20.008 19.346 0.741 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -20.028 18.486 -0.499 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 -23.267 11.365 -18.460 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 -23.167 12.305 -18.380 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 -22.397 11.015 -18.260 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 0.745 -21.948 11.508 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 1.125 -21.168 11.928 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 1.405 -22.628 11.638 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 8.382 14.012 6.946 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 8.692 13.152 7.226 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 7.502 13.852 6.606 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 10.197 -4.811 -23.353 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 9.317 -5.181 -23.293 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 10.537 -5.151 -24.183 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 -19.095 7.113 22.186 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 -19.175 7.893 22.716 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 -19.525 6.423 22.696 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 4.022 -20.593 22.039 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 4.672 -21.133 21.579 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 4.302 -19.693 21.879 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 7.965 -6.899 -0.888 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 7.415 -7.089 -1.658 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 8.825 -6.669 -1.258 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 6.901 20.111 24.649 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 7.071 19.561 23.879 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 7.631 20.721 24.679 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 21.322 4.585 -5.844 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 22.222 4.895 -5.854 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 21.192 4.235 -4.964 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 -2.301 6.867 17.094 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 -3.061 7.267 17.504 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 -1.841 6.427 17.814 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 -25.126 19.945 -22.434 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 -24.756 20.765 -22.754 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 -24.416 19.535 -21.934 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 -5.254 18.158 -10.460 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 -4.324 18.238 -10.260 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 -5.644 17.818 -9.650 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 20.174 -16.564 -22.972 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 21.054 -16.764 -22.662 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 19.884 -17.354 -23.422 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 23.657 1.766 -11.931 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 24.597 1.846 -11.761 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 23.417 0.926 -11.531 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 -2.324 17.226 1.568 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 -2.954 16.846 2.188 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 -1.964 17.986 2.018 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 20.717 -15.309 -16.841 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 20.387 -14.519 -17.271 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 21.657 -15.169 -16.761 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 -21.455 -9.333 18.679 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 -20.885 -9.863 18.129 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 -20.865 -8.773 19.179 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 6.959 -3.755 22.736 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 7.399 -3.225 23.406 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 6.129 -4.015 23.126 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 10.465 -16.654 -23.181 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 10.605 -17.414 -23.741 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 9.705 -16.204 -23.561 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 19.633 15.502 3.855 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 19.273 16.052 3.165 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 18.953 14.842 4.015 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 -15.514 -5.628 -25.093 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 -16.184 -6.268 -24.883 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 -14.694 -6.048 -24.853 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 6.829 -17.175 -16.988 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 6.359 -17.165 -16.158 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 7.469 -16.465 -16.898 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 6.445 11.440 -25.015 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 7.095 11.090 -24.415 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 6.215 10.700 -25.585 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 -22.483 12.692 -4.945 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 -22.443 13.402 -5.585 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 -23.333 12.272 -5.115 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 21.289 -1.189 -24.045 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 21.169 -2.089 -23.765 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 22.119 -0.919 -23.655 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -5.133 18.475 -0.141 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -4.773 18.115 0.669 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -5.423 17.705 -0.631 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 -20.401 -1.287 2.285 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 -21.191 -1.827 2.365 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 -19.791 -1.677 2.905 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 -5.558 -2.660 0.745 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 -5.428 -3.050 1.615 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 -6.488 -2.440 0.735 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 8.378 24.638 -9.386 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 8.808 23.878 -8.996 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 7.868 25.018 -8.666 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 23.217 22.608 -15.488 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 22.307 22.858 -15.668 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 23.527 22.208 -16.298 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 18.174 24.693 -20.259 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 18.924 25.073 -19.809 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 17.804 25.423 -20.749 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 16.496 -14.116 18.479 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 16.886 -14.916 18.839 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 17.236 -13.616 18.159 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 3.936 -21.916 5.859 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 4.106 -22.836 6.049 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 4.466 -21.436 6.499 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 6.627 -9.926 9.658 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 6.757 -9.046 9.998 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 6.167 -10.396 10.348 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 24.131 -4.105 -21.592 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 23.511 -4.815 -21.372 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 24.381 -3.735 -20.752 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 -24.321 11.422 21.509 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 -25.091 11.033 21.919 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 -24.321 12.333 21.819 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 -6.587 -15.020 -22.177 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 -6.567 -14.140 -21.807 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 -7.007 -15.560 -21.507 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 -23.943 -5.605 -15.821 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 -24.613 -5.325 -15.191 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 -23.553 -6.385 -15.421 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 12.415 -20.260 -6.140 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 12.095 -19.360 -6.120 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 12.155 -20.590 -6.990 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 -23.057 -24.385 -4.427 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 -22.567 -24.025 -5.167 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 -23.247 -23.625 -3.877 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 -13.898 18.649 -12.608 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 -14.048 17.879 -12.068 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 -13.358 19.229 -12.068 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 -6.442 21.664 18.441 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 -7.052 21.744 17.711 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 -5.692 21.184 18.091 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 -18.759 2.700 -19.559 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 -18.969 1.990 -20.169 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 -18.879 3.500 -20.069 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 -6.601 -19.074 20.467 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 -7.211 -19.454 19.837 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 -6.731 -19.584 21.267 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 11.146 6.820 13.465 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 10.606 7.430 12.955 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 10.936 5.960 13.105 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -19.808 8.860 -12.401 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -19.188 8.680 -13.101 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -19.878 8.030 -11.921 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 -24.434 8.691 8.061 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 -25.164 8.861 7.471 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 -24.834 8.241 8.811 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 -20.333 -24.925 7.027 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 -19.503 -24.905 7.497 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 -20.643 -24.015 7.047 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 7.170 25.377 24.349 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 7.881 25.577 24.959 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 6.541 24.887 24.869 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 -1.367 19.277 7.949 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 -1.347 19.907 8.659 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 -1.047 19.747 7.189 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 17.326 -19.797 -9.228 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 17.386 -18.857 -9.398 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 17.226 -19.867 -8.278 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 15.933 13.455 12.274 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 15.073 13.485 12.684 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 16.173 14.375 12.134 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 -8.186 11.153 9.882 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 -7.406 10.623 9.732 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 -8.906 10.623 9.572 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 12.408 1.900 4.896 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 13.338 2.150 4.866 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 11.978 2.550 4.346 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 11.313 19.753 -16.503 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 10.513 20.243 -16.303 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 11.383 19.113 -15.803 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 3.579 -12.160 14.138 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 3.789 -11.380 14.648 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 4.239 -12.800 14.388 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 -13.498 25.258 22.613 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 -13.768 26.138 22.873 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 -13.958 24.688 23.233 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 -24.356 4.540 -13.840 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 -24.646 3.630 -13.940 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 -23.676 4.650 -14.500 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -12.263 -21.444 -24.597 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -11.683 -21.344 -25.367 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -12.473 -22.374 -24.577 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -24.722 -21.646 14.609 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -25.332 -22.296 14.939 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -24.432 -21.986 13.769 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 24.745 21.787 1.777 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 25.675 21.687 1.987 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 24.375 20.917 1.907 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 -15.003 23.809 -11.951 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 -15.353 22.929 -11.801 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 -14.513 23.739 -12.771 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 8.344 19.495 15.453 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 8.864 20.195 15.853 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 7.564 19.925 15.113 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 18.773 -22.855 23.331 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 17.903 -22.655 22.991 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 18.933 -22.175 23.991 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 -5.752 -3.382 4.086 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 -5.742 -3.862 4.916 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 -5.332 -2.552 4.276 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 25.335 -10.196 -22.521 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 24.555 -9.666 -22.641 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 25.015 -11.026 -22.161 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 -7.415 -5.925 -16.214 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 -7.665 -5.965 -17.134 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 -6.475 -6.125 -16.204 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 -0.012 13.115 15.467 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 -0.522 12.345 15.727 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 0.638 12.785 14.857 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 18.745 4.739 8.643 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 18.305 4.539 9.463 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 18.085 4.549 7.963 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -3.889 -24.838 -9.340 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -3.329 -24.188 -8.930 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -3.790 -25.618 -8.790 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 -7.886 23.612 22.680 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 -8.136 22.872 23.240 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 -7.396 23.212 21.960 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 19.912 -23.207 20.746 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 20.272 -22.327 20.596 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 19.512 -23.147 21.616 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 -10.034 7.540 -20.289 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 -10.504 6.730 -20.479 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 -10.074 8.030 -21.109 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 16.516 6.535 16.204 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 16.646 7.305 15.654 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 15.706 6.135 15.874 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 21.081 3.975 -24.706 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 21.971 4.115 -24.376 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 21.071 3.055 -24.986 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 -23.131 14.360 20.743 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 -23.911 14.660 20.273 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 -23.261 14.640 21.643 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 11.766 3.010 -0.653 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 11.246 2.250 -0.383 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 12.656 2.800 -0.373 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 -20.496 2.387 6.989 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 -20.196 2.787 6.169 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 -20.486 3.097 7.629 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 -16.482 -13.741 5.176 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 -16.902 -13.321 5.936 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 -16.842 -13.281 4.416 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 -22.941 -12.128 24.700 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 -22.221 -12.668 25.020 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 -23.671 -12.328 25.280 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 24.147 -13.733 9.796 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 23.597 -13.803 10.576 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 23.677 -13.123 9.226 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 -18.801 -1.513 9.587 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 -18.251 -2.163 9.167 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 -18.361 -0.683 9.437 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 -23.438 4.016 14.323 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 -23.548 3.956 13.383 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 -22.858 4.776 14.453 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 -1.943 -6.568 -18.279 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 -1.763 -5.647 -18.439 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 -2.733 -6.568 -17.729 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 19.534 6.452 -5.759 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 20.174 7.102 -5.469 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 20.034 5.642 -5.859 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 -7.983 16.128 -24.307 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 -8.103 15.198 -24.457 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 -8.853 16.508 -24.377 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -4.071 16.726 -13.842 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -3.881 15.946 -14.372 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -3.531 16.616 -13.052 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 18.587 15.022 11.081 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 18.287 14.202 11.481 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 17.847 15.622 11.181 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 24.738 10.019 13.482 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 23.888 10.049 13.922 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 24.818 9.109 13.172 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 23.201 -16.498 8.581 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 23.991 -16.168 9.011 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 23.370 -16.368 7.651 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 -17.175 5.888 4.747 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 -17.895 6.438 5.057 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 -17.605 5.078 4.467 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 -8.912 -7.173 4.311 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 -8.092 -7.083 4.801 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 -9.002 -8.113 4.171 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 -8.774 -14.571 -25.224 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 -9.224 -13.821 -24.834 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 -9.244 -15.331 -24.864 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 17.188 -24.285 -14.478 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 16.978 -23.695 -15.198 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 18.088 -24.065 -14.228 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 -25.024 -12.924 -13.879 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 -24.104 -13.054 -14.129 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 -25.274 -12.114 -14.319 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 9.467 16.306 24.931 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 9.147 16.856 24.221 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 8.777 15.666 25.081 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 23.914 19.792 -4.091 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 24.404 20.612 -4.101 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 23.434 19.812 -3.271 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 24.355 -18.928 -14.817 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 25.215 -18.508 -14.727 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 23.855 -18.608 -14.067 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 -2.355 -7.715 -6.191 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 -1.565 -7.915 -6.691 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 -3.045 -8.245 -6.601 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 0.793 2.843 -23.116 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 1.503 2.693 -23.736 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 0.513 3.743 -23.286 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 7.577 24.149 6.905 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 6.887 24.159 7.565 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 7.117 24.289 6.075 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 -3.955 -9.856 -11.109 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 -3.625 -9.056 -10.709 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 -4.625 -9.556 -11.719 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 21.002 -19.537 -8.377 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 21.702 -19.347 -7.757 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 20.192 -19.407 -7.877 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 -2.019 0.462 -18.957 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 -1.789 1.192 -19.537 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 -1.789 0.772 -18.087 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 -12.397 -2.997 -13.639 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 -11.847 -3.167 -14.399 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 -13.297 -3.117 -13.959 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 -8.345 14.832 -9.604 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 -8.335 15.712 -9.214 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 -9.245 14.532 -9.484 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 -9.289 23.956 -22.727 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 -9.649 24.096 -21.857 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 -8.499 23.436 -22.577 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 12.005 16.470 -9.725 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 12.885 16.820 -9.595 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 11.505 16.780 -8.975 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 20.479 -3.557 12.468 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 21.429 -3.557 12.368 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 20.159 -3.227 11.628 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 20.786 -4.539 0.055 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 21.466 -5.039 0.515 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 19.976 -5.009 0.245 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 10.684 -4.737 16.068 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 11.154 -4.857 15.248 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 10.424 -3.817 16.068 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 9.908 -5.793 13.103 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 10.728 -5.313 12.953 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 10.198 -6.653 13.403 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 5.822 0.553 -21.068 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 6.532 0.993 -20.598 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 5.212 1.253 -21.298 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -4.613 3.723 7.142 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -4.453 3.903 8.072 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -3.983 3.033 6.922 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 21.653 -11.187 -6.945 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 20.733 -11.417 -7.065 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 21.663 -10.657 -6.145 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 23.938 4.046 -7.007 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 24.328 3.186 -7.147 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 24.368 4.616 -7.637 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 -14.666 12.373 -24.201 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 -14.436 13.283 -23.981 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 -14.426 11.873 -23.421 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 19.015 -12.547 17.398 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 19.235 -11.647 17.638 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 18.785 -12.497 16.468 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 7.542 -16.999 -11.393 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 7.962 -17.649 -11.963 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 6.932 -17.509 -10.863 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 8.994 -12.139 15.648 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 9.924 -12.369 15.588 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 8.534 -12.919 15.328 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 -18.491 20.439 -7.500 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 -17.771 20.379 -6.880 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 -19.271 20.269 -6.970 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 14.982 -16.727 14.051 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 14.452 -16.708 14.841 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 14.732 -15.938 13.571 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -1.286 16.826 13.242 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -1.626 17.116 14.092 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -0.336 16.896 13.342 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 10.352 11.552 2.216 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 9.482 11.652 2.606 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 10.892 12.192 2.676 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 2.155 -13.178 -5.623 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 1.845 -12.438 -6.143 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 2.765 -13.648 -6.193 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 -2.642 9.790 17.773 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 -2.392 10.090 16.893 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 -2.582 10.570 18.323 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 20.695 -14.393 -8.844 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 21.035 -13.743 -9.454 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 20.595 -15.183 -9.374 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 -0.856 15.888 18.407 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 -0.976 16.758 18.777 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 -1.446 15.328 18.907 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 1.556 -16.897 1.579 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 2.426 -17.037 1.949 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 1.166 -17.777 1.519 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 -5.536 -23.619 5.309 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 -4.666 -23.259 5.199 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 -5.396 -24.529 5.579 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -5.647 13.255 -22.260 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -5.047 13.515 -21.560 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -6.467 13.065 -21.810 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 7.292 6.682 -6.458 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 7.322 5.992 -7.128 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 6.502 6.492 -5.968 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 -15.032 -20.249 19.933 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 -14.312 -20.099 20.543 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 -15.382 -19.379 19.763 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 -11.094 8.411 -14.545 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 -10.804 8.831 -15.355 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 -10.654 7.561 -14.545 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 -5.484 5.758 -18.751 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 -5.634 6.288 -19.541 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 -6.214 5.988 -18.171 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 -25.338 14.883 -4.330 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 -25.018 14.603 -5.190 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 -24.538 15.013 -3.810 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 -24.785 -2.442 18.009 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 -25.095 -1.862 18.709 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 -25.065 -3.322 18.279 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 -5.577 -20.818 25.487 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 -5.407 -21.558 24.897 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 -6.237 -20.288 25.027 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 -5.758 17.872 22.849 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 -4.858 17.662 22.579 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 -6.208 17.032 22.869 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 0.377 9.632 -13.401 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 1.127 9.392 -13.961 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 0.377 8.962 -12.721 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -19.023 22.632 5.857 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -18.163 23.023 5.687 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -19.653 23.322 5.647 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 -23.736 -10.781 -12.153 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 -23.936 -10.491 -11.263 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 -23.716 -9.971 -12.663 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 11.364 16.479 -18.246 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 11.644 16.749 -19.116 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 10.414 16.509 -18.276 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 21.446 -14.715 11.652 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 22.006 -15.495 11.682 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 20.566 -15.055 11.812 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 7.588 0.802 25.173 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 7.808 1.282 24.373 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 6.688 0.522 25.043 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 20.185 22.332 1.493 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 20.855 21.702 1.753 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 19.455 22.162 2.093 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 -1.023 -14.210 14.046 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 -0.293 -14.650 13.616 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 -1.173 -14.720 14.846 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -2.174 15.186 20.876 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -1.844 16.076 20.996 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -1.974 14.736 21.696 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -2.329 -2.755 8.641 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -2.700 -2.225 9.351 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -1.429 -2.445 8.551 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 -2.231 -13.848 -12.380 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 -2.661 -14.678 -12.580 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 -1.361 -13.928 -12.760 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -13.178 21.522 7.485 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -12.738 22.372 7.515 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -12.648 20.962 8.055 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -9.801 -24.088 -23.592 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -9.511 -24.988 -23.462 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -10.751 -24.128 -23.582 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -23.943 0.446 -0.711 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -24.183 -0.274 -0.131 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -23.313 0.956 -0.201 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 -3.785 -16.583 -14.244 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 -3.245 -16.493 -15.034 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 -3.545 -17.433 -13.874 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 -6.629 -6.690 -4.651 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 -6.469 -7.140 -5.481 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 -5.889 -6.090 -4.561 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 15.007 -18.332 6.106 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 14.667 -17.532 5.696 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 14.857 -18.202 7.036 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 -6.638 -7.378 5.907 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 -6.868 -8.278 5.697 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 -5.848 -7.208 5.387 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 22.486 11.612 -11.901 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 22.556 11.002 -11.171 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 21.546 11.692 -12.051 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 20.754 17.025 13.008 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 21.194 16.455 12.368 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 20.574 16.445 13.748 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 9.164 15.960 8.669 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 9.344 15.270 8.039 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 8.224 15.880 8.849 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 22.118 6.048 -18.925 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 22.398 6.758 -18.345 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 21.798 5.368 -18.325 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 -12.321 10.283 5.489 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 -13.131 10.213 5.999 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 -12.211 11.223 5.349 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 23.575 -25.273 -23.071 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 23.205 -24.723 -22.381 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 23.635 -24.703 -23.831 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 21.318 11.211 0.706 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 21.458 10.261 0.666 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 21.948 11.571 0.076 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 -19.322 -19.379 7.856 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 -19.602 -20.279 7.706 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 -18.632 -19.229 7.206 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 12.417 21.091 20.176 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 12.077 20.231 20.416 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 13.197 20.901 19.656 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 7.812 15.973 19.697 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 8.042 15.213 20.227 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 6.882 15.873 19.507 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 23.036 5.197 11.518 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 23.016 4.927 12.428 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 22.656 4.457 11.038 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 17.862 -11.943 12.129 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 17.002 -11.893 11.709 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 18.492 -11.783 11.419 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -23.786 23.487 -0.097 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -24.086 24.047 -0.817 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -24.526 22.907 0.073 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 -7.244 14.478 -16.595 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 -6.324 14.728 -16.645 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 -7.384 13.958 -17.385 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 21.911 -7.163 9.740 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 21.141 -6.753 10.140 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 22.061 -7.953 10.260 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 25.371 21.808 8.403 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 24.531 21.418 8.613 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 25.471 22.528 9.023 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 16.227 -8.106 24.356 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 15.687 -8.306 23.586 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 15.737 -7.436 24.826 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 -2.484 -25.057 20.216 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 -1.804 -24.477 20.586 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 -3.104 -24.457 19.796 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 -18.729 2.290 10.516 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 -18.420 3.020 11.056 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 -19.240 1.740 11.126 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 -20.409 17.895 16.736 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 -20.219 17.635 15.836 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 -20.559 18.835 16.686 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -23.096 7.625 14.036 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 -23.846 7.545 13.456 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -23.466 7.835 14.886 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 -1.796 20.187 -4.951 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 -2.186 19.327 -4.761 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 -1.306 20.047 -5.761 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 6.849 -10.427 16.036 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 6.609 -10.317 16.956 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 7.639 -10.967 16.056 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 9.137 24.067 -15.812 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 8.417 24.087 -16.452 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 9.837 23.597 -16.252 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 -20.543 24.176 -15.427 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 -21.403 24.206 -15.017 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 -19.923 24.186 -14.697 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 15.896 -12.247 23.128 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 14.996 -12.027 22.848 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 16.276 -12.697 22.368 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 -2.027 -14.252 16.801 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 -2.257 -13.332 16.961 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 -2.207 -14.682 17.631 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 -3.859 -7.197 -22.423 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 -4.399 -7.727 -23.013 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 -3.999 -6.297 -22.713 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 -12.331 -12.019 -22.241 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 -11.951 -11.139 -22.161 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 -13.221 -11.919 -21.921 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 6.074 23.574 8.963 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 6.304 22.694 9.253 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 6.374 24.144 9.673 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 16.895 -13.871 5.233 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 16.125 -14.361 4.943 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 16.545 -13.001 5.433 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 4.929 -20.151 -2.466 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 5.529 -20.791 -2.086 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 5.499 -19.521 -2.916 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 -1.571 9.416 -6.430 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 -0.631 9.236 -6.530 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 -1.911 8.646 -5.970 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 0.167 -12.461 -17.195 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 -0.613 -12.151 -16.735 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 0.127 -12.041 -18.055 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 4.369 4.057 -6.393 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 3.999 4.557 -7.123 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 4.509 4.707 -5.703 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 3.667 5.574 24.796 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 2.777 5.504 25.126 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 3.587 5.454 23.856 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 9.328 6.753 10.751 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 9.498 7.493 11.331 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 8.388 6.573 10.861 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -7.508 -0.641 10.748 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -6.558 -0.651 10.638 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -7.838 -0.171 9.988 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 17.529 8.573 -2.418 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 17.169 7.993 -1.738 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 17.579 9.433 -2.008 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 13.929 -12.735 -22.905 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 14.479 -13.385 -23.335 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 13.809 -12.045 -23.555 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 14.265 25.362 9.796 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 13.535 24.972 9.306 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 15.025 24.832 9.556 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 22.552 -16.781 -9.948 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 22.512 -17.191 -9.078 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 23.322 -16.211 -9.908 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 -12.123 -17.464 -14.354 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 -12.273 -17.584 -15.294 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 -12.073 -16.514 -14.244 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 2.337 -20.306 13.009 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 2.137 -19.396 12.799 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 3.227 -20.436 12.679 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 23.004 16.368 5.235 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 23.284 16.948 4.525 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 23.394 15.518 5.015 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 -20.193 -5.253 18.790 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 -19.783 -4.413 18.570 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 -19.633 -5.623 19.470 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 -21.841 17.877 11.452 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 -21.841 16.997 11.812 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 -20.911 18.127 11.422 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -1.189 -13.239 21.907 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -0.839 -13.139 22.787 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -2.140 -13.319 22.037 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 8.872 7.327 -14.461 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 9.152 7.407 -15.371 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 8.302 6.557 -14.451 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 -12.974 -12.085 7.828 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 -12.374 -11.385 8.108 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 -12.714 -12.845 8.348 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -5.004 19.529 17.676 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -4.864 18.579 17.706 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -4.544 19.819 16.886 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 -13.868 -0.047 -10.030 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 -13.288 -0.607 -10.550 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 -14.748 -0.307 -10.300 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 10.624 9.094 -8.483 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 10.214 8.374 -8.963 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 10.054 9.234 -7.723 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 19.692 2.271 -19.802 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 20.612 2.441 -19.982 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 19.322 3.131 -19.612 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -11.686 -16.427 7.019 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -12.626 -16.547 6.989 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -11.556 -15.687 7.629 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 1.412 4.020 20.362 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 2.032 3.930 21.092 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 0.812 4.710 20.652 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 -17.311 -1.605 21.279 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 -17.731 -2.465 21.319 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 -17.681 -1.115 22.009 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 0.198 -9.361 -15.404 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 0.118 -9.321 -16.354 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 1.078 -9.681 -15.244 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 -13.106 -22.993 9.416 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 -13.446 -22.283 9.966 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 -12.606 -23.543 10.016 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -15.332 21.730 9.363 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -14.432 21.630 9.073 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -15.682 22.440 8.823 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 1.252 -10.436 0.762 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 1.622 -10.926 1.502 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 1.682 -9.586 0.812 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 -19.825 20.872 9.092 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 -20.425 21.532 8.742 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 -20.365 20.342 9.672 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 -9.425 -17.040 -18.604 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 -10.345 -17.240 -18.414 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 -9.295 -16.160 -18.234 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 -5.074 11.001 -23.614 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 -5.154 11.911 -23.334 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 -4.134 10.881 -23.784 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -9.532 -10.216 1.388 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -10.052 -9.766 2.058 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -10.192 -10.566 0.778 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 0.995 22.212 17.826 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 1.515 21.792 17.136 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 0.145 21.782 17.776 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -17.192 11.897 15.596 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -17.522 11.297 14.926 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -17.942 12.447 15.816 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 11.312 2.262 -11.778 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 10.822 2.362 -12.588 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 10.982 2.952 -11.198 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 -18.923 15.263 -3.842 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 -18.903 14.403 -4.262 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 -18.223 15.753 -4.272 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 10.403 -16.882 -17.120 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 11.263 -16.802 -16.700 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 9.893 -17.412 -16.520 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 14.587 -2.597 6.982 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 14.987 -2.637 7.852 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 14.597 -1.667 6.762 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 11.026 -14.100 18.359 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 11.976 -14.180 18.399 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 10.846 -13.250 18.749 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 15.133 -7.930 3.873 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 15.483 -8.770 4.183 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 15.883 -7.520 3.433 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 24.374 19.340 6.338 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 24.544 18.500 6.748 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 24.114 19.120 5.438 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 11.455 22.923 -13.061 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 11.355 22.403 -12.261 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 12.035 23.643 -12.801 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -1.038 -7.031 11.049 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -0.828 -7.761 10.469 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -0.538 -6.291 10.709 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 -0.286 -19.239 24.388 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 -1.016 -19.539 23.848 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 0.294 -18.789 23.778 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 -25.248 -24.341 -13.234 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 -25.008 -25.231 -12.974 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 -25.048 -23.801 -12.464 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 13.756 10.235 -9.297 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 13.366 9.575 -9.867 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 13.926 9.765 -8.477 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -15.119 -4.856 -20.731 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -15.829 -5.406 -20.391 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -14.319 -5.226 -20.351 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -9.456 14.852 16.612 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -9.216 13.932 16.522 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -8.936 15.162 17.352 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 7.631 20.975 -22.625 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 7.211 21.795 -22.385 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 6.911 20.405 -22.885 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 -16.377 -12.993 -13.514 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 -16.097 -12.083 -13.514 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 -17.187 -13.003 -13.014 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 12.408 -3.518 -6.549 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 12.098 -4.198 -5.959 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 13.308 -3.338 -6.249 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 -24.695 -15.865 10.416 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 -25.295 -15.155 10.626 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 -24.095 -15.895 11.166 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 10.589 8.896 16.402 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 9.649 9.066 16.322 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 10.889 9.526 17.052 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 11.327 -7.048 -3.987 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 12.157 -6.588 -3.847 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 11.027 -7.268 -3.107 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 -1.766 22.816 24.828 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 -1.596 23.676 24.428 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 -1.656 22.196 24.118 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 13.281 14.302 -21.301 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 13.830 15.092 -21.311 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 13.900 13.582 -21.271 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 13.565 -18.197 -9.306 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 13.295 -17.647 -8.576 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 13.405 -19.087 -9.006 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 23.092 25.475 -15.778 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 22.422 25.085 -15.208 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 23.232 24.815 -16.458 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 4.812 -9.500 14.375 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 5.462 -10.050 14.825 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 4.762 -8.710 14.915 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 -12.293 -19.694 18.463 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 -12.473 -20.034 19.343 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 -13.033 -19.104 18.283 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 7.479 -6.970 15.132 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 7.749 -6.750 14.242 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 8.169 -6.620 15.682 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 6.932 9.569 -1.222 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 7.832 9.239 -1.172 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 6.692 9.729 -0.312 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 1.114 16.485 -11.968 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 0.754 15.645 -12.248 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 1.374 16.335 -11.058 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 3.062 -6.683 9.139 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 2.982 -7.543 9.549 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 3.992 -6.583 8.939 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 5.638 20.607 19.264 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 6.068 19.827 18.914 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 4.818 20.287 19.634 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 -0.328 -0.104 -14.553 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 -0.998 -0.444 -15.153 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 -0.428 -0.624 -13.763 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -14.502 -22.886 -2.404 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -14.232 -22.876 -1.484 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -13.852 -22.346 -2.844 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 -17.186 -9.563 8.515 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 -17.926 -9.573 7.905 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 -16.446 -9.843 7.985 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 3.704 -10.683 -14.728 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 4.354 -11.003 -14.098 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 4.104 -9.903 -15.108 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 -13.071 -14.944 -24.711 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 -13.411 -14.524 -23.921 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 -12.351 -14.374 -24.991 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 20.198 -1.527 -4.864 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 20.388 -2.397 -4.504 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 20.618 -0.927 -4.244 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 -22.045 -13.426 -5.951 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 -22.835 -13.876 -6.231 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 -22.105 -13.396 -5.001 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 10.808 -24.432 10.492 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 11.568 -24.862 10.882 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 10.538 -23.782 11.142 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -3.575 10.533 0.215 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -3.215 9.733 -0.175 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -3.185 10.553 1.095 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 19.235 -7.750 11.374 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 18.915 -6.920 11.024 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 18.935 -7.760 12.284 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 -15.125 -20.709 24.521 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 -15.385 -21.469 25.041 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 -14.305 -20.409 24.921 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 24.346 -9.647 1.280 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 23.976 -8.797 1.540 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 24.626 -10.047 2.110 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 7.548 9.626 16.426 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 6.868 8.966 16.596 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 7.188 10.436 16.786 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 -16.211 20.127 5.093 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 -16.241 20.577 5.933 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 -15.731 19.317 5.263 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -15.236 -13.088 9.050 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -14.496 -13.548 9.450 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -14.836 -12.388 8.530 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 22.191 20.452 0.918 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 22.701 19.862 1.488 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 21.831 19.872 0.248 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 -10.871 3.758 -6.832 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 -10.601 2.918 -7.202 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 -11.691 3.568 -6.372 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -2.644 21.722 17.931 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -3.034 22.602 17.901 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -3.034 21.312 18.701 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 -7.192 7.707 17.978 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 -7.952 8.167 18.338 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 -6.432 8.157 18.358 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -10.304 -11.556 -1.283 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -10.564 -12.076 -2.053 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -9.954 -12.206 -0.663 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 18.032 9.018 -18.682 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 18.512 8.338 -19.152 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 18.142 9.808 -19.212 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 14.486 13.829 0.430 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 15.356 13.449 0.530 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 13.966 13.149 0.000 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 6.887 16.694 -16.284 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 6.707 17.404 -15.664 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 7.287 17.124 -17.034 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 -15.926 17.191 -15.294 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 -16.046 16.701 -14.474 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 -14.976 17.221 -15.414 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 -15.000 3.290 14.353 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 -15.770 3.790 14.073 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 -15.049 3.290 15.313 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 -14.122 12.063 -6.147 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 -13.642 12.023 -5.317 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 -13.662 12.742 -6.647 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 23.974 -1.919 21.256 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 23.454 -1.809 22.046 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 24.764 -2.379 21.546 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -7.636 23.606 -9.592 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -6.836 23.416 -10.082 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -8.346 23.416 -10.212 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -3.319 -1.858 11.884 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -2.489 -2.058 12.314 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -3.989 -2.078 12.524 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 -5.331 17.894 -18.365 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 -6.021 18.334 -18.855 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 -4.661 18.564 -18.245 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 8.502 -3.114 -21.477 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 9.222 -3.464 -21.997 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 8.932 -2.554 -20.827 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 -15.809 23.390 -21.680 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 -15.169 23.710 -22.320 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 -15.979 24.150 -21.120 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 3.502 -24.055 0.981 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 2.772 -24.275 1.561 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 3.602 -23.105 1.061 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 11.813 9.202 -12.955 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 12.743 9.122 -13.185 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 11.633 10.142 -13.005 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 23.120 12.498 -8.584 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 22.340 12.538 -8.024 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 22.780 12.648 -9.464 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 0.949 5.027 -10.927 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 0.689 4.127 -11.107 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 1.769 4.957 -10.447 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 -8.286 10.719 14.615 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 -8.236 9.759 14.635 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 -9.106 10.929 15.075 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 -7.025 -12.601 -7.890 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 -7.035 -12.201 -7.020 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 -6.965 -11.861 -8.490 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 24.422 -13.811 -2.111 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 23.492 -13.851 -2.351 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 24.712 -12.951 -2.431 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 0.587 -5.148 23.423 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 0.727 -5.928 23.963 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 1.387 -5.078 22.893 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 -17.717 -13.061 -18.380 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 -17.057 -13.211 -19.050 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 -17.477 -13.641 -17.650 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -9.097 12.007 17.346 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -8.247 11.877 17.766 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -9.637 12.427 18.016 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 -2.938 19.286 -2.614 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 -2.548 18.776 -1.904 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 -2.958 20.186 -2.274 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 9.113 4.343 3.196 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 9.363 4.613 2.306 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 8.223 4.013 3.096 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 9.055 -16.968 7.540 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 9.875 -17.338 7.200 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 8.515 -16.828 6.760 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 -7.343 17.329 -21.201 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 -7.033 17.369 -22.101 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 -7.493 16.389 -21.051 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 6.888 -13.328 -17.179 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 6.648 -12.528 -17.639 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 6.368 -14.018 -17.619 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 21.668 -17.115 14.579 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 21.678 -16.315 15.099 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 22.548 -17.185 14.219 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 -16.847 12.234 12.002 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 -17.417 12.174 11.242 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 -16.147 12.824 11.732 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 -7.733 20.232 -4.530 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 -8.163 20.942 -4.050 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 -7.103 20.672 -5.110 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -12.736 3.243 -3.035 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -12.846 3.622 -3.915 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -13.426 3.642 -2.515 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 15.405 12.982 -10.513 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 15.835 12.682 -9.703 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 15.785 13.842 -10.683 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 1.233 22.564 -0.330 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 1.343 23.244 -1.000 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 2.113 22.224 -0.170 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -21.962 -14.575 -13.274 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 -21.892 -13.925 -13.974 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 -22.412 -14.115 -12.574 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 23.018 4.782 22.871 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 23.118 5.492 22.231 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 22.838 5.222 23.701 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -15.627 6.369 8.496 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -15.547 5.439 8.276 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -16.567 6.549 8.466 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 20.855 14.642 -22.947 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 20.635 14.192 -22.137 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 21.785 14.872 -22.857 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 -5.988 -14.702 17.097 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 -5.498 -14.812 17.907 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 -6.698 -14.092 17.317 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 -21.292 13.216 -23.461 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 -21.422 12.616 -22.721 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 -20.352 13.186 -23.631 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 22.148 -3.772 18.060 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 22.458 -4.172 18.870 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 22.258 -2.832 18.200 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -12.418 15.039 -21.121 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -13.138 15.469 -20.661 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -12.358 14.179 -20.711 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 8.999 -15.792 -20.312 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 9.399 -16.322 -21.002 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 9.669 -15.742 -19.632 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 14.913 -2.810 -6.144 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 15.273 -2.570 -6.994 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 15.103 -2.060 -5.574 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 24.936 -8.671 5.688 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 24.676 -9.231 6.418 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 25.396 -7.941 6.108 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 15.471 -9.558 11.584 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 14.741 -9.787 11.014 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 15.081 -9.068 12.304 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -15.644 9.570 -12.445 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -15.654 10.460 -12.105 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -14.734 9.420 -12.715 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 22.550 -15.809 -3.430 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 22.030 -15.059 -3.700 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 23.370 -15.729 -3.930 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 20.056 -2.155 2.098 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 20.826 -2.395 1.588 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 19.386 -2.775 1.838 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 -20.615 -20.885 4.919 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 -19.755 -21.275 4.749 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 -20.545 -19.985 4.599 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 8.268 4.684 20.999 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 9.008 5.294 20.889 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 8.028 4.434 20.109 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 -5.383 -22.130 -19.706 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 -6.193 -22.110 -20.226 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 -4.753 -21.630 -20.226 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 -8.480 -13.259 17.696 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 -8.920 -12.579 17.176 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 -8.529 -12.949 18.596 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 2.453 21.739 21.337 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 3.283 21.279 21.267 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 1.813 21.059 21.547 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 2.202 -4.848 -22.074 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 1.502 -4.888 -21.414 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 1.842 -4.298 -22.774 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 0.459 -11.836 20.186 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 0.089 -12.166 19.366 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 -0.121 -12.196 20.866 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 -7.892 -11.806 19.976 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 -7.092 -11.756 19.466 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 -7.612 -11.616 20.876 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 -24.108 -20.946 -12.657 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 -24.188 -21.856 -12.347 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 -23.308 -20.936 -13.177 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 -2.038 -0.256 21.647 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 -1.508 -0.986 21.977 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 -1.398 0.424 21.437 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 4.469 16.832 -20.444 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 4.049 16.932 -21.304 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 4.899 17.672 -20.284 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 25.504 -1.222 -6.027 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 24.924 -1.982 -6.037 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 24.964 -0.532 -5.627 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 -23.254 -0.848 -11.427 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 -22.644 -1.438 -10.987 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 -24.124 -1.188 -11.227 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 1.743 -15.869 -4.167 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 2.193 -15.179 -4.647 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 2.383 -16.179 -3.527 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 -20.734 -2.894 -10.904 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 -21.414 -2.724 -11.554 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 -20.554 -2.044 -10.514 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 -23.965 -20.833 -15.878 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 -23.505 -21.503 -15.378 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 -24.715 -20.603 -15.328 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 4.246 -10.522 -5.851 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 5.066 -10.282 -6.301 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 4.376 -10.222 -4.951 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 0.662 17.095 8.186 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 1.552 17.365 8.446 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 0.342 17.795 7.626 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 23.048 -24.901 -19.542 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 23.318 -23.991 -19.452 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 22.288 -24.981 -18.962 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 16.602 13.278 22.659 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 17.302 13.538 23.269 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 16.652 13.928 21.959 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 -1.984 22.737 8.689 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 -2.194 22.057 9.329 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 -1.134 22.477 8.339 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 16.899 18.070 6.049 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 17.369 18.890 5.919 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 17.549 17.460 6.389 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 5.709 7.133 15.669 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 4.889 6.703 15.409 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 6.249 6.423 16.019 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 -19.543 2.504 23.968 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 -19.363 3.444 24.008 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 -20.033 2.394 23.148 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 3.083 -3.690 -14.234 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 2.453 -3.670 -14.954 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 2.733 -3.060 -13.604 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 -10.869 -16.582 -24.221 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 -11.399 -16.262 -23.491 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 -10.380 -17.312 -23.861 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 -8.517 -22.720 -21.544 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 -8.907 -22.980 -22.384 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 -8.947 -21.900 -21.314 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 -5.088 -6.828 -10.754 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 -5.568 -6.748 -11.584 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 -4.198 -6.548 -10.964 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 -14.883 11.052 6.244 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 -14.903 11.982 6.424 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 -15.653 10.902 5.684 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 -2.647 1.726 -16.837 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 -2.987 2.186 -17.617 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 -2.127 2.386 -16.377 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 -15.575 3.182 -7.971 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 -16.215 3.882 -7.821 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 -16.005 2.392 -7.631 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 -24.891 -16.248 15.076 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 -24.321 -16.328 14.306 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 -25.131 -17.148 15.296 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 -20.163 -11.925 -14.487 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 -20.513 -11.605 -13.647 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 -19.243 -11.665 -14.477 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 14.071 10.333 20.341 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 14.991 10.103 20.471 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 13.971 11.183 20.771 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -24.027 19.022 -1.119 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -23.877 18.122 -1.399 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -23.157 19.342 -0.889 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -8.015 -5.537 -8.336 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -8.035 -5.737 -9.266 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -7.425 -4.777 -8.266 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 -12.384 7.898 20.474 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 -13.144 8.488 20.404 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 -12.644 7.118 19.994 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 -17.583 0.508 -18.050 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 -17.373 1.358 -17.680 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 -16.903 0.358 -18.720 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 -10.249 -22.900 20.502 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 -9.829 -23.750 20.622 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 -10.859 -22.830 21.232 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 -0.946 -8.443 1.627 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 -1.856 -8.223 1.447 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 -0.936 -9.393 1.707 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 -9.776 -10.443 -18.613 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 -9.996 -9.963 -19.403 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 -10.616 -10.603 -18.183 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 4.801 14.992 -15.663 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 5.401 15.662 -15.993 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 3.941 15.252 -15.993 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 20.024 -19.760 13.945 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 19.724 -19.660 13.045 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 20.194 -18.860 14.245 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -10.456 12.572 -22.891 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -11.286 12.482 -22.421 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -10.486 11.912 -23.581 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 23.844 5.343 -3.983 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 24.744 5.013 -4.083 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 23.824 6.143 -4.513 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 -22.476 1.972 -21.777 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 -21.586 1.663 -21.907 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 -22.396 2.903 -21.577 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 14.805 -14.090 25.051 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 15.545 -13.980 24.451 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 14.625 -15.030 25.041 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 12.915 -21.006 -20.384 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 12.755 -20.086 -20.174 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 12.035 -21.366 -20.524 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 -0.049 15.249 -7.027 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 0.361 14.809 -6.277 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 -0.889 15.569 -6.697 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 21.816 3.641 -2.730 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 22.596 4.141 -2.990 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 22.156 2.761 -2.550 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 -18.695 -4.636 -10.226 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 -19.325 -3.936 -10.346 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 -19.215 -5.386 -9.936 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -9.473 24.512 -16.934 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -9.513 23.632 -17.314 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -8.663 24.892 -17.274 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 -16.635 -9.598 -19.024 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 -16.305 -9.208 -19.824 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 -16.715 -8.868 -18.404 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 -3.055 17.871 23.209 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 -2.135 17.741 23.449 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 -3.025 18.111 22.279 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 -21.631 -7.485 12.878 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 -22.461 -7.205 12.508 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 -21.051 -6.735 12.768 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 -10.345 -19.255 16.132 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 -10.925 -19.285 16.892 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 -9.915 -18.405 16.182 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 6.845 -2.821 -17.434 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 7.385 -2.251 -16.884 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 7.105 -2.601 -18.334 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 21.666 -24.066 18.776 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 20.816 -24.236 19.176 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 22.276 -24.036 19.516 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -19.529 -10.164 7.938 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -19.930 -9.644 8.628 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -20.249 -10.424 7.368 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 -25.414 -23.652 -25.262 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 -25.104 -23.722 -24.362 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 -24.614 -23.682 -25.792 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 16.386 7.531 11.256 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 17.316 7.761 11.376 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 16.356 6.581 11.366 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 12.517 -7.264 8.826 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 11.737 -6.934 8.386 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 13.167 -6.564 8.726 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 2.423 8.317 -7.050 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 2.653 9.217 -6.820 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 2.713 7.797 -6.300 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -13.224 -5.929 -16.071 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -12.404 -6.119 -16.531 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -13.544 -6.789 -15.801 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 13.548 -10.840 4.363 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 13.888 -10.620 3.493 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 12.978 -10.100 4.583 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 -14.437 14.279 17.718 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 -13.797 14.169 18.428 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 -15.227 14.579 18.148 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 9.894 22.545 -8.347 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 10.464 22.835 -7.637 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 9.274 21.945 -7.927 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 -2.782 15.077 -6.552 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 -2.442 14.187 -6.502 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 -2.762 15.397 -5.652 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 5.167 -17.225 -6.588 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 4.837 -18.115 -6.738 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 4.597 -16.665 -7.118 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 13.486 -12.077 -4.706 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 12.626 -12.477 -4.826 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 14.016 -12.407 -5.436 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 10.657 -14.656 -8.051 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 11.287 -15.016 -7.411 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 10.997 -14.936 -8.901 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -6.659 -7.375 21.581 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -7.169 -6.705 21.121 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -6.589 -7.045 22.471 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -9.947 17.805 -19.648 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -9.647 17.185 -18.988 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -9.177 17.955 -20.208 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 -4.921 15.417 20.339 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 -4.101 15.547 20.819 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 -5.581 15.337 21.019 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 19.402 -3.395 18.666 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 19.772 -2.595 19.036 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 20.142 -3.835 18.246 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 -0.474 8.919 -3.456 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 -1.344 8.569 -3.246 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 -0.344 8.709 -4.376 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 18.642 10.951 1.889 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 19.132 11.601 1.389 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 19.202 10.181 1.889 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -18.246 -6.586 -16.798 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -18.476 -6.856 -17.688 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -19.086 -6.426 -16.358 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 21.659 9.482 -20.828 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 21.509 9.042 -19.998 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 20.959 9.152 -21.398 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -24.233 6.852 -11.144 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -24.643 7.052 -11.984 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -23.443 6.362 -11.364 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 -15.581 -17.634 -3.058 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 -16.511 -17.634 -3.298 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 -15.551 -17.134 -2.238 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -1.612 -21.677 15.406 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -1.082 -22.407 15.086 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -2.512 -21.937 15.216 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 -7.897 -20.719 -17.666 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 -8.747 -20.629 -18.076 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 -7.437 -19.909 -17.876 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 18.737 -4.119 6.502 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 18.627 -3.279 6.052 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 17.897 -4.569 6.372 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 -16.637 10.801 -0.661 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 -16.507 11.751 -0.701 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 -16.947 10.641 0.229 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -1.628 6.592 -5.876 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -0.808 6.102 -5.976 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -2.308 5.992 -6.166 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -4.739 16.982 25.233 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -5.669 17.123 25.403 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -4.429 17.822 24.883 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 12.491 1.757 24.589 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 12.131 0.937 24.249 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 11.971 2.447 24.159 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 12.793 -3.735 -12.537 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 12.023 -3.165 -12.517 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 13.463 -3.255 -12.067 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 11.491 -8.288 18.813 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 11.481 -7.958 19.703 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 10.581 -8.218 18.513 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 -18.779 11.312 8.169 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 -18.319 10.532 7.849 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 -18.189 12.042 7.969 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 10.677 -22.436 23.506 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 11.457 -22.846 23.136 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 9.957 -22.776 22.976 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 -2.303 -0.966 -16.328 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 -2.603 -0.166 -16.758 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 -3.063 -1.536 -16.308 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 16.621 17.862 -17.240 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 15.831 18.102 -17.720 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 16.771 16.942 -17.470 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 25.002 -5.079 -1.436 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 24.422 -5.519 -0.816 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 25.242 -4.259 -1.006 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 14.592 3.391 5.004 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 15.472 3.121 4.744 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 14.622 4.341 5.024 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 16.582 7.811 5.417 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 17.062 8.641 5.407 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 15.942 7.921 6.127 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 6.635 -21.370 3.916 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 6.575 -22.310 4.116 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 7.285 -21.040 4.536 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -0.303 18.268 -23.174 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 0.587 18.148 -22.854 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -0.423 19.208 -23.244 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 16.697 -18.219 23.913 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 16.877 -17.449 24.443 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 15.897 -17.999 23.443 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 0.512 12.352 -0.196 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 -0.008 12.752 0.494 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 1.072 13.062 -0.516 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 5.478 -4.777 9.955 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 5.958 -4.037 9.585 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 5.918 -4.967 10.785 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 16.841 -1.613 2.749 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 15.991 -2.023 2.559 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 17.391 -1.853 1.999 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 17.041 -24.617 4.931 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 17.851 -24.467 5.401 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 17.181 -25.437 4.461 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 -0.049 15.765 23.574 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 -0.229 16.655 23.884 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 0.901 15.685 23.594 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 -7.856 -18.738 -5.999 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 -8.256 -19.608 -6.069 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 -8.176 -18.398 -5.159 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 7.307 13.229 18.011 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 8.257 13.119 18.051 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 6.967 12.329 17.991 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 -10.464 -14.093 13.850 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 -11.034 -13.483 13.390 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 -9.584 -13.863 13.560 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 13.736 18.431 25.073 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 13.816 19.321 24.713 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 12.976 18.061 24.623 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 13.212 9.070 -21.327 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 12.732 9.200 -22.157 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 12.922 9.800 -20.777 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 -19.643 15.885 10.543 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 -18.913 16.305 10.083 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 -19.273 15.585 11.373 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 -16.324 -17.107 8.020 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 -16.604 -16.387 8.580 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 -17.134 -17.397 7.590 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 -7.223 22.465 -21.740 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 -7.193 22.055 -22.600 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 -6.913 21.785 -21.140 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 4.512 -20.215 -12.406 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 4.192 -20.855 -11.766 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 5.282 -19.815 -11.986 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 21.041 -6.683 -22.974 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 20.321 -6.893 -23.574 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 21.801 -7.133 -23.354 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 -22.719 -12.270 7.272 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 -23.529 -12.780 7.292 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 -22.109 -12.800 6.772 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 23.789 -18.816 -4.991 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 24.189 -18.056 -5.411 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 24.519 -19.266 -4.561 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -16.816 -18.567 -5.955 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -16.936 -17.907 -6.645 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -16.346 -18.097 -5.265 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 11.342 -8.161 13.714 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 12.292 -8.071 13.714 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 11.122 -8.341 14.634 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 22.752 5.998 0.026 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 22.712 6.868 0.426 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 22.052 6.008 -0.634 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 5.342 23.135 -19.863 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 5.102 23.995 -19.523 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 4.502 22.695 -20.013 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 -5.414 12.629 0.378 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 -5.674 12.819 1.278 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 -4.874 11.839 0.438 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 2.325 -19.968 -8.897 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 1.505 -20.468 -8.917 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 2.895 -20.428 -9.517 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -16.211 17.487 19.953 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -15.811 18.287 20.283 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -16.901 17.777 19.363 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 2.729 -7.761 -6.695 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 2.819 -8.341 -5.935 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 2.249 -7.001 -6.365 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -5.601 -3.646 -16.290 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -5.291 -4.146 -17.040 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -6.481 -3.986 -16.120 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 3.795 -2.350 -24.891 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 3.075 -1.880 -24.471 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 3.605 -3.270 -24.721 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 7.442 -11.625 -3.465 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 7.652 -12.515 -3.745 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 7.002 -11.735 -2.615 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 -23.700 -18.848 21.636 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 -23.890 -18.818 22.566 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 -24.279 -18.188 21.246 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 9.878 12.496 17.569 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 9.558 12.116 16.749 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 10.448 13.206 17.299 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 17.836 11.524 -17.231 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 17.766 10.594 -17.431 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 18.226 11.914 -18.011 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 -9.152 -13.569 0.277 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 -8.532 -14.299 0.237 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 -9.992 -13.979 0.497 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 -15.773 -19.939 16.199 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 -14.943 -20.159 15.789 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 -15.703 -20.279 17.089 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 -5.135 10.376 14.358 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 -5.965 10.636 14.758 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 -5.125 9.416 14.408 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -20.203 6.792 -23.542 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -19.713 7.612 -23.572 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -20.173 6.532 -22.622 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 23.794 12.369 2.588 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 24.364 11.759 3.038 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 23.014 11.859 2.378 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 12.696 10.919 14.251 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 12.056 11.579 14.521 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 13.366 11.399 13.761 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 -21.766 25.154 12.088 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 -22.436 25.844 12.148 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 -21.796 24.724 12.948 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 -3.186 -1.531 0.069 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 -3.176 -2.161 -0.651 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 -4.016 -1.681 0.509 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 -11.683 21.463 18.004 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 -11.523 20.523 17.924 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 -12.483 21.613 17.494 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 -2.859 1.590 19.830 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 -2.309 2.330 20.100 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 -2.739 0.940 20.530 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 23.693 18.617 23.472 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 24.053 19.447 23.162 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 23.473 18.777 24.392 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 -3.983 -8.547 2.416 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 -3.993 -8.547 3.376 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 -4.183 -9.457 2.176 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 18.187 -19.488 -1.341 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 17.997 -18.588 -1.611 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 19.107 -19.628 -1.601 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 -17.670 -23.401 6.127 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 -18.249 -24.161 6.197 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 -17.199 -23.521 5.307 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 5.806 -20.092 -5.141 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 6.356 -19.342 -4.921 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 5.136 -20.102 -4.451 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 -12.066 16.291 23.647 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 -11.946 15.551 24.247 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 -11.446 16.121 22.937 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 -20.536 10.312 21.640 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 -19.686 9.932 21.870 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 -20.316 11.032 21.050 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 20.541 20.092 8.632 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 19.951 20.742 9.022 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 20.851 19.572 9.382 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 23.049 0.373 -5.799 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 22.739 -0.507 -6.019 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 22.629 0.943 -6.439 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 -9.826 4.189 23.524 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 -9.756 3.299 23.884 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 -10.766 4.359 23.494 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -18.862 -3.379 3.715 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -18.092 -3.449 4.285 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -18.922 -4.229 3.275 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -7.711 8.875 -8.637 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -7.211 8.555 -7.877 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -7.761 8.125 -9.217 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 -0.327 -16.068 -24.402 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 -0.707 -16.448 -25.192 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 -0.607 -15.158 -24.412 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -19.151 -14.230 3.543 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -19.701 -13.540 3.163 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -19.541 -14.410 4.393 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 -0.502 24.682 -23.160 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 -1.412 24.792 -22.860 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 -0.352 25.442 -23.720 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 -23.553 21.492 -4.907 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 -24.193 21.702 -4.227 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 -24.023 21.622 -5.727 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 16.975 0.766 10.146 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 16.805 1.086 11.026 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 17.035 1.556 9.606 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 4.578 14.417 24.604 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 4.238 14.597 25.474 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 4.258 15.137 24.064 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 22.358 -21.860 -10.572 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 22.968 -21.440 -11.182 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 22.558 -21.470 -9.722 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 -1.155 -18.378 -0.600 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 -0.775 -18.678 0.220 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 -1.355 -17.448 -0.440 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 7.577 -23.843 -23.010 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 7.817 -23.273 -23.740 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 8.277 -24.493 -22.970 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -7.264 23.410 -19.087 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -6.434 23.520 -18.617 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -7.094 23.770 -19.967 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 3.036 -4.519 -3.071 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 2.596 -4.999 -3.771 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 2.326 -4.039 -2.631 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 -20.705 20.151 -17.709 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 -21.645 20.141 -17.859 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 -20.585 19.601 -16.929 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 -23.397 17.090 -19.744 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 -23.897 17.900 -19.784 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 -23.817 16.520 -20.394 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 17.322 0.862 21.796 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 16.772 0.072 21.746 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 17.582 1.032 20.896 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -24.259 24.065 9.735 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -24.519 24.875 10.175 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -23.489 24.305 9.225 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 -0.865 21.239 15.939 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 -0.765 20.289 15.969 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 -1.645 21.419 16.469 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 1.603 -9.077 21.093 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 0.953 -8.377 21.133 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 1.093 -9.867 20.943 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -8.069 -3.883 13.745 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -8.099 -3.503 14.615 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -7.159 -3.743 13.455 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 -0.954 14.953 -19.542 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 -1.444 14.243 -19.952 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 -1.504 15.203 -18.792 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 -8.673 -16.168 18.250 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 -9.033 -16.468 17.420 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 -8.523 -15.228 18.130 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 7.859 -2.485 -7.069 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 7.809 -2.185 -7.979 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 6.959 -2.435 -6.749 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 -9.841 -2.698 -8.621 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 -9.461 -2.008 -9.161 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 -9.361 -3.488 -8.871 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 4.046 -21.805 2.381 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 3.336 -21.385 2.881 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 4.706 -22.015 3.041 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 -8.695 -8.918 16.533 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 -8.545 -7.978 16.473 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 -8.105 -9.218 17.223 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 1.686 22.845 23.929 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 2.486 22.455 23.559 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 1.386 23.455 23.249 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 -4.624 2.022 -11.944 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 -4.934 2.372 -12.794 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 -4.174 2.762 -11.544 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 5.256 -8.499 -25.512 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 5.866 -7.839 -25.172 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 5.036 -9.029 -24.742 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 4.518 -10.206 7.641 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 4.508 -11.096 7.291 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 5.278 -10.176 8.221 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -4.541 3.322 -14.239 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -4.061 2.662 -14.739 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -4.541 4.092 -14.809 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 0.797 15.422 5.623 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 1.437 14.802 5.993 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 0.367 14.932 4.933 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 3.519 -15.468 16.264 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 2.629 -15.378 15.924 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 3.469 -16.218 16.864 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 5.773 -18.115 -19.596 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 6.083 -18.615 -18.836 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 4.933 -18.505 -19.816 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 13.805 -7.282 22.583 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 13.245 -6.612 22.183 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 14.335 -7.612 21.853 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 20.552 -2.708 -16.179 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 21.482 -2.898 -16.079 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 20.122 -3.558 -16.099 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 -14.704 24.357 12.293 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 -13.824 24.117 12.573 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 -15.254 24.177 13.053 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 6.115 12.407 -4.617 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 6.905 12.347 -4.087 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 6.355 12.947 -5.367 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 -16.141 13.804 -0.417 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 -15.261 14.114 -0.187 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 -16.641 13.864 0.393 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 14.724 25.028 -1.942 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 15.524 24.508 -2.022 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 14.494 24.988 -1.012 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 10.521 -14.528 24.688 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 11.331 -15.038 24.758 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 10.541 -13.928 25.428 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 -20.568 3.550 1.429 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 -20.968 2.690 1.329 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 -19.998 3.460 2.199 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 15.775 -11.476 2.419 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 16.115 -10.646 2.769 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 16.415 -11.726 1.749 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 10.811 9.442 12.203 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 11.541 9.592 11.603 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 10.471 10.322 12.383 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 -11.656 -24.478 -15.222 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 -11.076 -25.068 -15.702 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 -12.506 -24.588 -15.642 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 9.665 -4.278 -14.933 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 10.535 -3.888 -14.893 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 9.825 -5.217 -14.963 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 -3.453 -2.458 -19.229 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 -3.753 -2.088 -20.059 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 -2.853 -1.808 -18.869 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 -2.254 8.312 12.240 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 -2.454 9.012 11.630 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 -1.354 8.462 12.500 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 -12.394 20.351 -5.540 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 -12.264 20.691 -4.660 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 -11.654 20.701 -6.040 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 21.572 0.897 -15.287 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 21.562 1.857 -15.247 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 22.502 0.667 -15.317 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 -22.881 -24.394 5.817 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 -22.871 -25.344 5.957 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 -23.741 -24.114 6.137 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 14.331 8.042 -14.796 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 14.801 8.872 -14.906 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 14.951 7.372 -15.096 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 -19.351 -24.417 -8.024 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 -18.821 -24.767 -8.754 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 -19.901 -25.157 -7.764 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 -0.166 -8.175 -7.631 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 -0.326 -8.635 -8.451 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 0.784 -8.095 -7.571 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 12.228 -22.331 -13.656 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 11.308 -22.521 -13.826 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 12.578 -23.131 -13.276 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 -21.571 22.183 3.704 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 -22.101 22.143 4.504 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 -22.201 22.303 2.994 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 -23.789 -17.008 -14.059 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 -22.889 -16.918 -14.379 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 -23.839 -16.398 -13.329 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 24.895 -10.969 12.880 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 25.835 -11.049 13.070 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 24.845 -11.019 11.920 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 19.180 -9.635 22.500 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 18.941 -9.365 23.380 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 18.361 -9.865 22.080 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 -8.034 19.785 -19.717 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 -7.474 19.005 -19.697 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 -7.974 20.135 -18.827 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 -20.364 9.175 -8.222 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 -20.704 9.995 -7.882 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 -19.594 8.985 -7.672 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 -8.452 12.672 -14.854 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 -8.102 12.922 -15.704 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 -8.292 13.422 -14.284 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 -24.481 17.544 20.496 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 -24.901 16.824 20.026 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 -24.631 18.314 19.936 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 -10.992 19.817 -18.404 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 -10.722 19.007 -18.834 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 -10.432 19.887 -17.634 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 4.602 10.500 -3.219 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 5.192 10.930 -3.829 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 5.182 10.010 -2.629 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 -4.856 -10.814 14.735 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 -4.006 -10.484 15.025 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 -4.796 -11.764 14.835 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 -0.763 2.303 17.311 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 -0.823 2.283 16.351 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 -1.553 1.863 17.621 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 -24.003 -7.252 -12.537 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 -24.123 -8.022 -11.977 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 -23.513 -7.572 -13.287 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 -20.745 12.341 11.810 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 -21.665 12.201 11.590 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 -20.415 11.471 12.020 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 -2.309 10.527 10.181 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 -2.349 11.227 9.521 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 -1.559 10.767 10.731 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -3.343 19.186 -16.717 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -3.593 19.926 -17.277 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -4.073 19.096 -16.097 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 6.534 1.223 -1.757 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 6.314 2.133 -1.937 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 6.054 0.723 -2.417 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 16.197 -6.537 6.409 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 16.827 -7.257 6.349 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 15.797 -6.487 5.539 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 -2.855 -21.588 -15.690 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 -2.085 -21.298 -16.170 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 -3.445 -21.938 -16.360 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 13.375 10.332 -0.167 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 13.285 11.122 0.363 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 12.895 9.662 0.313 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 -14.383 -3.439 23.445 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 -13.843 -4.219 23.265 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 -14.843 -3.649 24.255 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 19.042 -14.842 -12.134 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 19.352 -15.702 -11.834 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 19.802 -14.452 -12.554 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -21.173 0.714 9.785 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -21.123 1.664 9.665 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -20.803 0.344 8.985 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 10.303 21.016 4.118 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 10.023 20.836 5.018 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 11.093 20.496 4.008 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 13.717 21.888 -7.668 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 13.477 21.698 -8.578 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 13.267 22.718 -7.478 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 10.824 2.362 7.162 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 11.644 2.282 6.672 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 11.094 2.452 8.072 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 21.035 3.797 -14.352 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 20.915 4.557 -13.782 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 20.235 3.287 -14.252 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 19.229 -24.897 2.089 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 19.829 -24.357 1.579 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 18.569 -25.177 1.449 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 -13.524 13.557 3.383 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 -13.444 12.707 2.963 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 -13.564 14.177 2.653 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 -14.311 -17.045 -11.660 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 -13.741 -16.665 -12.330 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 -15.161 -17.125 -12.090 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 22.671 -24.822 22.676 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 21.931 -25.362 22.966 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 23.281 -24.842 23.406 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 12.243 1.245 -3.293 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 13.013 0.705 -3.433 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 12.183 1.805 -4.063 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 -10.011 -3.505 -2.205 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 -10.071 -3.795 -3.115 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 -10.611 -4.095 -1.735 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 6.109 -7.314 -10.671 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 5.439 -6.684 -10.921 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 5.679 -8.164 -10.751 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 -19.531 21.026 22.170 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 -18.671 20.656 22.350 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 -19.641 21.706 22.840 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 -24.306 3.191 24.985 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 -24.756 2.451 25.395 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 -24.946 3.561 24.385 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 -15.184 -20.508 -17.586 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 -16.124 -20.458 -17.416 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 -15.114 -20.838 -18.486 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 -14.302 -0.818 -18.037 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 -14.742 -0.278 -17.377 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 -14.892 -0.798 -18.797 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 16.714 21.397 11.103 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 16.734 21.147 10.183 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 17.594 21.727 11.283 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 19.966 22.907 19.848 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 20.406 23.407 20.538 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 19.536 22.187 20.308 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 24.997 -15.741 -19.911 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 24.647 -15.361 -19.101 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 25.717 -16.301 -19.611 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 -0.208 22.368 12.847 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 -0.688 21.628 13.217 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 -0.008 22.928 13.597 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 -17.833 10.151 2.132 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 -18.193 11.031 2.072 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 -18.343 9.641 1.492 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 3.193 25.576 15.579 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 2.723 24.966 14.999 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 3.023 25.246 16.459 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 2.251 -3.115 -17.854 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 1.911 -4.005 -17.784 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 3.201 -3.225 -17.814 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 7.299 15.517 16.320 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 7.389 14.737 16.870 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 8.169 15.907 16.310 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 -12.928 4.906 16.613 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 -13.018 5.366 15.783 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 -12.308 4.206 16.443 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 -24.162 12.022 -25.095 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 -23.782 12.772 -25.555 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 -24.542 12.402 -24.305 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 -13.452 17.780 -5.981 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 -13.612 17.750 -6.921 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 -13.192 18.690 -5.811 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -4.033 -0.061 -8.727 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -3.693 0.809 -8.937 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -3.883 -0.571 -9.527 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -9.732 -16.874 -12.248 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -9.652 -17.554 -12.918 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -10.342 -17.244 -11.608 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 -18.701 5.122 24.612 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 -17.821 5.492 24.552 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 -19.171 5.702 25.212 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 24.103 6.341 -12.857 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 24.783 5.721 -13.117 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 23.583 6.471 -13.657 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 25.105 14.484 -17.217 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 24.355 14.814 -16.717 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 25.795 15.124 -17.067 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 -0.712 -3.011 -4.570 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 -1.002 -3.821 -4.980 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 -1.402 -2.371 -4.790 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 -8.183 -21.720 15.984 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 -8.863 -21.310 15.454 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 -8.573 -21.810 16.854 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 10.267 -13.941 -14.106 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 10.177 -14.541 -13.376 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 9.727 -14.321 -14.796 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -6.936 1.749 17.906 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -7.326 1.149 18.546 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -7.646 2.339 17.666 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 4.803 9.971 -6.076 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 4.433 9.491 -5.346 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 4.493 10.871 -5.966 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 16.142 16.022 -0.359 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 15.562 15.262 -0.269 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 15.592 16.702 -0.739 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 -24.455 10.335 -0.850 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 -24.065 9.855 -0.130 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 -23.715 10.775 -1.280 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 24.798 7.807 2.106 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 24.688 6.917 2.436 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 24.868 8.347 2.886 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 -11.566 18.158 -0.600 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 -11.056 17.958 0.180 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 -12.416 18.448 -0.260 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 22.786 -3.053 8.349 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 21.986 -2.523 8.409 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 23.216 -2.753 7.549 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 20.640 13.764 -14.274 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 20.080 12.994 -14.384 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 20.721 13.864 -13.324 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 16.415 -6.812 18.866 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 16.755 -6.522 18.016 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 16.735 -6.142 19.486 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 -3.163 -13.143 -8.498 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 -2.393 -13.713 -8.538 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 -3.873 -13.673 -8.868 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 17.997 -7.089 14.281 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 17.927 -6.389 14.931 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 18.407 -7.819 14.751 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 2.408 -7.893 0.752 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 2.798 -7.183 0.252 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 1.498 -7.633 0.872 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 24.342 -5.608 21.186 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 24.532 -5.868 22.086 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 25.172 -5.268 20.846 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 16.285 5.626 -20.077 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 16.315 6.426 -19.547 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 16.765 5.856 -20.867 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 -16.903 12.770 -17.281 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 -16.443 13.130 -16.521 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 -17.273 13.530 -17.721 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 22.779 -15.751 -24.415 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 22.649 -16.571 -23.935 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 22.729 -15.991 -25.335 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 -8.681 18.410 21.696 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 -7.801 18.210 21.376 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 -9.041 19.020 21.056 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -18.205 -22.258 -6.631 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -17.755 -22.868 -6.041 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -18.915 -22.768 -7.021 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 20.911 -17.893 10.088 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 20.840 -17.333 9.318 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 20.851 -18.783 9.738 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 13.150 13.781 12.784 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 13.061 14.591 13.284 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 12.460 13.831 12.124 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 1.161 -17.276 -19.120 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 1.861 -16.646 -18.960 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 0.430 -16.736 -19.460 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 5.268 23.934 -1.591 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 5.428 23.164 -2.131 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 4.358 23.854 -1.311 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 -0.848 -6.477 -14.847 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 -0.278 -7.177 -14.517 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 -0.248 -5.767 -15.087 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 9.752 -4.933 2.949 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 9.262 -5.003 2.129 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 10.102 -4.043 2.949 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 23.212 -7.302 -9.774 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 23.842 -6.602 -9.954 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 22.542 -6.882 -9.224 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 -23.417 24.264 17.663 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 -23.567 23.754 16.863 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 -24.277 24.314 18.083 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 24.363 -0.533 -14.770 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 23.963 -0.113 -14.010 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 23.833 -1.323 -14.910 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 20.517 21.857 -13.401 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 20.227 22.137 -14.271 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 20.307 20.927 -13.371 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -3.847 -7.384 9.890 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -3.837 -8.304 10.140 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -3.027 -7.254 9.420 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 23.599 20.656 -1.245 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 24.309 20.026 -1.315 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 23.279 20.546 -0.345 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 -17.555 -17.058 16.903 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 -17.545 -16.487 17.673 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 -16.655 -17.037 16.573 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 -21.514 -20.935 -9.973 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 -20.754 -21.515 -10.073 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 -21.334 -20.445 -9.173 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 -16.991 5.690 -15.690 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 -16.491 5.980 -14.930 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 -16.731 4.780 -15.820 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 -23.991 6.477 -18.522 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 -23.941 6.977 -19.332 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 -24.721 5.867 -18.662 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 13.624 4.091 -24.347 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 14.314 4.081 -24.997 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 13.124 3.291 -24.507 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 -19.292 4.213 -22.250 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 -19.332 3.303 -21.980 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 -19.972 4.303 -22.920 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 18.581 15.393 22.907 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 18.001 15.823 23.537 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 18.791 16.073 22.267 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 -15.473 -5.694 10.167 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 -15.263 -4.904 10.667 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 -15.393 -5.424 9.247 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 20.054 -4.747 -14.109 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 19.894 -5.437 -14.749 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 20.084 -5.207 -13.269 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -1.014 25.072 9.899 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -1.434 24.322 9.489 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -0.114 24.782 10.069 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 11.409 -0.624 -7.691 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 11.969 -1.114 -7.091 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 11.409 -1.134 -8.501 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -4.133 -17.699 11.364 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -3.513 -16.969 11.424 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -3.593 -18.479 11.424 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 18.053 -11.502 -7.112 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 17.833 -11.452 -8.052 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 17.763 -12.382 -6.852 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 12.367 8.486 -2.348 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 12.217 7.726 -1.788 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 11.727 9.136 -2.048 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 23.077 -11.821 -9.120 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 23.387 -11.291 -9.860 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 22.387 -11.301 -8.730 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 24.432 2.354 -14.540 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 24.982 1.634 -14.240 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 23.762 2.444 -13.860 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 2.982 -4.503 2.276 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 3.152 -3.553 2.286 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 3.772 -4.883 1.906 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 -19.983 18.413 24.020 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 -19.783 17.473 23.960 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 -20.643 18.553 23.350 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 10.059 23.733 23.187 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 10.579 23.793 22.377 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 9.209 24.103 22.947 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 23.652 -20.818 23.919 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 23.912 -21.738 23.839 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 24.462 -20.318 23.789 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 -18.117 19.915 13.034 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 -17.887 19.235 12.404 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 -17.277 20.155 13.434 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 4.308 22.106 6.697 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 3.758 22.876 6.537 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 5.128 22.296 6.247 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 -2.886 20.916 0.239 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 -3.576 21.156 -0.371 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -2.966 19.966 0.329 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 -0.674 5.897 20.879 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 -1.244 5.537 20.199 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 -0.254 6.657 20.469 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 0.907 6.006 -6.664 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 1.117 5.076 -6.794 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 1.417 6.456 -7.334 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -7.094 5.333 8.988 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -6.364 5.933 8.838 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -7.184 4.853 8.168 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 -16.350 22.087 -17.018 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 -17.040 22.497 -16.498 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 -16.399 21.157 -16.788 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 15.173 23.228 23.907 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 14.503 23.208 24.587 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 15.563 24.098 23.977 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 12.780 -22.613 4.463 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 12.380 -23.213 5.093 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 12.250 -22.713 3.673 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -19.004 -12.907 -22.747 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -19.034 -12.277 -23.457 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -18.854 -13.747 -23.177 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 -12.313 -4.137 -5.957 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 -11.393 -4.407 -6.027 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 -12.723 -4.467 -6.757 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 -21.603 -12.998 -21.166 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 -21.143 -13.658 -21.676 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 -20.913 -12.418 -20.856 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 16.783 -3.062 17.347 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 17.713 -3.252 17.507 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 16.713 -3.052 16.387 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 5.795 0.662 -13.794 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 5.475 1.242 -14.484 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 5.365 0.982 -13.004 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -12.941 -11.888 -9.071 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -12.461 -11.448 -9.771 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -12.281 -12.108 -8.421 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 10.358 -2.109 -0.924 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 9.658 -1.769 -1.474 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 10.648 -2.919 -1.364 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 -14.732 16.532 23.052 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 -13.812 16.402 23.292 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 -14.732 16.512 22.092 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 -16.124 -3.432 0.895 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 -15.384 -3.762 0.395 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 -15.894 -3.612 1.805 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 -10.721 -20.788 22.976 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 -10.061 -21.358 23.376 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 -10.231 -20.148 22.466 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -22.241 15.421 -8.135 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -21.531 14.811 -7.955 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -22.211 16.051 -7.415 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 2.033 -9.282 18.384 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 1.473 -9.682 17.724 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 1.963 -9.852 19.154 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 14.473 8.382 -11.347 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 13.853 7.702 -11.087 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 14.723 8.142 -12.247 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 -13.792 -21.626 15.589 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 -14.082 -22.496 15.309 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 -13.392 -21.776 16.449 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 7.653 13.910 -16.225 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 7.553 14.750 -16.685 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 6.853 13.830 -15.705 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 -11.468 -3.558 25.380 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 -11.578 -2.828 24.760 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 -11.228 -4.308 24.840 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -21.481 18.437 -15.710 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -21.901 17.617 -15.980 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -22.021 18.747 -14.980 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 -0.705 -22.653 -23.301 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 -0.825 -21.773 -22.941 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 -0.655 -22.533 -24.241 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 13.308 -12.518 -18.100 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 13.958 -11.968 -18.550 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 12.488 -12.038 -18.190 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 -23.976 0.684 -13.604 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 -23.946 0.064 -14.324 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 -24.026 0.134 -12.814 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 -4.046 3.306 24.741 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 -3.286 3.756 25.101 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 -4.106 3.616 23.831 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 -1.477 -7.079 -3.551 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 -2.017 -7.149 -2.761 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 -2.087 -7.209 -4.271 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 21.966 -1.396 -10.848 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 21.786 -1.726 -11.728 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 21.206 -1.666 -10.328 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 -13.288 19.018 23.471 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 -12.708 18.258 23.471 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 -12.738 19.748 23.211 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 -4.732 15.739 -8.193 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 -3.972 15.599 -7.633 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 -4.742 14.969 -8.773 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 7.539 21.298 2.506 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 8.139 20.608 2.806 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 8.079 22.078 2.466 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 -10.397 8.077 -9.631 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 -9.667 8.437 -9.121 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 -11.007 8.817 -9.731 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 9.428 21.087 -15.282 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 8.488 21.137 -15.102 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 9.818 21.667 -14.622 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 -20.315 14.986 5.296 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 -19.685 15.546 5.746 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 -21.135 15.096 5.786 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 -4.835 21.210 -8.340 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 -4.905 21.420 -7.410 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 -5.555 20.600 -8.500 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 6.056 -0.678 4.192 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 5.406 -0.378 4.832 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 6.536 -1.368 4.642 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 10.353 22.933 -18.306 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 11.173 22.443 -18.266 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 9.733 22.333 -18.706 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 -15.938 -7.585 16.209 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 -15.158 -7.185 15.819 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 -16.258 -8.185 15.529 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 12.642 14.003 -10.512 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 13.572 13.843 -10.362 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 12.532 14.943 -10.342 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 -8.899 13.842 9.247 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 -8.419 13.062 9.537 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 -9.659 13.492 8.777 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 6.344 -4.238 -8.477 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 6.484 -4.198 -7.537 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 6.224 -3.328 -8.747 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 3.735 10.122 22.192 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 3.535 10.372 23.092 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 4.015 10.932 21.772 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -4.658 -17.770 18.082 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -5.268 -17.040 17.952 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -4.978 -18.210 18.872 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 -11.817 24.638 -20.654 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 -12.447 24.908 -19.984 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 -11.317 23.928 -20.244 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 -14.004 -17.874 -24.197 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 -13.424 -17.134 -24.347 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 -14.004 -17.994 -23.247 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 -6.513 7.687 11.331 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 -6.353 8.617 11.461 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 -5.753 7.257 11.731 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 -3.244 9.972 -4.082 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 -3.934 9.542 -3.582 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 -3.304 10.892 -3.842 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 -16.913 8.960 21.557 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 -16.383 8.310 22.027 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 -17.253 9.530 22.247 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 -4.181 22.284 -20.853 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 -3.531 22.974 -20.983 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 -5.011 22.704 -21.063 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -23.525 7.125 -21.244 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -23.835 7.465 -22.084 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -22.895 6.445 -21.484 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 -0.052 -3.880 -11.991 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 0.328 -4.530 -11.411 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 0.118 -3.040 -11.561 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 -20.118 -12.051 12.087 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 -19.938 -11.211 11.667 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 -20.688 -12.511 11.467 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 -23.994 -9.466 24.922 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 -24.644 -9.746 25.572 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 -23.374 -10.196 24.882 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 11.572 23.470 -6.151 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 11.932 24.310 -6.461 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 12.002 23.320 -5.311 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -9.478 -6.101 -0.457 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -10.288 -5.641 -0.237 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -9.288 -6.631 0.323 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 -19.494 -18.881 -0.934 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 -20.314 -19.261 -0.614 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 -19.094 -18.481 -0.174 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -12.192 1.346 -5.136 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -12.292 1.556 -6.066 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -12.992 1.666 -4.726 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 18.317 -21.191 0.741 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 18.257 -20.531 0.041 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 17.797 -21.931 0.421 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 14.021 23.017 -23.959 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 13.291 22.467 -23.699 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 14.681 22.877 -23.279 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 17.298 -7.487 -22.922 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 17.988 -7.127 -23.492 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 17.718 -8.217 -22.462 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 -9.656 15.601 11.155 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 -8.836 15.331 10.735 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 -9.726 16.531 10.965 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 14.807 24.072 -4.624 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 14.507 24.412 -5.464 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 14.667 24.792 -4.004 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -16.035 -2.038 -2.011 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -16.295 -2.848 -2.441 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -15.365 -1.658 -2.591 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 -21.566 4.554 -7.647 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 -22.406 4.504 -8.117 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 -21.586 3.814 -7.037 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 -18.668 3.686 4.059 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 -19.318 2.996 4.159 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 -17.968 3.286 3.539 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 -0.669 21.032 5.903 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 -0.189 21.862 5.933 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 -0.749 20.832 4.973 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 3.531 14.297 -8.616 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 2.851 13.977 -8.026 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 3.061 14.767 -9.306 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 5.063 0.199 24.596 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 4.363 0.389 25.226 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 4.983 -0.741 24.436 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 18.135 -8.585 -5.499 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 18.195 -7.965 -6.219 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 17.435 -9.185 -5.759 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -7.403 -20.161 23.060 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -7.993 -19.601 23.560 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -7.513 -21.031 23.450 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -18.237 3.982 -4.338 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -18.637 4.162 -3.488 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -17.567 3.332 -4.158 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 22.508 -13.631 0.712 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 23.068 -14.011 0.052 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 22.308 -14.351 1.312 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -7.005 15.570 21.845 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -6.905 15.130 22.685 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -7.935 15.470 21.635 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 -1.949 -1.044 -10.311 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 -1.420 -0.254 -10.321 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 -2.309 -1.104 -11.191 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -23.968 -21.437 5.368 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -23.548 -21.017 4.628 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 -23.458 -22.237 5.528 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 -12.111 -7.008 -10.157 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 -12.941 -7.248 -10.577 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 -11.661 -6.468 -10.807 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 25.318 19.433 -19.715 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 25.748 20.283 -19.835 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 24.668 19.393 -20.425 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 13.501 -0.040 -0.518 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 12.821 0.130 -1.168 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 14.141 0.660 -0.648 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 7.668 -8.670 -3.237 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 7.018 -9.330 -3.477 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 7.998 -8.350 -4.077 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 -19.668 -21.582 24.439 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 -19.518 -22.502 24.649 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 -19.898 -21.582 23.509 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 11.436 18.732 -11.518 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 11.716 18.782 -10.608 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 11.806 19.522 -11.918 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 -3.275 -5.168 7.926 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 -2.855 -5.818 7.366 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 -2.625 -4.468 8.016 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 -11.018 -21.360 -8.663 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 -10.718 -21.740 -7.833 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 -11.518 -20.590 -8.403 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 1.221 -5.546 -18.980 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 0.861 -6.416 -18.820 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 0.460 -5.026 -19.270 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 5.321 3.803 -0.671 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 5.731 4.443 -1.251 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 4.381 3.873 -0.861 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 -12.655 10.092 12.049 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 -13.205 9.332 11.889 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 -12.255 9.932 12.909 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -1.591 23.867 4.515 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -2.101 23.297 3.935 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -2.241 24.197 5.145 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -23.623 11.528 12.288 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -23.683 12.288 11.708 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 -24.513 11.418 12.618 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 3.868 4.323 15.301 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 3.228 4.993 15.071 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 3.448 3.813 15.991 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 13.004 12.981 3.130 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 13.824 12.671 3.500 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 13.214 13.831 2.750 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -15.463 -12.528 13.362 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -14.673 -12.008 13.252 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -16.173 -11.878 13.352 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 13.932 8.367 12.793 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 14.822 8.137 12.533 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 13.442 8.367 11.963 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -8.802 -16.618 -4.491 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -8.642 -15.698 -4.711 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -9.602 -16.618 -3.961 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 20.012 -12.770 10.648 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 20.812 -13.220 10.908 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 19.882 -13.020 9.728 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 14.182 -4.123 3.991 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 13.592 -4.383 4.701 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 14.692 -3.403 4.351 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 -0.713 11.062 -16.874 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 -0.993 10.422 -16.214 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 -0.643 11.882 -16.394 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 9.956 19.391 -23.331 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 9.636 19.601 -24.211 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 9.236 19.621 -22.751 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 10.167 15.722 -11.788 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 10.867 15.402 -12.358 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 10.587 16.402 -11.258 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 -22.249 5.951 17.153 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 -22.209 6.701 16.563 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 -21.699 6.211 17.893 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -14.276 12.260 -9.515 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -14.666 11.820 -8.755 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -14.836 12.010 -10.245 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 -12.118 18.292 -15.648 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 -11.248 17.922 -15.528 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 -12.598 17.632 -16.148 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 18.985 7.681 11.074 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 19.375 7.031 10.484 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 19.325 8.521 10.754 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 -14.635 -20.578 8.159 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 -14.565 -19.908 7.489 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 -14.255 -21.358 7.769 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 -7.926 -11.028 -10.408 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 -7.416 -10.298 -10.058 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 -7.276 -11.658 -10.708 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 2.715 0.312 22.928 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 2.595 -0.438 22.338 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 2.935 -0.068 23.768 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 16.467 -9.298 -18.545 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 17.137 -8.808 -18.065 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 16.967 -9.938 -19.055 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 20.009 18.458 2.396 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 20.739 18.378 3.006 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 20.349 19.018 1.696 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 -17.468 -2.584 14.135 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 -17.488 -2.204 15.005 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 -17.638 -3.514 14.275 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 13.323 7.906 18.378 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 12.763 8.516 18.858 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 13.623 8.406 17.618 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 10.449 3.103 -15.481 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 10.349 3.493 -16.351 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 11.369 2.843 -15.431 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 -20.896 -3.788 -24.154 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 -21.646 -4.068 -23.634 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 -21.116 -4.058 -25.044 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 -19.669 -0.966 -5.260 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 -20.019 -0.256 -5.810 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 -20.409 -1.576 -5.170 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 -12.223 14.127 9.722 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 -12.303 13.767 10.612 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 -11.293 14.357 9.642 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 -14.927 -5.070 -7.067 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 -15.147 -5.090 -6.137 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 -14.597 -5.950 -7.257 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -24.475 20.680 22.054 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -24.335 21.030 21.174 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -23.675 20.200 22.254 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 24.569 -7.143 3.427 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 24.479 -7.973 3.887 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 23.759 -7.053 2.927 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 -8.755 6.582 -24.531 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 -8.785 5.932 -25.231 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 -9.035 7.392 -24.951 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 -1.314 -11.808 17.736 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 -0.834 -11.578 16.946 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 -2.194 -11.448 17.596 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 -14.608 7.724 12.414 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 -15.068 7.004 11.974 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 -15.118 8.504 12.204 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 17.265 11.094 15.897 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 16.905 11.404 15.067 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 18.185 10.904 15.717 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 -7.638 22.542 -15.629 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 -6.768 22.802 -15.919 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 -8.208 23.262 -15.889 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -5.813 -2.031 13.940 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -6.363 -1.341 14.320 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -5.503 -2.531 14.700 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 -3.043 4.773 -18.053 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 -3.923 5.133 -18.123 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 -3.003 4.093 -18.723 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -22.088 4.841 -11.038 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -21.818 4.461 -11.868 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -22.698 4.211 -10.668 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 -16.873 18.262 24.745 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 -17.793 18.112 24.545 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 -16.443 17.422 24.585 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -18.818 -13.498 -10.387 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -19.278 -13.348 -9.557 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -19.368 -13.078 -11.047 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 -17.655 17.301 9.005 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 -17.535 18.051 9.585 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 -17.735 17.681 8.135 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 -11.368 -21.399 4.355 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 -11.478 -21.319 5.305 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 -12.078 -21.979 4.085 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 23.356 5.941 5.405 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 23.726 5.671 4.555 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 24.096 5.861 6.015 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 -18.974 -5.558 15.763 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 -19.774 -5.368 15.283 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 -19.274 -5.918 16.603 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 -22.905 9.651 -4.925 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 -22.695 10.351 -4.305 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 -22.235 8.981 -4.765 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 21.197 -7.121 14.537 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 20.357 -6.761 14.827 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 21.777 -6.991 15.287 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 -7.759 5.315 13.207 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 -7.570 6.205 13.507 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 -7.570 4.775 13.977 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 -18.865 16.861 0.249 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 -18.805 16.731 1.189 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 -18.895 15.971 -0.121 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 18.887 23.721 -22.898 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 19.707 23.391 -22.538 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 18.887 24.651 -22.688 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 23.423 15.162 -11.074 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 23.843 16.022 -11.164 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 23.833 14.772 -10.304 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 4.533 -18.870 15.442 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 3.743 -18.330 15.392 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 4.213 -19.730 15.732 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 23.845 10.311 -4.434 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 24.245 11.051 -3.994 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 24.505 9.621 -4.404 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 -3.239 21.990 5.745 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 -3.149 21.700 4.845 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 -2.819 21.300 6.265 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 -21.007 13.147 7.889 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 -20.497 12.577 8.469 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 -20.577 13.067 7.039 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 10.571 -18.611 -3.424 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 11.501 -18.621 -3.224 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 10.141 -18.671 -2.574 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 10.705 5.732 6.996 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 9.785 5.602 7.206 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 10.915 6.592 7.356 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 4.385 -24.302 7.036 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 3.845 -25.092 6.996 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 4.685 -24.272 7.946 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 7.876 -7.824 -8.116 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 7.286 -7.474 -7.446 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 7.626 -7.364 -8.916 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 18.763 5.512 -2.988 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 18.583 5.962 -3.808 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 17.903 5.212 -2.678 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -5.824 -14.474 25.092 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -5.814 -14.624 24.152 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -6.614 -14.924 25.402 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 -3.863 -10.543 18.043 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 -4.393 -10.193 18.763 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 -3.303 -9.813 17.783 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -13.115 23.971 -22.829 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -12.495 24.311 -22.179 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -12.805 23.091 -23.019 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 -23.288 19.017 -6.211 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 -23.908 18.487 -5.711 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 -23.088 19.757 -5.641 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -16.562 6.054 -7.731 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -17.082 5.994 -8.541 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -15.652 6.014 -8.031 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -4.723 0.311 -21.951 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -5.393 0.261 -21.271 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -3.933 0.611 -21.491 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 13.024 2.046 -14.827 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 13.214 1.196 -15.227 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 13.574 2.666 -15.297 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 24.131 2.139 -17.480 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 24.141 2.229 -16.530 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 23.391 1.559 -17.660 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 -3.141 13.503 -12.202 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 -3.181 13.393 -11.252 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 -2.401 12.973 -12.472 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 -9.122 3.336 0.157 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 -8.642 3.556 -0.643 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 -9.972 3.036 -0.153 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 -0.932 -9.265 -18.395 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 -1.192 -8.335 -18.355 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 -1.692 -9.705 -18.765 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -0.955 9.010 14.994 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -1.525 8.310 15.314 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -1.525 9.540 14.424 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 19.177 20.883 21.652 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 19.317 20.663 22.572 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 18.317 21.303 21.632 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -2.922 2.484 -1.512 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -2.242 2.044 -1.012 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -3.622 2.654 -0.892 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -3.232 24.722 -21.671 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -4.172 24.572 -21.561 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -3.052 25.522 -21.181 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 -10.809 7.487 -22.906 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 -11.439 6.917 -23.356 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 -9.969 7.267 -23.306 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -21.639 2.269 -13.200 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 -21.949 3.099 -13.550 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 -22.309 1.629 -13.480 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -5.678 8.150 -0.448 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -5.858 7.230 -0.618 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -4.748 8.260 -0.628 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 -18.155 6.326 -18.415 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 -17.855 5.686 -17.765 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 -19.105 6.336 -18.315 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 13.972 -13.606 3.480 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 13.492 -12.846 3.810 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 13.942 -13.506 2.530 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 -5.834 0.852 -6.288 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 -5.904 -0.058 -6.588 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 -6.504 0.932 -5.618 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -21.574 23.330 8.084 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -22.274 22.950 7.554 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -21.154 23.980 7.524 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 -24.074 -3.518 -8.674 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 -24.374 -4.248 -8.124 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -23.124 -3.538 -8.574 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 12.826 -8.597 -6.540 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 13.266 -8.547 -7.390 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 12.756 -7.687 -6.250 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 25.225 16.628 -2.096 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 24.405 17.128 -2.126 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 25.245 16.258 -1.216 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 -19.779 -13.277 -7.626 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 -20.549 -13.187 -7.066 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 -19.039 -13.287 -7.026 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 -8.002 12.744 12.039 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 -7.742 12.144 11.349 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 -8.082 12.194 12.819 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 0.047 -21.408 20.541 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 0.317 -20.778 21.201 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 0.817 -21.518 19.981 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 -20.396 7.914 -4.258 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 -19.866 7.154 -4.468 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 -19.766 8.614 -4.088 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 6.312 -5.642 1.903 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 7.182 -5.592 1.493 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 5.732 -5.192 1.293 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 17.181 8.066 -5.559 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 17.741 7.416 -5.969 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 17.521 8.136 -4.669 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 15.704 0.825 -6.470 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 16.334 0.135 -6.670 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 15.274 1.015 -7.300 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 10.316 13.239 4.772 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 9.746 13.929 4.422 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 11.066 13.719 5.122 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 13.506 -15.268 6.783 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 13.886 -14.398 6.943 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 13.056 -15.488 7.603 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 -19.845 19.736 3.070 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 -20.605 20.306 3.190 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 -19.095 20.316 3.200 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 20.125 -9.843 -24.965 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 19.945 -9.723 -24.035 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 19.685 -10.673 -25.185 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 2.867 -4.502 10.760 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 3.717 -4.152 10.480 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 2.827 -5.382 10.380 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 0.013 -10.755 -6.265 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 0.563 -10.775 -7.045 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 -0.837 -11.105 -6.555 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 19.554 -0.918 -1.519 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 19.904 -1.708 -1.929 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 20.224 -0.648 -0.889 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 13.588 -12.365 6.826 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 13.158 -11.755 7.436 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 13.148 -12.215 5.996 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 8.641 -1.196 7.877 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 8.381 -0.296 7.677 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 8.481 -1.286 8.817 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 2.871 -15.181 -21.686 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 3.541 -15.801 -21.406 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 3.281 -14.691 -22.396 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 17.612 9.874 9.923 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 17.642 8.924 9.953 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 17.482 10.144 10.833 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 7.743 8.267 12.821 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 6.983 8.647 13.261 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 8.483 8.787 13.141 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 -15.116 -5.040 -12.350 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 -15.176 -4.630 -13.220 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 -15.646 -4.480 -11.790 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 8.324 24.255 -21.297 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 8.424 25.005 -20.707 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 8.104 23.525 -20.727 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 17.986 -0.626 -6.614 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 18.116 0.324 -6.564 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 18.696 -0.986 -6.084 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 -21.314 1.357 12.833 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 -21.184 1.897 12.063 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 -22.234 1.487 13.063 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -12.894 11.510 16.559 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -12.894 10.640 16.959 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -13.744 11.580 16.139 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -11.065 -3.321 17.422 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -11.555 -3.481 18.222 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -10.175 -3.601 17.622 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 -7.309 8.272 2.320 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 -6.739 8.422 1.570 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 -7.509 7.332 2.290 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 20.969 14.547 -11.431 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 20.889 13.957 -10.691 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 21.909 14.707 -11.511 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 -12.189 -12.118 12.770 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 -12.279 -11.318 13.280 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 -12.430 -11.858 11.880 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 -14.449 9.003 3.557 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 -14.799 8.253 3.077 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 -13.889 8.623 4.237 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 21.341 -17.500 -6.025 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 21.931 -18.190 -5.735 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 21.281 -16.910 -5.275 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 24.988 -0.819 -9.282 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 25.528 -1.469 -8.832 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 24.368 -1.329 -9.802 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 -15.753 23.921 7.476 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 -16.683 24.061 7.666 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 -15.743 23.451 6.646 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 19.802 24.688 22.546 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 19.702 25.388 21.896 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 19.122 24.868 23.196 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -21.249 -3.744 15.449 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -20.979 -3.604 16.349 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -21.479 -2.884 15.119 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 -18.185 -4.144 -23.563 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 -18.015 -4.774 -22.873 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 -19.145 -4.144 -23.663 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 5.101 -1.638 -12.110 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 5.231 -1.268 -12.990 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 5.321 -2.568 -12.210 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 -22.557 -18.396 5.718 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 -22.867 -18.026 6.538 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 -22.367 -19.306 5.918 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 -15.035 23.119 15.005 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 -14.775 22.729 15.845 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 -15.665 23.809 15.255 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 2.811 -20.375 -24.192 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 3.091 -19.605 -24.682 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 1.891 -20.205 -23.992 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -8.369 -9.701 -16.349 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -8.649 -10.081 -17.189 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -8.379 -8.761 -16.499 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 6.756 -15.458 -5.324 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 5.856 -15.758 -5.464 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 7.236 -15.768 -6.094 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 10.371 2.504 -24.032 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 10.531 2.234 -23.122 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 11.201 2.344 -24.472 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 15.162 20.002 -22.290 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 15.112 20.922 -22.040 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 15.792 19.972 -23.010 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -16.545 -0.284 -11.304 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -17.255 -0.354 -10.664 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -16.325 -1.194 -11.524 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -15.269 -10.838 18.868 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -14.930 -11.028 17.998 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -14.589 -11.138 19.468 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 1.767 16.161 17.387 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 1.917 16.991 17.827 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 0.997 15.791 17.827 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 -23.216 -8.806 -10.216 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 -22.276 -8.756 -10.056 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 -23.576 -9.156 -9.396 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 7.831 21.203 -7.040 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 7.061 21.063 -7.600 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 7.481 21.213 -6.150 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 3.376 -15.803 -18.215 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 4.176 -15.993 -18.705 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 3.676 -15.443 -17.385 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 -13.205 -22.359 22.123 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 -13.915 -21.729 22.083 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 -12.485 -21.879 22.533 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -14.698 11.254 -14.952 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -14.138 10.694 -14.422 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -15.578 10.874 -14.862 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -24.415 1.877 -8.022 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -24.925 1.057 -8.052 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -23.825 1.817 -8.772 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -14.186 8.018 -3.953 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -13.496 7.678 -4.523 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -14.916 7.408 -4.063 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 25.179 -2.862 -19.094 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 25.569 -2.012 -19.334 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 24.929 -2.752 -18.174 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 -2.167 6.882 -21.183 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 -2.117 6.962 -20.233 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 -2.437 7.742 -21.493 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 -8.727 -15.078 -16.234 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 -7.827 -15.398 -16.274 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 -8.647 -14.178 -15.894 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 6.581 -1.668 -9.584 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 7.521 -1.528 -9.734 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 6.161 -1.388 -10.404 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 14.707 2.523 -0.365 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 14.577 2.623 0.585 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 15.647 2.613 -0.485 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 0.439 11.665 23.604 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 0.329 11.295 22.724 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 0.989 11.035 24.074 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 13.334 -12.368 -8.601 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 13.794 -11.557 -8.391 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 12.574 -12.358 -8.021 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 -12.308 -15.890 4.066 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 -12.698 -15.750 4.936 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 -12.228 -16.840 3.986 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 17.718 -4.208 -10.167 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 18.618 -4.317 -9.867 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 17.798 -3.837 -11.047 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 -18.444 22.736 12.557 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 -19.134 22.786 11.897 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 -18.524 21.856 12.937 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 19.517 22.307 10.080 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 19.297 22.747 9.260 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 20.057 22.937 10.560 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 -9.117 -8.528 13.205 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 -9.487 -7.648 13.245 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 -8.537 -8.588 13.975 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 -5.735 13.517 -18.497 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 -5.825 14.227 -19.127 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 -5.155 12.887 -18.927 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 -25.137 8.490 16.127 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 -24.447 9.150 16.087 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 -25.957 8.980 16.007 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 -14.561 -5.679 5.044 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 -14.351 -6.609 5.164 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 -15.161 -5.479 5.764 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 -5.454 -4.828 10.022 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 -5.234 -5.508 10.662 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 -4.614 -4.558 9.662 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -24.969 13.069 -12.104 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -24.229 13.109 -11.504 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -24.950 13.889 -12.584 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 18.386 -17.736 3.433 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 18.346 -17.766 2.483 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 17.506 -17.976 3.723 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 -11.065 -18.966 3.269 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 -10.315 -18.536 3.669 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 -11.225 -19.736 3.819 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 -5.241 -12.236 -18.502 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 -6.111 -12.526 -18.762 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 -5.341 -11.306 -18.302 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 21.136 -22.756 6.876 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 21.826 -23.266 7.296 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 21.186 -21.886 7.276 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 14.909 17.612 14.210 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 14.299 18.112 13.650 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 15.749 17.702 13.770 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -13.166 14.925 -1.825 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -13.336 15.365 -2.655 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -12.616 14.175 -2.065 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 -1.622 16.951 -17.559 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 -2.442 17.311 -17.209 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 -1.072 16.821 -16.779 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 -20.966 1.619 21.193 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 -21.406 1.819 20.363 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 -21.676 1.449 21.803 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 11.984 8.589 22.671 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 12.114 9.469 22.321 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 11.064 8.579 22.961 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 10.915 2.739 16.356 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 11.765 3.129 16.606 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 10.585 2.369 17.176 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 7.937 -0.661 -12.153 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 7.377 -0.121 -12.703 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 8.157 -0.101 -11.403 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -15.512 -13.409 20.504 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -16.412 -13.129 20.374 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -15.302 -13.159 21.404 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 20.637 -6.702 -12.029 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 20.197 -7.262 -11.389 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 21.497 -6.532 -11.639 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 -7.055 8.354 -19.350 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 -6.995 8.784 -20.210 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 -7.875 7.854 -19.390 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 16.997 1.415 3.885 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 17.707 1.095 4.445 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 16.707 0.635 3.405 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 -18.635 -19.831 -13.229 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 -18.535 -19.071 -12.649 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 -17.855 -20.371 -13.049 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 -19.725 -11.838 -19.961 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 -19.145 -11.818 -19.201 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 -19.255 -11.358 -20.641 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 -17.996 -3.018 -13.890 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 -18.836 -2.868 -13.450 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 -17.906 -2.298 -14.500 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 -24.267 -14.001 -7.660 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 -24.327 -14.701 -7.020 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 -24.757 -14.311 -8.420 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 -11.832 25.445 10.765 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 -11.592 24.885 10.025 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 -12.032 24.835 11.475 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 -11.724 -20.996 6.912 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 -11.764 -21.516 7.712 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 -11.224 -20.216 7.162 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 -6.627 -18.957 -11.556 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 -6.327 -19.527 -12.266 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 -7.577 -19.077 -11.546 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 -16.881 -23.968 22.102 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 -16.721 -24.778 21.622 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 -16.701 -23.268 21.472 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 -5.385 20.632 -23.273 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 -4.735 21.202 -22.853 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 -4.965 19.772 -23.313 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 -17.865 -12.762 7.693 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 -17.925 -11.832 7.913 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 -17.225 -13.112 8.313 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 -17.512 -19.103 5.771 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 -17.832 -18.483 5.121 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 -17.172 -19.833 5.261 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 24.268 -14.503 -9.561 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 24.648 -14.453 -10.431 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 23.628 -13.793 -9.531 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 -3.233 12.932 -9.553 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 -4.133 13.082 -9.243 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 -2.733 13.682 -9.223 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 5.298 0.266 8.930 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 4.468 0.656 8.660 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 5.958 0.746 8.440 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 -23.446 -7.567 -3.267 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 -24.356 -7.607 -2.997 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 -23.476 -7.707 -4.217 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -20.842 -17.319 -8.118 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -21.002 -17.669 -8.988 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -21.492 -17.759 -7.558 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 11.621 -21.520 -8.620 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 12.151 -22.310 -8.740 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 11.921 -20.930 -9.310 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 -14.682 25.294 19.925 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 -14.262 25.364 19.075 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 -13.972 25.104 20.535 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 -18.216 23.339 16.670 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 -18.466 22.559 16.180 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 -18.966 23.929 16.570 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 9.915 13.624 23.502 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 10.125 14.014 24.352 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 10.435 12.814 23.482 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 -21.349 -21.307 1.992 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 -20.539 -21.317 1.492 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 -21.089 -21.017 2.862 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 -16.752 15.295 18.407 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 -17.642 14.965 18.537 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 -16.652 15.975 19.067 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -4.242 18.516 12.962 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -3.792 18.666 13.792 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -4.232 19.366 12.522 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 -6.452 24.880 10.113 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 -6.542 24.790 11.063 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 -6.932 25.680 9.903 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 -19.474 22.911 19.437 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 -19.524 23.681 18.867 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 -18.784 23.121 20.067 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 -18.874 -19.869 -7.730 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 -18.224 -19.189 -7.540 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 -18.404 -20.699 -7.590 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 4.991 -7.589 16.542 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 4.891 -7.409 17.472 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 5.881 -7.919 16.442 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 13.411 20.481 14.381 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 13.541 21.361 14.721 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 12.631 20.151 14.821 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 -11.796 20.285 9.696 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 -11.636 21.175 10.006 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 -12.096 19.815 10.476 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -4.932 4.877 -9.828 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -5.702 4.357 -9.598 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -5.282 5.747 -10.048 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 21.983 -2.760 -13.467 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 21.123 -3.160 -13.347 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 22.343 -3.190 -14.247 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 -17.034 21.673 19.001 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 -17.794 21.633 19.581 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 -17.384 21.953 18.161 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 5.227 23.354 16.272 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 5.107 24.154 15.762 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 4.697 23.484 17.062 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 -13.576 -13.041 5.269 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 -14.356 -13.341 5.739 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 -12.836 -13.381 5.769 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 1.715 -16.355 6.047 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 1.305 -16.055 6.857 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 1.045 -16.225 5.377 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 4.832 -7.699 -22.607 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 4.572 -8.609 -22.457 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 5.022 -7.359 -21.727 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 19.886 10.987 15.208 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 19.856 11.347 16.098 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 20.546 10.287 15.258 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 16.633 24.292 14.580 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 17.373 23.702 14.740 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 17.003 25.172 14.680 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -12.953 9.526 -13.029 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -12.113 9.266 -13.429 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -12.903 9.186 -12.129 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 -8.229 -3.298 1.277 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 -7.939 -4.068 1.777 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 -9.179 -3.268 1.407 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 17.801 5.650 20.535 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 17.531 6.310 19.895 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 18.131 4.930 20.015 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 -19.714 25.366 0.303 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 -20.254 25.766 -0.387 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 -20.344 24.896 0.853 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -12.084 -9.243 13.511 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -11.274 -9.173 13.011 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -12.284 -8.343 13.771 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 22.983 20.957 -11.127 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 22.433 21.527 -10.587 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 23.463 21.557 -11.697 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 14.001 3.950 -20.541 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 14.011 3.430 -19.741 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 14.870 4.340 -20.581 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 -18.473 -8.894 -2.880 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 -18.483 -9.194 -3.790 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 -18.733 -9.674 -2.370 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 19.240 17.254 -22.850 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 18.840 16.944 -23.660 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 19.460 16.454 -22.370 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 -22.453 -22.086 -24.319 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 -22.903 -22.886 -24.049 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 -22.223 -22.236 -25.239 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 -13.706 3.179 -21.253 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 -14.486 2.819 -21.673 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 -13.136 2.429 -21.113 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 -3.353 12.261 -6.171 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 -3.803 11.441 -5.951 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 -2.433 12.081 -5.991 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 -14.128 -12.720 -18.039 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 -13.898 -13.360 -18.709 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 -15.078 -12.790 -17.959 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 17.143 -8.873 20.831 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 17.623 -9.503 20.291 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 16.913 -8.173 20.221 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -2.584 2.095 -7.397 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -2.284 1.565 -6.657 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -3.464 2.395 -7.147 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 -23.511 11.000 -13.790 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 -23.641 11.920 -13.990 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 -22.771 10.730 -14.330 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 -13.908 -9.352 -20.471 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 -13.108 -9.712 -20.841 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 -13.728 -9.272 -19.531 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -6.845 -4.391 22.953 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -5.905 -4.251 22.993 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -7.215 -3.661 23.453 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 1.542 23.846 11.032 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 1.332 23.146 11.652 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 2.032 23.406 10.332 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 17.811 17.325 24.768 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 16.931 17.575 24.498 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 18.321 18.125 24.718 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 25.061 4.371 0.430 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 25.681 4.461 -0.290 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 24.341 4.961 0.210 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 -16.388 24.064 -3.910 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 -17.178 23.524 -4.000 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 -15.848 23.604 -3.270 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 -18.731 22.008 -15.534 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 -19.331 22.498 -16.094 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 -18.861 22.388 -14.664 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 16.926 -1.081 24.414 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 16.516 -0.521 23.754 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 16.316 -1.091 25.144 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 15.955 -10.094 15.161 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 16.845 -10.284 14.851 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 15.845 -10.664 15.921 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 9.869 -23.822 -0.684 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 10.409 -24.602 -0.834 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 9.009 -24.162 -0.454 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -22.505 -6.898 3.390 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -23.435 -7.118 3.410 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -22.075 -7.598 3.870 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 20.449 -4.719 21.526 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 20.119 -4.199 22.256 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 19.679 -4.929 21.006 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 14.991 -13.448 -6.688 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 14.561 -13.248 -7.518 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 15.891 -13.668 -6.928 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 -21.421 6.586 -19.106 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 -22.291 6.436 -18.746 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 -21.271 7.526 -18.976 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 12.154 10.871 18.024 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 12.994 10.921 18.474 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 11.574 11.421 18.554 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 -12.032 -13.249 1.329 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 -11.662 -12.529 1.829 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 -12.172 -12.889 0.449 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 -22.658 7.976 5.736 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 -22.468 8.626 6.406 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 -22.188 8.286 4.966 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 14.192 -4.030 13.036 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 13.382 -4.200 12.556 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 14.702 -4.840 12.926 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 22.561 9.402 -24.321 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 23.081 9.692 -23.571 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 23.171 9.422 -25.051 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 2.324 -1.339 2.863 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 1.984 -0.869 3.623 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 3.234 -1.039 2.783 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 -7.235 -1.311 -18.213 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 -6.825 -0.631 -17.683 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 -6.535 -1.631 -18.783 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 21.722 24.201 -0.658 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 20.982 23.831 -0.178 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 22.432 24.231 -0.028 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -20.398 -13.718 19.727 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -20.228 -13.578 20.667 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -19.658 -14.248 19.437 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 14.598 -17.189 -21.071 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 13.908 -17.299 -20.421 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 14.448 -16.329 -21.451 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 18.736 -1.848 13.456 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 19.406 -2.528 13.326 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 19.246 -1.058 13.646 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 11.135 -2.706 12.637 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 10.505 -2.286 12.057 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 10.965 -2.326 13.497 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -2.494 -20.702 -12.297 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -3.404 -20.932 -12.107 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -2.414 -20.802 -13.247 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 12.518 -4.917 18.933 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 11.718 -4.877 18.403 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 13.028 -5.627 18.553 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 13.838 -0.657 -17.194 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 13.368 -0.677 -18.024 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 13.158 -0.687 -16.524 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -23.834 -20.039 -5.564 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -24.414 -20.329 -4.864 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -23.054 -20.589 -5.474 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -3.763 -3.599 19.910 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -4.153 -2.719 19.840 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -4.163 -3.979 20.690 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 -11.823 7.275 7.483 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 -12.683 7.095 7.093 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 -11.743 6.645 8.193 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 2.633 3.592 2.531 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 1.733 3.682 2.821 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 2.563 3.302 1.621 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 0.411 -13.328 -14.259 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 0.051 -12.688 -14.879 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 0.681 -14.068 -14.799 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 4.154 17.896 10.223 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 3.844 17.466 9.433 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 4.694 18.616 9.903 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 2.122 17.031 -9.111 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 2.262 17.361 -8.221 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 2.742 17.511 -9.651 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 -19.842 -3.578 21.809 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 -20.422 -3.207 22.479 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 -20.182 -3.238 20.979 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 -21.822 7.159 24.526 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 -21.102 6.879 25.096 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 -21.982 8.069 24.766 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 21.874 17.723 -18.299 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 21.294 18.343 -17.839 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 22.104 17.073 -17.629 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 14.457 16.290 21.238 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 14.807 17.180 21.348 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 14.527 15.900 22.118 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 -16.506 -23.889 -5.236 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 -16.476 -24.769 -4.856 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 -15.596 -23.669 -5.406 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 21.078 4.651 14.394 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 20.588 4.931 13.624 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 20.508 4.861 15.134 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 1.219 -16.989 -8.780 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 1.799 -17.569 -8.280 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 0.479 -17.549 -9.030 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 -8.247 23.743 18.475 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 -7.417 23.313 18.665 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 -8.167 24.053 17.575 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 -5.761 13.495 -9.595 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 -5.921 12.715 -9.065 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 -6.641 13.835 -9.795 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 2.461 -8.974 -11.114 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 2.961 -9.784 -11.104 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 3.041 -8.344 -11.544 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 7.341 5.701 -22.788 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 6.631 5.431 -22.208 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 6.921 6.241 -23.458 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 3.694 13.220 -21.340 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 3.704 13.740 -20.540 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 3.414 13.840 -22.020 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 -21.418 -23.642 -6.244 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 -21.058 -24.122 -6.984 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 -20.688 -23.582 -5.624 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 -21.702 14.996 -11.894 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 -21.302 15.786 -11.504 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 -22.282 14.666 -11.204 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 -20.568 20.494 -5.576 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 -21.018 21.084 -4.976 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 -21.018 19.654 -5.476 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 18.522 -19.719 11.334 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 18.912 -19.909 10.484 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 18.712 -18.799 11.494 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 21.445 -20.109 -15.081 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 21.975 -19.569 -15.661 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 22.085 -20.619 -14.581 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 -10.349 0.023 17.126 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 -10.519 0.353 18.016 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 -10.799 -0.817 17.096 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 7.178 1.875 7.747 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 7.628 2.685 7.977 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 7.318 1.775 6.807 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 5.478 -13.717 18.979 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 4.828 -14.227 18.489 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 5.608 -12.927 18.459 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 -17.934 5.664 1.786 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 -18.184 5.484 2.696 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 -17.804 4.794 1.396 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 2.975 6.054 -19.414 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 3.505 6.364 -20.144 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 2.105 5.954 -19.784 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -12.662 -12.561 -12.504 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -12.102 -12.971 -13.164 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -13.352 -13.201 -12.354 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 13.707 2.374 -18.381 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 13.667 2.754 -17.501 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 14.507 1.854 -18.381 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 8.736 -17.114 -1.567 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 9.226 -17.714 -1.007 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 7.826 -17.254 -1.337 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 15.477 8.348 -20.041 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 16.237 8.868 -20.301 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 14.757 8.718 -20.561 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 22.635 15.662 -15.384 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 21.885 15.122 -15.174 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 22.535 16.442 -14.834 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -5.721 -8.323 -1.479 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -6.311 -8.823 -0.909 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -5.631 -8.863 -2.259 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 13.855 -6.131 -20.322 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 13.995 -5.341 -20.842 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 14.035 -6.851 -20.932 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 -20.183 19.028 19.370 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 -20.333 18.588 18.530 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 -20.733 19.808 19.330 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 9.591 -9.296 -22.053 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 8.741 -9.716 -22.093 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 10.171 -9.946 -21.653 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 -24.397 11.497 8.648 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 -25.107 10.977 9.028 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 -24.017 10.917 7.988 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 -23.035 10.553 15.406 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 -23.205 11.483 15.536 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 -23.655 10.283 14.726 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 -1.533 3.842 -14.705 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 -1.593 4.792 -14.625 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 -0.823 3.592 -14.115 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 19.755 -20.660 -11.091 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 20.555 -21.130 -10.871 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 19.095 -21.020 -10.491 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 -2.817 18.185 15.346 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 -2.157 18.605 15.896 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 -3.207 17.515 15.906 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -0.209 -23.837 -17.963 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -0.689 -23.627 -18.763 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -0.249 -23.027 -17.443 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 -1.565 -15.801 -2.279 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 -0.655 -15.701 -2.589 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 -2.005 -16.271 -2.979 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 -21.649 -23.403 17.777 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 -21.859 -22.823 17.047 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 -22.389 -23.313 18.377 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 1.182 13.647 -24.834 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 1.892 13.077 -24.534 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 0.722 13.127 -25.494 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 -15.448 15.606 12.552 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 -14.608 15.486 12.112 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 -15.358 15.116 13.372 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -0.916 -13.406 -23.144 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -1.556 -12.696 -23.184 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -0.186 -13.106 -23.674 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 -9.647 18.081 9.954 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 -9.717 19.031 9.994 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 -10.517 17.781 9.684 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 -7.241 4.127 15.756 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 -6.801 4.567 16.486 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 -6.681 3.377 15.566 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 2.788 -11.443 11.242 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 3.058 -10.733 11.832 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 1.998 -11.803 11.652 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 23.545 6.955 21.355 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 24.435 6.845 21.045 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 23.615 6.935 22.315 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 -5.457 -14.899 14.464 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 -5.687 -14.969 15.384 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 -4.687 -14.319 14.454 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 3.752 -8.598 11.606 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 3.252 -8.768 12.396 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 4.462 -8.008 11.896 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -10.647 24.242 5.973 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -10.967 23.382 5.713 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -9.827 24.362 5.493 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 9.129 -10.891 6.889 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 9.779 -10.291 6.519 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 8.629 -11.191 6.129 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 -19.548 20.929 17.488 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 -19.018 20.549 18.178 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 -20.228 21.419 17.948 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 25.326 17.912 -8.224 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 24.386 17.772 -8.074 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 25.576 18.562 -7.564 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -11.923 12.572 -19.289 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -11.353 12.212 -18.599 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -12.703 12.852 -18.819 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 -1.173 2.298 0.379 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 -1.033 2.388 1.319 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 -0.293 2.268 0.009 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 -18.612 -4.481 -20.401 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 -18.102 -3.761 -20.761 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 -19.172 -4.081 -19.731 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 -7.192 19.107 -12.547 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 -6.532 19.107 -13.237 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 -6.862 18.487 -11.887 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 6.516 -2.030 14.186 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 5.626 -2.200 14.486 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 6.486 -2.180 13.246 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 13.957 -18.085 18.753 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 14.467 -18.045 19.563 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 13.107 -17.705 18.983 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 24.535 -8.313 -7.294 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 23.675 -8.143 -7.674 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 24.915 -8.993 -7.844 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 -17.527 16.948 -12.591 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 -18.077 17.728 -12.491 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 -16.727 17.168 -12.101 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 7.715 -14.490 -8.074 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 8.625 -14.730 -7.964 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 7.725 -13.530 -8.144 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 -14.013 11.282 10.114 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 -13.343 10.962 10.714 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 -14.233 10.532 9.574 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 9.517 -18.281 20.186 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 10.047 -17.481 20.206 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 8.897 -18.181 20.906 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 -25.235 -2.425 24.656 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 -24.465 -2.985 24.556 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 -25.425 -2.435 25.596 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 1.313 -1.994 14.630 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 1.903 -1.254 14.790 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 0.443 -1.614 14.730 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -15.843 15.318 9.457 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -16.583 15.838 9.757 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -15.233 15.958 9.077 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 -20.108 4.548 21.634 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 -20.258 4.938 20.774 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 -20.968 4.538 22.054 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 -22.652 18.707 22.690 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 -23.272 18.387 22.040 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 -22.282 17.927 23.080 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -2.307 8.007 -0.827 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -2.387 7.167 -1.287 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -1.527 7.917 -0.287 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 -12.301 0.374 -15.635 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 -12.011 -0.486 -15.955 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 -13.161 0.494 -16.035 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 -18.803 0.015 22.728 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 -19.563 -0.525 22.928 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 -19.133 0.665 22.108 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 -19.447 2.232 -11.624 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 -18.977 3.052 -11.454 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -20.077 2.452 -12.304 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -20.479 -14.093 -2.436 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -20.469 -14.213 -3.386 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -19.909 -14.793 -2.116 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -1.082 17.999 -0.977 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -0.132 18.119 -0.967 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -1.232 17.169 -0.527 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -0.584 -13.898 2.220 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -1.254 -13.218 2.260 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 0.246 -13.428 2.210 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 24.176 21.846 -6.536 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 23.466 21.306 -6.196 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 24.156 21.686 -7.486 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 17.946 20.052 -23.774 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 17.426 19.242 -23.724 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 18.536 20.002 -23.034 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 17.976 -16.089 19.935 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 18.676 -15.689 19.415 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 17.956 -16.999 19.635 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 5.485 23.645 -10.456 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 5.885 22.775 -10.496 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 5.525 23.885 -9.536 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 6.031 2.547 -16.523 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 6.851 3.037 -16.473 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 6.251 1.737 -16.983 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 -24.639 -18.544 1.703 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 -24.259 -17.694 1.923 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 -25.249 -18.724 2.433 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 -24.672 -22.130 2.194 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 -24.852 -21.270 2.574 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 -25.532 -22.490 2.014 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 -18.598 22.651 -4.540 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 -19.168 22.471 -3.800 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 -19.038 22.261 -5.290 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 7.016 -17.148 3.000 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 6.536 -17.548 3.720 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 7.106 -17.848 2.340 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 5.136 2.057 16.992 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 5.646 2.607 16.402 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 5.656 1.257 17.102 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 15.872 -21.349 2.360 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 15.572 -21.569 3.240 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 15.762 -20.399 2.300 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 14.166 -25.206 4.277 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 13.956 -24.336 3.927 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 15.026 -25.096 4.677 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -21.286 -19.884 22.339 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -21.866 -19.564 21.649 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -21.726 -19.654 23.149 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 16.126 10.654 -1.008 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 15.206 10.374 -1.018 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 16.246 11.034 -0.138 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 8.083 21.062 -4.368 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 8.113 21.092 -3.408 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 8.993 21.192 -4.638 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 5.354 -19.025 4.607 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 5.384 -19.985 4.607 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 4.574 -18.815 5.127 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 -11.603 -1.593 -4.717 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 -11.573 -2.393 -5.237 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 -12.533 -1.443 -4.557 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 -20.771 24.541 17.289 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 -20.801 25.401 16.849 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 -21.681 24.341 17.489 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 -5.108 -22.889 -23.007 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 -4.598 -23.059 -23.807 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 -5.268 -21.949 -23.027 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 14.262 -19.243 -22.551 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 14.372 -18.383 -22.141 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 14.852 -19.813 -22.061 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 -1.811 6.904 -9.307 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 -2.151 7.584 -9.877 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 -0.881 6.864 -9.517 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 15.906 20.103 -8.619 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 15.666 19.643 -7.819 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 15.526 20.973 -8.519 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 5.859 7.293 -24.895 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 6.049 7.983 -25.535 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 4.969 7.003 -25.105 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 20.897 1.567 21.493 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 21.217 1.637 22.393 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 20.007 1.927 21.533 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -7.421 19.528 -8.702 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -7.661 20.348 -9.132 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -8.241 19.198 -8.332 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 -4.342 11.340 -19.912 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 -3.532 11.060 -19.472 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 -4.632 10.560 -20.382 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 16.523 -16.953 9.623 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 16.973 -16.363 10.223 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 15.883 -17.423 10.173 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 6.977 -8.020 7.292 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 7.707 -7.530 7.662 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 6.797 -8.710 7.922 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 12.228 5.353 -7.561 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 11.438 4.873 -7.311 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 12.608 5.633 -6.721 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 17.580 -22.772 -21.115 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 18.191 -22.542 -20.405 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 16.840 -22.182 -21.005 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 17.277 -14.124 -10.152 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 18.007 -13.674 -9.712 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 17.597 -14.284 -11.042 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 -6.792 3.233 1.725 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 -7.732 3.353 1.635 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 -6.412 3.683 0.975 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 3.007 -21.304 -0.319 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 2.737 -21.204 0.601 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 3.867 -20.904 -0.369 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 7.362 0.379 16.999 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 7.762 0.779 17.779 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 7.072 -0.481 17.299 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -13.605 -24.887 -18.515 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -12.925 -24.257 -18.275 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -13.535 -25.567 -17.845 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 -6.784 -16.432 -9.722 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 -7.094 -16.762 -10.572 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 -7.404 -16.792 -9.092 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 3.966 -23.102 -6.667 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 4.256 -22.242 -6.947 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 4.156 -23.132 -5.727 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 -1.279 19.687 3.521 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 -0.739 19.937 2.781 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 -0.779 19.007 3.961 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 17.232 -22.994 -23.889 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 17.832 -22.384 -24.329 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 17.122 -22.634 -23.009 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 19.872 8.514 17.310 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 19.092 8.864 16.860 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 20.612 8.914 16.850 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 -14.087 0.091 16.575 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 -14.057 0.211 15.625 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 -13.357 0.601 16.905 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 -18.263 0.906 -8.072 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 -18.163 0.426 -7.252 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 -18.053 1.816 -7.852 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 21.348 -2.398 5.388 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 20.708 -2.958 4.948 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 20.998 -2.278 6.268 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 19.515 15.105 -20.390 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 19.085 14.285 -20.180 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 20.065 15.295 -19.620 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 12.659 -24.362 22.740 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 12.409 -25.212 22.370 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 13.529 -24.512 23.110 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 21.904 -16.713 3.298 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 21.444 -17.223 2.638 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 21.374 -15.923 3.398 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 17.913 -12.486 -23.781 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 17.183 -12.006 -24.171 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 18.243 -11.906 -23.091 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 23.335 11.111 11.296 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 23.815 10.751 12.036 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 22.715 11.731 11.686 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 18.273 -21.521 9.463 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 17.533 -20.941 9.283 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 18.113 -21.841 10.353 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 -9.223 -17.198 1.325 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 -8.873 -18.068 1.115 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 -9.863 -17.028 0.635 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 2.896 24.520 -16.758 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 2.676 25.130 -17.458 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 2.716 25.000 -15.948 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 16.902 8.644 -9.597 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 16.212 8.414 -10.217 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 16.832 7.984 -8.907 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 -23.827 -10.268 15.809 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 -23.037 -9.748 15.649 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 -24.327 -10.198 14.989 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 18.168 -1.391 5.493 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 17.438 -1.231 4.893 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 18.938 -1.111 5.013 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 -16.033 -24.645 -19.877 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 -15.283 -24.825 -19.307 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 -16.743 -24.455 -19.267 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 11.811 -22.582 -22.919 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 12.321 -23.072 -23.559 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 11.881 -21.672 -23.189 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 17.497 -0.796 -9.679 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 18.177 -0.856 -8.999 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 17.837 -0.156 -10.299 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 5.275 -17.008 -23.434 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 4.335 -16.978 -23.624 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 5.425 -17.878 -23.054 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 -17.864 -10.569 -16.842 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 -17.934 -11.279 -17.472 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 -16.934 -10.369 -16.792 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 3.542 -6.554 -20.369 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 3.182 -6.044 -21.099 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 2.952 -6.374 -19.639 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 25.143 -6.938 -24.209 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 24.253 -7.298 -24.189 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 25.183 -6.368 -23.449 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 -0.089 4.720 18.270 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 0.541 4.440 18.930 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 -0.339 3.900 17.830 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 2.546 24.080 -23.113 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 1.596 24.000 -23.193 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 2.876 23.220 -23.363 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 8.777 -24.619 14.966 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 8.097 -24.569 14.296 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 9.297 -23.819 14.846 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -5.298 1.689 21.456 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -4.608 2.329 21.646 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -5.608 1.939 20.586 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 22.433 24.075 6.493 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 22.653 23.315 5.953 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 21.883 24.625 5.933 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 22.763 10.233 21.513 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 22.323 9.403 21.643 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 22.693 10.683 22.363 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 -13.121 -8.088 4.947 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -12.801 -8.138 5.847 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -12.351 -7.828 4.437 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 3.742 -11.196 4.948 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 3.032 -10.646 5.268 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 3.842 -11.866 5.628 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 -3.762 7.606 14.388 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 -3.362 7.056 15.058 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 -3.102 7.686 13.698 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 -18.126 10.322 5.092 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 -18.096 9.792 4.302 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 -18.076 11.222 4.772 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 -17.646 13.512 4.156 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 -16.746 13.832 4.106 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 -18.186 14.272 3.926 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 1.063 2.509 -7.911 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 1.243 1.599 -7.681 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 0.113 2.559 -8.001 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 4.067 -3.333 14.414 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 3.217 -2.943 14.644 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 3.887 -4.273 14.364 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 2.126 18.982 18.063 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 2.286 19.622 18.753 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 2.446 19.402 17.263 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -18.208 8.359 24.840 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -17.318 8.069 24.630 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -18.128 9.309 24.940 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 20.308 17.195 15.942 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 21.058 16.695 15.622 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 20.088 17.785 15.212 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -9.673 14.540 -12.310 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -9.073 15.270 -12.460 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -9.113 13.810 -12.070 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 20.725 -5.205 -18.235 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 20.275 -6.045 -18.195 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 21.385 -5.325 -18.925 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 -16.589 19.842 -5.525 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 -15.659 19.872 -5.755 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 -16.689 20.532 -4.875 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 23.677 12.012 -0.622 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 23.967 11.112 -0.792 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 24.067 12.232 0.228 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -6.634 -15.183 -0.392 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -5.814 -15.653 -0.532 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -6.594 -14.893 0.518 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 -5.891 -0.004 -0.712 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 -6.691 0.496 -0.532 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 -6.201 -0.844 -1.052 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 0.023 20.707 1.200 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 0.523 21.457 0.880 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 -0.517 20.457 0.460 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 -20.471 11.932 5.406 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 -20.801 12.792 5.156 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 -20.061 11.592 4.606 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 8.994 15.422 13.884 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 9.644 15.733 14.514 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 8.264 16.042 13.974 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 -19.886 -5.398 -6.044 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 -20.486 -5.508 -5.314 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 -19.086 -5.838 -5.774 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -3.455 5.696 0.705 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -3.555 5.756 -0.245 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -4.245 5.226 0.985 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 -18.896 4.960 -11.099 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 -19.656 5.430 -10.739 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 -18.136 5.470 -10.819 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 22.483 14.314 21.633 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 21.703 14.864 21.643 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 22.213 13.524 21.163 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 3.075 -16.063 8.709 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 3.795 -16.693 8.639 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 2.385 -16.443 8.159 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 2.596 0.467 -13.251 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 2.306 1.377 -13.301 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 2.996 0.297 -14.101 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 -8.028 21.797 13.753 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 -7.928 21.247 14.533 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 -7.348 21.497 13.153 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 12.862 9.020 10.166 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 12.892 8.090 9.946 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 13.462 9.440 9.546 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 12.229 15.956 13.880 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 11.739 16.776 13.770 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 13.019 16.086 13.360 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 -23.847 -22.503 -1.103 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 -23.867 -22.463 -0.153 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 -24.747 -22.353 -1.373 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 -22.749 -23.554 22.176 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 -22.719 -24.354 21.656 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 -21.939 -23.084 21.946 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 5.636 1.499 -10.674 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 6.176 1.759 -9.924 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 4.906 1.009 -10.284 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 24.662 19.512 18.106 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 24.952 19.162 17.266 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 25.062 20.382 18.156 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 20.074 14.759 7.792 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 20.754 15.419 7.732 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 20.124 14.439 8.692 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 22.326 -17.984 -22.945 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 22.276 -17.764 -22.015 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 22.626 -18.894 -22.965 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 19.308 -13.779 -1.354 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 18.388 -13.779 -1.104 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 19.748 -13.319 -0.644 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 -22.848 -17.613 8.324 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 -21.948 -17.623 8.644 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 -23.158 -16.723 8.494 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 -10.769 2.536 -16.800 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 -10.909 1.786 -17.380 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 -10.939 2.186 -15.920 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 15.050 6.511 -2.937 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 15.360 7.411 -3.037 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 15.291 6.271 -2.047 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -20.545 -9.490 -9.701 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -20.975 -10.300 -9.981 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -19.735 -9.790 -9.281 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 -20.607 21.146 -10.138 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 -20.907 20.336 -9.738 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 -19.677 21.206 -9.898 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 -17.353 17.399 16.780 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 -17.163 16.739 17.460 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 -18.253 17.219 16.510 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 13.884 15.783 17.226 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 14.404 16.133 17.956 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 14.134 16.333 16.476 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 -4.889 -6.026 -0.239 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 -5.329 -6.796 -0.599 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 -5.449 -5.286 -0.469 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 -8.081 -12.703 23.069 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 -8.251 -13.263 23.819 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 -8.951 -12.463 22.749 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -12.746 18.562 -20.925 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -11.796 18.612 -21.025 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -13.006 19.422 -20.585 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 3.477 23.526 18.352 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 3.547 23.486 19.302 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 2.557 23.326 18.172 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -1.999 -11.546 -25.046 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -2.809 -11.286 -24.616 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -1.969 -11.026 -25.846 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 -6.527 8.171 -16.587 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 -5.617 8.411 -16.387 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 -6.627 8.331 -17.517 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 -23.927 21.490 18.919 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 -23.427 21.780 18.149 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 -23.267 21.060 19.469 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 18.195 -8.538 6.341 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 18.095 -9.478 6.161 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 18.005 -8.448 7.271 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 4.164 5.150 6.037 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 3.314 5.360 5.657 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 4.794 5.370 5.347 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 12.414 -24.111 16.973 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 13.044 -24.811 16.843 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 12.694 -23.411 16.393 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 15.125 -21.838 18.516 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 15.645 -22.488 18.036 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 14.265 -21.888 18.106 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 18.808 -24.368 14.926 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 19.608 -24.847 14.726 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 19.088 -23.637 15.466 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 -11.906 4.913 -23.638 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 -12.486 4.443 -23.038 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 -11.116 5.083 -23.128 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 12.726 -15.236 -16.431 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 13.666 -15.376 -16.431 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 12.566 -14.626 -17.151 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 18.203 -24.176 -17.221 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 17.513 -23.726 -17.711 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 17.743 -24.876 -16.751 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 -14.831 -5.448 2.289 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 -14.441 -6.218 1.899 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 -14.761 -5.598 3.239 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 -12.963 7.204 24.888 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 -12.273 7.224 24.228 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 -12.843 6.374 25.348 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 11.469 -11.137 -6.598 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 12.039 -10.387 -6.428 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 10.599 -10.757 -6.708 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 -23.014 19.151 -13.440 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 -23.964 19.171 -13.330 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 -22.744 20.061 -13.390 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 20.286 -20.300 7.497 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 19.556 -20.600 8.027 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 19.896 -19.690 6.877 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 19.498 21.837 -18.995 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 20.408 22.057 -19.175 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 18.998 22.517 -19.435 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 -19.656 15.531 17.797 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 -20.136 16.271 17.417 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 -20.226 14.771 17.647 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 -9.183 -13.469 8.164 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 -8.703 -13.129 7.404 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 -10.083 -13.149 8.044 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 -20.464 -0.810 14.555 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 -19.694 -1.330 14.355 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 -20.624 -0.300 13.765 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 1.429 -18.173 15.245 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 1.189 -17.673 16.015 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 0.669 -18.113 14.665 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 0.589 -18.453 -3.918 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 0.859 -18.503 -2.998 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 0.589 -17.513 -4.118 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 -9.685 23.413 8.996 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 -8.815 23.192 8.656 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 -10.115 23.852 8.266 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 19.577 -15.378 2.497 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 18.877 -15.808 2.997 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 19.787 -15.998 1.797 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 -16.895 15.127 21.429 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 -16.445 14.377 21.819 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 -16.355 15.357 20.669 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -10.662 7.781 -17.499 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -10.792 6.871 -17.219 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -10.092 7.711 -18.269 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 20.815 9.773 -9.669 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 20.635 8.853 -9.859 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 20.565 9.893 -8.759 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 19.208 1.282 -22.411 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 18.858 2.142 -22.161 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 19.718 1.452 -23.201 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -4.543 -19.885 -14.020 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -5.413 -20.185 -14.300 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -3.933 -20.335 -14.600 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 16.487 20.717 8.466 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 15.667 20.797 7.986 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 17.157 20.607 7.786 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 -17.616 -9.389 -9.734 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 -17.086 -9.869 -10.364 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 -17.916 -8.609 -10.204 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 14.111 -11.914 14.070 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 14.601 -11.124 14.300 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 13.261 -11.804 14.500 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 -17.097 -14.174 -15.978 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 -16.977 -13.644 -15.188 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 -17.867 -14.724 -15.788 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 13.028 -24.486 -10.212 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 13.638 -24.606 -9.482 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 12.268 -25.006 -9.972 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -6.127 5.840 -23.225 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -7.017 6.210 -23.225 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -5.587 6.510 -23.645 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 -8.883 -17.656 -15.210 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 -8.013 -17.326 -14.980 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 -9.393 -16.866 -15.400 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 22.202 -6.154 -20.812 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 22.652 -6.984 -20.672 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 21.712 -6.274 -21.622 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 -17.136 21.806 -12.221 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 -17.226 21.306 -13.031 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 -17.216 21.166 -11.521 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 -14.406 0.563 -13.114 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 -13.606 0.053 -13.214 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 -14.816 0.213 -12.324 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 4.549 -4.718 -0.454 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 4.129 -4.648 -1.314 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 4.969 -3.868 -0.324 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 -3.678 -19.360 -8.477 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 -4.178 -20.170 -8.417 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 -3.968 -18.950 -9.287 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 22.201 0.882 15.319 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 21.771 0.532 16.089 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 22.561 0.112 14.869 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 23.285 -13.365 -18.721 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 22.745 -13.275 -19.501 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 23.015 -12.635 -18.161 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -1.682 19.958 13.089 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -2.272 20.128 13.829 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -1.872 19.048 12.849 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 -12.647 -3.838 19.479 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 -13.377 -3.788 20.089 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 -12.477 -4.768 19.379 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 1.632 -15.058 20.928 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 0.942 -14.438 21.178 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 2.342 -14.508 20.608 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 13.736 -11.098 25.548 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 14.096 -10.288 25.188 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 13.756 -11.708 24.818 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 -24.582 14.083 13.969 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 -23.992 13.723 13.309 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 -25.432 13.673 13.779 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 22.330 18.055 -13.940 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 22.821 17.915 -13.130 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 22.801 18.765 -14.380 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 1.839 0.472 16.441 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 2.229 1.282 16.771 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 1.559 0.012 17.231 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -6.598 10.529 -11.327 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -6.438 11.449 -11.537 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -6.668 10.509 -10.377 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 -6.884 -15.208 -12.677 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 -7.634 -15.518 -13.177 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 -6.374 -15.988 -12.477 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 -23.825 -10.596 -7.785 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 -23.025 -10.346 -7.335 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 -24.455 -10.776 -7.085 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 -14.087 -4.688 15.410 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 -13.707 -4.748 16.280 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 -13.387 -4.328 14.860 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 -5.158 7.644 -10.949 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 -5.558 8.494 -11.119 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 -4.288 7.854 -10.589 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 15.905 23.102 19.020 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 15.485 23.612 18.320 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 16.495 23.722 19.440 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 6.594 -15.799 5.889 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 5.904 -16.249 5.389 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 7.184 -15.449 5.219 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 -17.783 -14.816 24.293 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 -17.263 -15.576 24.053 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 -18.503 -14.816 23.663 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -9.749 18.160 -13.418 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -9.209 18.870 -13.078 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 -9.219 17.750 -14.088 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 22.208 2.996 -21.370 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 22.968 2.456 -21.600 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 21.458 2.506 -21.700 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 -9.666 -3.469 -5.111 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 -8.766 -3.789 -5.221 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 -9.636 -2.569 -5.441 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 -10.291 4.402 16.153 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 -9.491 4.922 16.203 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 -9.991 3.502 16.193 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 16.345 0.465 -20.067 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 16.255 0.945 -20.887 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 15.455 0.205 -19.827 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 -23.047 11.771 -21.173 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 -23.597 11.861 -21.953 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 -23.617 11.381 -20.523 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 21.193 20.580 6.027 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 21.163 19.830 5.437 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 21.163 20.200 6.907 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -4.627 2.652 -18.968 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -4.447 2.802 -19.888 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -5.527 2.962 -18.838 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 19.816 -7.656 -0.027 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 19.206 -8.366 0.193 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 19.286 -7.036 -0.537 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 -15.844 -1.023 11.159 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 -16.444 -0.403 11.589 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 -14.974 -0.753 11.439 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 8.811 -0.441 1.023 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 9.041 -0.391 1.953 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 8.191 0.279 0.883 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 -3.913 20.211 20.346 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 -4.063 20.021 19.416 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 -3.203 19.621 20.606 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 19.816 -17.698 0.664 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 19.976 -18.078 -0.206 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 20.246 -18.308 1.264 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 16.909 -23.733 -3.211 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 17.529 -23.683 -3.931 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 16.159 -23.233 -3.501 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 -13.613 -4.039 8.371 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 -13.153 -4.849 8.591 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 -12.913 -3.379 8.321 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 -6.736 -16.060 10.417 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 -7.646 -15.830 10.597 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 -6.466 -16.580 11.177 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -10.779 9.023 -1.912 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -10.869 9.543 -1.112 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -10.489 8.163 -1.612 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 4.381 2.609 4.312 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 4.371 3.409 4.842 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 3.681 2.729 3.672 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 -17.987 24.902 2.598 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 -18.527 25.182 1.858 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 -18.617 24.742 3.298 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 -0.836 23.158 21.837 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 -1.056 23.038 20.917 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 -1.006 24.088 21.997 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 -7.528 20.122 16.061 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 -7.098 19.272 16.031 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 -8.218 20.042 16.711 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 -12.519 -6.905 1.060 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 -12.079 -6.295 0.470 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 -12.499 -7.745 0.600 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -10.682 25.292 23.656 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -10.172 24.952 22.916 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -11.592 25.102 23.416 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 -23.826 3.646 -17.456 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 -23.626 3.816 -18.376 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 -24.766 3.446 -17.446 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 25.226 9.597 -6.641 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 25.806 9.857 -5.931 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 24.766 10.397 -6.891 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 19.953 22.957 -3.477 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 20.023 22.057 -3.177 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 20.643 23.427 -2.997 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 20.816 -22.743 0.871 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 20.206 -22.313 1.471 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 21.146 -22.033 0.321 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 -4.165 8.380 -14.839 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 -4.475 7.480 -14.729 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 -3.265 8.370 -14.529 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 -19.361 14.285 -0.204 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 -18.981 13.655 0.406 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 -19.661 13.755 -0.944 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 19.419 -24.218 9.266 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 20.349 -24.218 9.036 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 19.089 -23.388 8.936 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 9.759 -14.735 -10.834 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 8.979 -15.275 -10.924 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 10.419 -15.325 -10.484 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 9.229 12.534 -14.325 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 8.649 12.734 -15.065 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 9.969 12.064 -14.725 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 13.817 18.349 6.639 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 14.397 19.109 6.629 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 14.347 17.649 7.019 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -20.168 14.286 22.159 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -20.338 15.176 21.859 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -19.228 14.286 22.379 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 8.019 4.909 14.732 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 8.159 5.579 15.402 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 8.079 4.079 15.212 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -4.601 -1.059 21.990 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -3.761 -0.669 21.710 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -5.201 -0.319 22.010 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 -24.776 3.822 -2.719 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 -24.076 4.462 -2.629 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 -24.406 3.142 -3.289 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 -0.213 18.272 24.123 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 -0.053 18.992 23.513 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 0.007 18.632 24.983 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 -25.012 -12.702 18.019 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 -25.352 -12.582 18.909 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 -24.662 -11.842 17.779 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 -10.425 -21.606 11.156 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 -9.645 -21.136 10.846 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 -10.525 -21.336 12.066 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 -17.837 -2.884 -3.882 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 -18.067 -3.804 -4.012 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 -17.607 -2.574 -4.752 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 24.461 12.931 -23.222 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 24.111 12.611 -22.392 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 24.391 13.891 -23.162 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 16.289 -20.380 8.103 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 16.189 -20.220 7.163 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 15.409 -20.320 8.453 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 -22.225 22.035 -12.047 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 -21.695 21.375 -11.607 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 -22.715 22.455 -11.347 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 12.181 -16.784 -11.321 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 12.680 -17.054 -10.551 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 12.650 -16.014 -11.651 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 -11.227 -11.457 16.584 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 -11.797 -11.577 15.824 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 -10.727 -10.657 16.384 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 -11.194 18.900 -3.027 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 -11.454 18.280 -3.707 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 -11.144 18.370 -2.227 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 10.196 -14.669 8.796 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 9.446 -14.779 8.226 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 10.036 -13.839 9.246 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 -1.317 -17.480 -16.257 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 -1.197 -17.230 -15.347 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 -0.867 -16.790 -16.757 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 -7.603 -11.929 3.243 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 -7.143 -12.629 2.773 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 -8.473 -11.909 2.833 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 -13.981 5.159 -8.594 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 -14.341 4.279 -8.674 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 -13.381 5.239 -9.344 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 -11.758 -2.658 -16.529 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 -12.678 -2.398 -16.429 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 -11.558 -2.468 -17.439 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 18.927 -18.191 -6.994 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 19.687 -17.641 -6.824 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 18.357 -17.641 -7.534 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 7.798 2.169 0.849 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 8.508 2.459 0.279 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 7.068 2.759 0.649 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 4.282 0.377 5.933 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 3.692 0.227 6.673 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 4.132 1.287 5.683 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 5.990 -11.528 -13.221 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 6.480 -11.908 -12.491 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 6.230 -12.058 -13.981 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 -25.088 10.712 3.711 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 -24.838 10.442 4.591 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 -24.268 10.852 3.251 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 0.726 -3.810 -2.130 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 0.326 -3.010 -2.460 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 0.136 -4.510 -2.410 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 -9.774 -5.152 -14.378 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 -9.224 -5.932 -14.328 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 -9.784 -4.922 -15.298 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 11.749 -16.050 11.044 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 11.039 -15.720 10.494 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 12.469 -15.430 10.894 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 9.338 -22.782 21.120 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 10.008 -22.962 20.450 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 9.228 -21.832 21.100 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 -0.909 17.957 -14.579 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 -1.049 18.097 -13.639 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 -0.869 17.007 -14.679 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 22.193 16.820 19.487 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 22.203 16.210 20.227 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 22.883 17.450 19.687 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 -19.102 -7.928 24.689 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 -18.742 -7.697 25.549 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 -18.332 -8.127 24.159 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 -17.362 -7.618 22.103 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 -17.212 -6.668 22.203 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 -17.302 -7.778 21.163 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 16.176 19.132 22.154 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 16.376 19.712 22.874 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 15.436 19.552 21.694 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 -4.792 24.407 -18.635 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 -4.552 25.127 -19.215 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 -4.652 24.747 -17.755 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -10.561 -0.510 -23.641 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -11.391 -0.760 -24.061 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -10.811 0.150 -23.001 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 23.197 13.095 7.935 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 23.987 13.025 8.475 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 22.557 13.495 8.515 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 13.108 -8.137 -17.924 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 12.828 -7.907 -18.814 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 14.038 -7.927 -17.904 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 -5.436 10.248 23.311 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 -5.606 11.188 23.361 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 -5.776 9.978 22.461 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 -2.004 0.238 7.213 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 -2.674 -0.372 6.923 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 -2.064 0.978 6.603 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 13.179 13.994 9.258 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 13.289 13.494 10.068 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 12.999 13.334 8.588 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 21.682 2.571 17.636 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 21.932 2.051 18.396 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 22.192 2.191 16.916 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 -14.989 -17.192 16.228 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 -14.539 -16.992 15.408 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 -15.289 -18.102 16.118 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 0.465 -15.342 -12.213 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -0.005 -16.032 -12.703 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 0.635 -14.672 -12.873 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 -13.843 -2.449 -0.381 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 -13.563 -1.549 -0.231 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 -14.643 -2.369 -0.901 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 10.581 -22.114 14.642 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 10.411 -21.404 14.032 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 10.751 -21.684 15.482 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 -17.327 -19.718 9.955 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 -16.597 -20.298 9.725 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 -17.907 -20.258 10.485 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -20.125 -19.285 -5.316 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -19.525 -19.595 -5.996 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -19.975 -19.865 -4.576 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 13.856 -15.308 -12.878 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 13.786 -14.378 -12.688 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 13.386 -15.418 -13.708 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 23.128 8.963 0.175 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 23.408 8.533 -0.635 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 23.758 8.663 0.835 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 -14.567 -3.983 -4.377 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 -13.797 -3.783 -4.917 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 -14.217 -4.373 -3.587 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 -5.991 2.607 -8.575 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -5.421 1.847 -8.455 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 -6.871 2.237 -8.665 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 14.249 22.722 15.657 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 14.699 23.412 15.167 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 14.949 22.232 16.077 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 -13.554 13.441 12.903 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 -13.404 12.851 12.173 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 -12.684 13.651 13.223 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 21.757 -13.350 19.876 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 22.627 -13.450 20.256 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 21.297 -12.760 20.466 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 -12.640 12.005 21.022 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 -12.889 11.175 20.622 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 -12.100 11.755 21.762 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 -2.035 15.169 -0.839 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 -2.155 14.229 -0.709 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 -2.915 15.509 -0.959 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 20.898 17.702 -6.433 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 20.388 16.972 -6.783 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 21.808 17.392 -6.463 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -7.162 3.439 -20.492 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -6.922 3.689 -21.382 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -7.812 2.749 -20.602 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 -20.252 -11.651 2.820 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 -20.802 -11.381 3.560 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 -20.642 -11.211 2.070 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 15.374 5.796 3.646 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 14.814 6.496 3.296 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 16.004 6.256 4.206 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 11.649 11.458 23.484 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 11.649 10.598 23.894 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 12.579 11.648 23.334 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 18.932 23.978 6.647 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 19.242 23.228 6.127 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 19.642 24.618 6.577 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 16.728 -13.596 -0.464 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 15.998 -14.196 -0.404 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 16.428 -12.906 -1.054 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 -6.977 -5.642 -12.433 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 -7.447 -4.872 -12.763 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 -6.577 -6.032 -13.213 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 6.083 0.183 -18.024 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 6.553 -0.037 -18.834 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 5.983 -0.657 -17.574 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 21.919 -19.873 -19.995 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 21.089 -19.423 -20.115 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 21.679 -20.723 -19.615 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -10.394 21.812 11.936 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -9.434 21.862 11.976 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -10.654 21.522 12.806 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 8.311 2.744 23.296 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 8.031 3.244 22.526 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 7.681 2.974 23.976 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 -13.244 4.276 23.552 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 -13.934 4.936 23.482 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 -13.614 3.606 24.132 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 -23.596 -11.388 -18.457 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 -22.856 -11.918 -18.747 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 -24.286 -11.578 -19.087 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 17.214 -17.079 0.955 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 17.874 -17.709 0.685 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 17.044 -16.549 0.175 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 -10.862 -9.484 23.758 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 -10.382 -10.244 23.428 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 -10.602 -9.434 24.678 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 -7.458 -13.598 -19.233 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 -7.818 -13.938 -18.413 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 -8.218 -13.288 -19.723 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 8.398 -10.540 -6.752 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 8.068 -9.690 -7.012 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 7.728 -10.900 -6.172 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 1.338 1.832 -16.136 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 1.058 2.142 -16.996 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 0.618 1.272 -15.836 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 6.793 15.069 22.489 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 7.643 14.659 22.639 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 6.413 15.159 23.359 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 -14.862 -16.474 11.379 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 -14.392 -17.184 11.809 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 -14.212 -16.094 10.779 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 -24.772 -8.900 -15.966 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 -24.122 -9.510 -16.306 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 -24.842 -9.120 -15.036 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 23.577 -20.618 -12.661 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 23.187 -20.558 -13.531 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 24.457 -20.968 -12.821 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 -13.938 19.944 -17.817 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 -13.188 19.974 -18.397 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 -13.568 19.824 -16.947 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 -9.207 -6.746 -3.094 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 -8.407 -6.376 -3.474 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 -9.157 -6.506 -2.164 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 -18.658 21.654 -1.121 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 -19.028 20.774 -1.061 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 -17.718 21.504 -1.231 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 24.988 10.755 -16.892 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 25.818 10.915 -17.332 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 24.928 11.435 -16.222 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 -3.282 -3.124 -3.891 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 -3.142 -3.774 -3.201 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 -3.562 -3.644 -4.651 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 -16.872 -11.783 23.755 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 -17.502 -12.233 23.195 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 -16.162 -12.413 23.885 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 6.786 -4.985 -15.356 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 6.556 -4.305 -15.996 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 7.746 -5.005 -15.376 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 5.153 -18.261 20.297 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 6.023 -18.661 20.417 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 5.253 -17.371 20.617 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 -21.036 -16.846 -20.150 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 -20.236 -17.326 -19.970 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 -21.736 -17.396 -19.800 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 -12.653 -19.513 21.009 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 -12.053 -19.983 21.589 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 -12.723 -18.643 21.389 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 22.671 -1.355 23.584 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 21.951 -1.405 24.214 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 23.450 -1.615 24.074 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 13.620 -0.541 17.670 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 14.240 -1.231 17.910 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 12.761 -0.961 17.730 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 -13.119 15.294 -4.768 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 -13.409 16.164 -5.058 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 -13.739 14.684 -5.168 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 -8.971 1.856 -24.936 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 -9.041 0.966 -24.576 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 -8.031 2.036 -24.926 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 8.189 21.414 9.889 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 8.729 20.964 10.539 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 8.379 22.344 10.029 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -16.183 -19.810 -9.614 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -17.123 -19.870 -9.764 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -16.003 -20.480 -8.954 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 7.193 4.299 -9.304 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 6.873 3.629 -8.694 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 8.073 3.999 -9.554 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 -13.612 -12.529 -4.614 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 -13.282 -11.729 -4.204 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 -14.452 -12.289 -4.984 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 14.324 -20.733 21.240 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 14.614 -21.533 20.790 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 13.374 -20.713 21.090 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 3.793 14.541 -18.573 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 2.913 14.881 -18.733 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 4.353 15.311 -18.533 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -14.029 8.608 9.221 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -13.279 8.098 8.911 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -14.749 7.978 9.271 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 -14.723 20.273 -14.625 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 -14.493 19.913 -13.765 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 -14.913 19.503 -15.165 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 18.776 12.044 -14.600 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 19.296 11.484 -14.020 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 18.236 11.434 -15.100 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 13.273 -0.524 -11.208 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 13.823 -0.934 -11.878 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 13.153 0.376 -11.518 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 1.474 9.934 17.289 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 1.174 10.764 17.669 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 0.794 9.704 16.649 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 12.368 -24.465 -2.874 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 13.278 -24.735 -2.754 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 11.858 -25.075 -2.334 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -15.755 -13.679 -23.778 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -16.385 -13.039 -23.448 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -15.905 -13.699 -24.728 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 2.927 18.066 22.803 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 3.067 17.556 22.013 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 2.107 18.536 22.643 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 4.314 -15.058 1.666 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 4.184 -15.868 1.176 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 4.884 -14.528 1.106 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 12.395 16.155 3.150 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 11.815 16.175 2.390 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 13.085 16.785 2.950 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -19.991 -0.234 -9.991 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -19.721 -0.104 -9.081 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -19.671 0.536 -10.451 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 10.065 0.873 -1.020 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 9.855 0.073 -0.540 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 10.445 0.573 -1.840 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 16.179 16.091 11.320 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 16.369 17.011 11.120 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 15.249 15.991 11.110 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 21.135 -10.102 6.074 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 20.645 -10.922 5.994 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 20.525 -9.492 6.484 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 8.314 18.289 -18.006 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 8.154 19.219 -18.146 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 9.184 18.239 -17.616 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 -23.133 24.666 20.516 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 -23.563 23.866 20.786 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 -23.403 24.796 19.606 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 21.459 1.007 -17.973 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 21.329 0.247 -17.403 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 20.629 1.477 -17.933 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 23.794 -3.098 -5.342 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 24.374 -3.028 -4.592 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 23.764 -4.038 -5.542 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 13.456 5.806 -5.029 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 14.106 6.196 -4.439 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 12.756 5.526 -4.449 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 6.944 18.333 18.746 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 7.234 17.573 19.256 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 6.834 18.003 17.856 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 23.381 7.744 -9.960 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 22.590 7.724 -10.500 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 23.861 6.954 -10.200 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 -15.465 -22.949 13.516 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 -15.165 -23.819 13.266 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 -14.985 -22.349 12.946 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 21.565 -23.090 24.535 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 21.995 -23.130 23.675 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 20.645 -23.290 24.345 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 -10.948 -12.963 -24.587 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 -10.768 -12.083 -24.907 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 -11.268 -12.823 -23.687 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 -9.574 22.260 -25.191 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 -8.664 22.020 -25.041 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 -9.634 23.160 -24.861 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 18.916 6.151 -14.674 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 19.286 5.271 -14.784 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 19.116 6.381 -13.764 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 11.136 19.195 5.807 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 11.676 18.445 6.047 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 10.256 18.975 6.107 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 -14.186 16.502 -9.798 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 -13.556 16.462 -10.508 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 -14.796 15.782 -9.968 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -23.268 8.037 0.019 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -23.388 7.717 -0.871 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -23.808 7.467 0.559 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 -10.809 -19.536 -22.904 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 -11.599 -19.896 -23.294 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 -11.109 -19.146 -22.074 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -9.249 10.751 -13.086 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -8.499 10.211 -13.336 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -9.349 11.371 -13.806 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -8.169 6.319 0.932 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -7.739 6.139 0.092 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -8.439 5.459 1.252 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 11.005 -7.476 -20.384 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 10.445 -7.846 -21.064 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 11.355 -6.676 -20.764 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 23.804 15.374 9.763 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 24.354 15.944 9.233 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 23.054 15.924 10.013 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 -15.581 -13.418 16.766 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 -16.241 -13.978 17.176 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 -15.851 -13.358 15.846 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 -23.738 -13.065 22.290 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 -23.388 -12.855 23.160 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 -23.468 -12.335 21.740 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 6.588 -13.102 -22.134 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 6.788 -13.592 -22.934 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 7.128 -13.512 -21.464 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 1.793 -13.639 7.686 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 2.603 -14.099 7.456 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 2.083 -12.799 8.036 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 6.266 14.848 12.340 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 7.036 14.548 12.830 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 6.016 15.668 12.750 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 14.646 1.327 19.121 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 14.436 0.857 18.321 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 15.596 1.267 19.191 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 -14.088 -15.419 -4.315 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 -13.908 -14.519 -4.035 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 -15.008 -15.419 -4.555 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 20.542 -15.419 22.159 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 21.182 -14.709 22.109 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 20.402 -15.679 21.249 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 4.514 -23.168 20.135 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 4.704 -23.128 19.195 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 5.374 -23.278 20.535 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 4.226 -14.533 -7.706 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 5.126 -14.343 -7.966 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 3.786 -14.793 -8.516 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 6.358 -22.478 -19.834 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 6.338 -23.068 -20.584 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 7.188 -22.658 -19.404 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 -2.095 4.217 -10.315 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 -1.655 5.057 -10.215 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 -3.035 4.437 -10.295 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 -7.813 -20.571 7.943 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 -8.633 -20.761 7.483 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 -8.073 -19.981 8.653 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 21.926 8.238 -5.294 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 22.666 8.228 -5.904 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 21.966 9.108 -4.894 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 -15.838 12.688 8.879 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 -15.018 12.238 9.099 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 -15.748 13.548 9.289 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 -4.916 -23.823 14.774 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 -5.256 -22.933 14.764 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 -4.656 -24.003 13.874 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 -14.362 9.377 15.511 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 -13.872 9.507 14.701 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 -14.802 8.537 15.391 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 -7.478 22.327 -6.462 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 -7.588 22.727 -7.332 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 -6.618 22.617 -6.172 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 24.411 -1.386 15.030 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 23.771 -2.096 15.060 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 24.921 -1.496 15.840 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 5.171 -20.614 -17.503 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 4.961 -20.964 -18.363 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 4.451 -20.924 -16.943 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 -25.226 -5.519 -10.543 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 -24.706 -4.889 -10.043 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 -24.596 -6.149 -10.873 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -22.119 -5.285 -3.917 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -22.279 -4.535 -3.347 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -22.439 -6.045 -3.427 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -18.176 24.682 -14.051 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -17.316 25.072 -14.221 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -18.086 24.272 -13.191 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 -22.771 -18.738 -11.412 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 -23.121 -18.738 -12.302 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 -22.431 -19.628 -11.292 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 -4.501 -17.853 -19.914 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 -3.901 -18.083 -20.614 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 -4.111 -17.083 -19.504 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 9.372 20.037 21.976 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 9.682 19.817 21.096 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 8.562 20.517 21.826 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 -5.358 9.135 -2.908 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 -5.528 8.825 -2.018 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 -6.048 8.735 -3.438 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 -20.506 -16.937 18.687 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 -20.106 -16.957 17.817 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 -21.186 -17.597 18.657 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 13.434 -9.953 9.935 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 13.344 -9.073 9.575 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 12.654 -10.073 10.485 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -7.236 23.420 7.666 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -6.896 23.930 8.406 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -6.596 22.720 7.546 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 -19.942 -23.482 22.092 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 -19.032 -23.392 22.362 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 -19.922 -24.092 21.352 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 6.248 -23.470 0.836 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 5.708 -24.010 0.266 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 5.698 -23.290 1.596 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 21.133 18.679 -0.692 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 20.513 18.349 -1.342 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 21.683 17.929 -0.482 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 21.307 -0.542 0.460 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 20.647 -0.432 1.150 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 22.127 -0.272 0.880 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 -8.661 -17.080 22.167 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 -8.881 -16.870 21.257 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 -9.431 -16.800 22.667 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 -18.534 -17.170 1.668 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 -18.344 -16.450 2.268 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 -17.764 -17.210 1.098 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 14.158 18.439 -18.471 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 14.018 17.879 -19.241 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 13.348 18.939 -18.391 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 0.952 -14.556 -1.959 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 1.692 -14.596 -2.559 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 0.862 -13.636 -1.739 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 17.844 19.065 -10.592 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 17.134 19.205 -9.962 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 17.924 19.905 -11.052 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 14.278 17.701 -9.996 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 15.038 18.291 -9.996 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 14.138 17.501 -10.916 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 21.243 4.446 -16.941 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 20.383 4.236 -17.311 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 21.233 4.076 -16.061 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 -7.845 13.180 -24.264 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 -8.655 13.210 -23.754 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 -7.155 13.010 -23.624 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 -4.661 24.386 -24.622 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 -4.351 25.136 -25.142 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 -3.941 23.766 -24.642 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 9.121 -1.835 5.127 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 9.811 -1.995 5.777 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 8.901 -0.915 5.237 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 6.748 -20.748 -11.357 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 6.228 -21.438 -10.937 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 7.408 -20.508 -10.697 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 19.911 21.423 -5.844 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 20.041 20.663 -5.274 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 19.311 21.983 -5.354 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -0.249 -11.839 -2.118 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -0.609 -10.969 -1.978 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -0.999 -12.379 -2.368 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 24.565 -15.839 2.106 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 24.725 -16.429 1.366 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 23.885 -16.269 2.626 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 12.426 11.757 -22.805 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 11.856 11.327 -23.435 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 12.576 12.627 -23.175 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 0.715 -15.033 16.073 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 -0.185 -14.983 16.413 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 1.165 -14.293 16.493 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 4.873 6.739 21.023 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 4.713 7.229 20.223 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 4.693 5.829 20.793 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 -12.216 10.081 -23.840 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 -11.586 9.361 -23.880 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 -12.796 9.851 -23.110 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -4.609 8.955 -6.187 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -3.819 9.005 -6.717 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -4.389 9.435 -5.387 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 -4.704 20.570 23.611 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 -5.044 19.920 23.001 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 -4.094 20.080 24.161 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 0.877 6.342 -3.890 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 1.017 5.412 -3.720 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 1.017 6.432 -4.840 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 5.118 -21.658 -22.474 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 5.278 -21.858 -21.554 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 4.388 -22.218 -22.714 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 -21.585 -6.068 7.242 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 -22.085 -5.428 7.752 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 -21.395 -6.778 7.852 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 1.198 13.230 12.253 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 0.848 13.680 11.493 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 2.038 12.880 11.953 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 18.475 -14.290 -20.057 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 19.015 -14.880 -20.597 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 18.195 -13.600 -20.667 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -22.826 -4.461 -18.274 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -22.626 -4.911 -19.094 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -22.926 -5.171 -17.634 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 22.491 -16.601 -20.567 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 23.421 -16.581 -20.347 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 22.061 -16.811 -19.737 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 6.518 20.562 5.190 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 6.768 20.242 4.320 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 7.348 20.712 5.640 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 1.785 -0.828 -3.684 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 1.135 -1.438 -4.034 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 1.345 0.022 -3.694 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 -2.572 9.189 -11.175 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 -2.602 9.799 -10.435 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 -2.462 9.749 -11.945 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 -15.193 14.773 6.743 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 -14.463 14.153 6.763 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 -15.673 14.593 7.553 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 -12.084 -7.442 10.307 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 -12.244 -7.522 11.247 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 -11.734 -6.562 10.197 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -21.242 5.571 14.128 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -21.532 6.461 14.328 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -20.822 5.271 14.928 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 -21.509 23.239 14.535 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 -20.939 23.369 15.285 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 -21.039 22.609 13.985 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 -24.703 23.502 4.060 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 -24.363 23.582 4.950 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 -25.553 23.082 4.160 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 24.731 22.863 20.204 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 25.331 22.133 20.014 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 24.180 22.933 19.424 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 -5.181 5.682 -15.768 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 -4.561 5.612 -16.498 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 -5.971 5.242 -16.078 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 11.212 24.722 0.909 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 10.312 24.532 0.639 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 11.542 23.882 1.229 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -22.189 11.710 -2.084 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -21.689 11.690 -2.904 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -22.369 12.640 -1.934 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 6.415 -2.148 17.749 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 5.745 -1.618 18.199 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 6.235 -3.048 18.019 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 -0.494 -18.606 10.632 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 -1.024 -19.396 10.662 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 0.406 -18.906 10.792 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 6.789 5.866 -2.932 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 7.419 6.566 -3.102 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 7.219 5.076 -3.242 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 -13.620 -9.666 -17.641 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 -14.540 -9.406 -17.681 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 -13.639 -10.626 -17.691 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -1.797 5.992 13.929 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -2.387 5.372 14.349 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -1.427 5.512 13.189 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 21.757 -22.080 -6.537 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 22.287 -21.320 -6.767 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 21.107 -21.750 -5.917 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 -11.224 21.903 -2.828 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 -11.094 20.953 -2.928 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 -10.454 22.193 -2.348 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 18.894 -22.901 -5.521 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 19.564 -23.481 -5.901 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 19.054 -22.051 -5.931 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 -10.107 15.697 -4.884 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 -9.837 15.257 -4.074 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 -11.017 15.427 -5.004 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -18.649 8.445 19.464 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -19.099 7.725 19.894 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -17.919 8.655 20.054 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -13.846 -24.853 16.632 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -13.346 -24.153 17.072 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -13.266 -25.173 15.952 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 -24.693 1.913 15.757 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 -24.073 2.623 15.587 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 -24.463 1.233 15.127 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 10.339 11.467 6.909 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 11.279 11.647 6.939 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 10.089 11.637 5.999 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -17.236 -18.401 -15.191 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -17.316 -17.941 -14.361 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -17.956 -19.041 -15.181 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -13.742 -14.476 -8.542 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -14.192 -15.116 -9.092 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -14.352 -13.746 -8.462 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 -11.175 6.022 9.709 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 -10.715 5.202 9.909 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 -10.495 6.692 9.759 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 2.614 -23.242 -14.600 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 3.504 -23.502 -14.850 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 2.604 -23.322 -13.650 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 15.202 -18.807 2.616 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 15.472 -17.897 2.536 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 14.252 -18.787 2.506 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 -18.128 19.962 -10.058 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 -18.048 20.032 -9.108 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 -18.608 19.152 -10.198 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 -8.852 25.282 20.877 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 -8.582 24.502 21.367 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 -8.542 25.122 19.987 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 -17.335 -24.686 24.823 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -17.695 -25.566 24.773 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 -17.085 -24.476 23.923 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 -15.822 10.909 -18.960 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 -16.072 10.219 -18.350 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 -16.222 11.699 -18.600 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 24.187 19.958 -14.615 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 24.927 20.128 -15.195 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 23.767 20.808 -14.515 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 2.398 -19.254 19.841 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 1.968 -18.734 19.151 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 3.178 -18.744 20.061 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -12.168 0.831 -21.810 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -12.208 0.041 -21.280 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -12.798 0.671 -22.520 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 20.698 12.613 23.397 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 20.388 12.173 24.197 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 19.968 12.523 22.787 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 20.153 8.574 4.711 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 20.463 8.044 5.441 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 19.933 7.934 4.031 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 12.532 21.669 -19.222 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 12.822 22.329 -19.852 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 13.052 21.839 -18.432 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 21.929 -16.467 19.750 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 22.669 -16.987 19.430 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 22.189 -15.557 19.600 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 20.118 6.052 18.708 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 19.928 6.772 18.108 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 20.808 5.552 18.268 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 -6.505 -15.003 22.485 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 -6.965 -15.783 22.795 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 -7.175 -14.323 22.445 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 22.338 -11.166 -22.021 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 22.198 -12.106 -22.031 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 21.458 -10.796 -21.871 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -11.235 11.262 13.957 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -11.005 10.812 14.767 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -12.065 11.712 14.157 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -2.668 1.950 9.094 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -2.148 1.250 8.714 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -3.368 1.500 9.574 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 6.923 -1.909 -0.704 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 7.153 -1.959 -1.634 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 7.623 -1.399 -0.304 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 -9.701 -10.064 -24.161 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 -8.851 -10.464 -23.951 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 -10.091 -9.864 -23.311 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -17.072 -22.204 10.661 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -17.292 -23.104 10.901 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -16.802 -22.254 9.741 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 -1.815 21.752 -23.100 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 -1.665 22.302 -23.870 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 -1.595 22.312 -22.360 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 -1.886 -10.177 21.450 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 -1.306 -10.217 20.690 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 -2.756 -10.397 21.100 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 -4.535 -18.621 -6.054 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 -4.285 -19.011 -6.884 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 -5.495 -18.621 -6.074 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 5.092 23.285 22.297 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 5.122 23.875 23.047 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 4.572 23.755 21.647 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 -6.587 7.032 22.248 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 -5.697 6.682 22.258 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 -7.057 6.472 21.638 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 15.360 1.412 23.829 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 15.511 2.342 23.659 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 14.441 1.272 23.599 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 10.704 -5.406 5.859 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 10.514 -5.286 4.929 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 11.564 -5.016 5.989 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 14.509 19.484 18.703 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 15.129 18.754 18.703 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 14.979 20.194 18.263 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 14.862 -24.198 15.461 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 14.832 -23.258 15.301 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 14.832 -24.598 14.591 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 -9.743 4.407 -13.433 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 -10.673 4.247 -13.323 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 -9.513 4.997 -12.713 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 -16.534 -6.206 18.759 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 -16.344 -5.296 18.539 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 -16.494 -6.666 17.929 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 -1.966 -3.173 -13.660 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 -1.166 -3.073 -13.130 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 -2.646 -3.383 -13.030 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 22.609 -6.802 -0.008 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 22.709 -7.192 -0.878 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 21.739 -7.092 0.282 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 25.155 -5.097 -13.511 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 25.275 -6.037 -13.361 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 24.685 -4.787 -12.741 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 19.277 23.808 -11.443 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 19.037 23.328 -10.643 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 19.977 23.278 -11.833 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -8.888 25.182 -13.444 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -7.948 25.322 -13.334 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -8.968 24.792 -14.314 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 10.843 -24.379 5.694 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 9.883 -24.419 5.644 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 11.023 -24.119 6.594 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 -22.585 17.785 3.550 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 -23.355 17.225 3.550 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 -22.935 18.675 3.470 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 13.735 25.617 1.473 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 12.845 25.327 1.283 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 13.935 25.237 2.333 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 15.432 3.572 -15.924 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 15.772 3.903 -15.104 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 16.132 3.023 -16.274 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 -16.019 5.799 -5.060 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 -16.549 5.179 -4.560 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 -16.449 5.849 -5.910 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 3.689 12.182 16.693 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 3.029 12.512 17.303 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 3.889 12.922 16.123 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -17.198 -14.590 14.630 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -17.848 -13.890 14.690 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -17.688 -15.390 14.840 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 9.658 8.772 24.403 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 10.078 9.042 25.223 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 8.818 8.402 24.673 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 -15.672 -7.009 -18.108 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 -15.092 -7.259 -17.388 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 -16.372 -6.499 -17.688 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 8.724 -5.600 -18.911 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 8.984 -5.020 -19.631 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 9.534 -5.780 -18.441 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 18.047 0.696 -11.933 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 18.317 0.866 -12.833 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 17.447 1.416 -11.733 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 23.902 21.791 -18.037 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 23.772 20.921 -18.417 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 24.682 22.131 -18.477 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 21.431 -21.743 9.588 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 22.081 -21.913 8.908 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 20.781 -21.183 9.168 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 -9.993 15.909 21.311 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 -10.673 16.269 20.751 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 -9.573 16.669 21.711 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 9.438 -19.963 24.021 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 9.568 -20.293 24.911 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 9.808 -20.633 23.451 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 -5.201 -22.789 23.078 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 -4.391 -23.299 23.108 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 -5.881 -23.439 22.888 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 17.124 15.601 -3.317 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 17.944 16.011 -3.587 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 17.334 15.161 -2.497 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 14.676 21.628 -13.530 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 14.916 20.938 -14.150 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 15.506 21.938 -13.180 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 19.198 -21.052 -25.372 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 18.808 -20.182 -25.432 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 19.758 -21.002 -24.592 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 -2.864 -20.127 18.323 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 -3.454 -19.407 18.143 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 -1.994 -19.807 18.063 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 10.092 21.740 16.559 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 10.172 21.770 17.519 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 10.362 22.610 16.279 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 23.193 -11.852 -25.379 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 23.253 -11.342 -24.569 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 23.073 -12.752 -25.079 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -10.374 -14.256 -20.664 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -10.384 -15.186 -20.884 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -10.784 -14.196 -19.804 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 9.887 7.946 -22.563 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 9.377 8.446 -21.923 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 9.267 7.336 -22.943 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 18.672 -8.338 -2.851 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 18.822 -9.278 -2.911 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 18.152 -8.128 -3.631 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 -18.313 -6.048 10.636 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 -18.213 -5.548 11.446 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 -17.433 -6.378 10.446 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -24.413 -6.341 -21.397 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -24.163 -7.231 -21.127 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -23.883 -5.771 -20.847 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 21.050 11.815 -24.360 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 21.701 11.115 -24.260 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 20.261 11.465 -23.950 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 9.679 -14.189 -4.071 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 8.829 -14.539 -3.811 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 9.749 -14.409 -5.001 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 -19.905 -17.938 15.849 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 -18.975 -17.878 16.089 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 -20.105 -18.868 15.939 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 24.309 9.413 19.412 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 24.089 8.973 20.232 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 23.539 9.303 18.862 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 -9.801 -1.940 11.364 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 -9.631 -2.650 11.984 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 -9.001 -1.420 11.364 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 15.165 11.059 -12.591 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 15.005 11.859 -12.091 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 14.775 10.369 -12.051 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 16.483 -14.392 21.659 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 15.733 -14.962 21.799 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 17.153 -14.972 21.289 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 10.848 6.727 2.248 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 10.798 6.187 3.038 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 11.728 6.547 1.898 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 -17.823 9.092 -3.527 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 -16.943 9.162 -3.907 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 -17.673 9.122 -2.587 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 -1.412 18.549 20.317 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 16.179 3.764 10.599 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 23.542 18.781 2.894 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 -5.894 4.549 -1.102 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 -10.817 -9.486 -21.368 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 17.373 1.279 -16.924 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 -19.547 0.930 -21.947 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -12.731 -14.567 9.711 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 22.435 9.452 15.346 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 18.843 -9.898 -22.238 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 25.066 -14.492 16.460 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 24.703 11.243 -12.986 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 -11.689 -14.992 -7.564 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 -15.593 -14.729 13.099 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -24.055 10.347 19.326 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 18.553 0.256 -19.644 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 12.197 8.592 14.469 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/input/e1s3_ntl9_1ns_2/structure.psf b/adaptivemd/input/e1s3_ntl9_1ns_2/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/input/e1s3_ntl9_1ns_2/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 0 + 750 WT0 129 TIP3 H1 HT 0.417000 1.0080 0 + 751 WT0 129 TIP3 H2 HT 0.417000 1.0080 0 + 752 WT0 130 TIP3 OH2 OT -0.834000 15.9994 0 + 753 WT0 130 TIP3 H1 HT 0.417000 1.0080 0 + 754 WT0 130 TIP3 H2 HT 0.417000 1.0080 0 + 755 WT0 133 TIP3 OH2 OT -0.834000 15.9994 0 + 756 WT0 133 TIP3 H1 HT 0.417000 1.0080 0 + 757 WT0 133 TIP3 H2 HT 0.417000 1.0080 0 + 758 WT0 134 TIP3 OH2 OT -0.834000 15.9994 0 + 759 WT0 134 TIP3 H1 HT 0.417000 1.0080 0 + 760 WT0 134 TIP3 H2 HT 0.417000 1.0080 0 + 761 WT0 135 TIP3 OH2 OT -0.834000 15.9994 0 + 762 WT0 135 TIP3 H1 HT 0.417000 1.0080 0 + 763 WT0 135 TIP3 H2 HT 0.417000 1.0080 0 + 764 WT0 137 TIP3 OH2 OT -0.834000 15.9994 0 + 765 WT0 137 TIP3 H1 HT 0.417000 1.0080 0 + 766 WT0 137 TIP3 H2 HT 0.417000 1.0080 0 + 767 WT0 145 TIP3 OH2 OT -0.834000 15.9994 0 + 768 WT0 145 TIP3 H1 HT 0.417000 1.0080 0 + 769 WT0 145 TIP3 H2 HT 0.417000 1.0080 0 + 770 WT0 146 TIP3 OH2 OT -0.834000 15.9994 0 + 771 WT0 146 TIP3 H1 HT 0.417000 1.0080 0 + 772 WT0 146 TIP3 H2 HT 0.417000 1.0080 0 + 773 WT0 149 TIP3 OH2 OT -0.834000 15.9994 0 + 774 WT0 149 TIP3 H1 HT 0.417000 1.0080 0 + 775 WT0 149 TIP3 H2 HT 0.417000 1.0080 0 + 776 WT0 150 TIP3 OH2 OT -0.834000 15.9994 0 + 777 WT0 150 TIP3 H1 HT 0.417000 1.0080 0 + 778 WT0 150 TIP3 H2 HT 0.417000 1.0080 0 + 779 WT0 152 TIP3 OH2 OT -0.834000 15.9994 0 + 780 WT0 152 TIP3 H1 HT 0.417000 1.0080 0 + 781 WT0 152 TIP3 H2 HT 0.417000 1.0080 0 + 782 WT0 153 TIP3 OH2 OT -0.834000 15.9994 0 + 783 WT0 153 TIP3 H1 HT 0.417000 1.0080 0 + 784 WT0 153 TIP3 H2 HT 0.417000 1.0080 0 + 785 WT0 155 TIP3 OH2 OT -0.834000 15.9994 0 + 786 WT0 155 TIP3 H1 HT 0.417000 1.0080 0 + 787 WT0 155 TIP3 H2 HT 0.417000 1.0080 0 + 788 WT0 156 TIP3 OH2 OT -0.834000 15.9994 0 + 789 WT0 156 TIP3 H1 HT 0.417000 1.0080 0 + 790 WT0 156 TIP3 H2 HT 0.417000 1.0080 0 + 791 WT0 160 TIP3 OH2 OT -0.834000 15.9994 0 + 792 WT0 160 TIP3 H1 HT 0.417000 1.0080 0 + 793 WT0 160 TIP3 H2 HT 0.417000 1.0080 0 + 794 WT0 162 TIP3 OH2 OT -0.834000 15.9994 0 + 795 WT0 162 TIP3 H1 HT 0.417000 1.0080 0 + 796 WT0 162 TIP3 H2 HT 0.417000 1.0080 0 + 797 WT0 163 TIP3 OH2 OT -0.834000 15.9994 0 + 798 WT0 163 TIP3 H1 HT 0.417000 1.0080 0 + 799 WT0 163 TIP3 H2 HT 0.417000 1.0080 0 + 800 WT0 167 TIP3 OH2 OT -0.834000 15.9994 0 + 801 WT0 167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 + 818 WT0 190 TIP3 OH2 OT -0.834000 15.9994 0 + 819 WT0 190 TIP3 H1 HT 0.417000 1.0080 0 + 820 WT0 190 TIP3 H2 HT 0.417000 1.0080 0 + 821 WT0 191 TIP3 OH2 OT -0.834000 15.9994 0 + 822 WT0 191 TIP3 H1 HT 0.417000 1.0080 0 + 823 WT0 191 TIP3 H2 HT 0.417000 1.0080 0 + 824 WT0 195 TIP3 OH2 OT -0.834000 15.9994 0 + 825 WT0 195 TIP3 H1 HT 0.417000 1.0080 0 + 826 WT0 195 TIP3 H2 HT 0.417000 1.0080 0 + 827 WT0 196 TIP3 OH2 OT -0.834000 15.9994 0 + 828 WT0 196 TIP3 H1 HT 0.417000 1.0080 0 + 829 WT0 196 TIP3 H2 HT 0.417000 1.0080 0 + 830 WT0 198 TIP3 OH2 OT -0.834000 15.9994 0 + 831 WT0 198 TIP3 H1 HT 0.417000 1.0080 0 + 832 WT0 198 TIP3 H2 HT 0.417000 1.0080 0 + 833 WT0 201 TIP3 OH2 OT -0.834000 15.9994 0 + 834 WT0 201 TIP3 H1 HT 0.417000 1.0080 0 + 835 WT0 201 TIP3 H2 HT 0.417000 1.0080 0 + 836 WT0 202 TIP3 OH2 OT -0.834000 15.9994 0 + 837 WT0 202 TIP3 H1 HT 0.417000 1.0080 0 + 838 WT0 202 TIP3 H2 HT 0.417000 1.0080 0 + 839 WT0 205 TIP3 OH2 OT -0.834000 15.9994 0 + 840 WT0 205 TIP3 H1 HT 0.417000 1.0080 0 + 841 WT0 205 TIP3 H2 HT 0.417000 1.0080 0 + 842 WT0 206 TIP3 OH2 OT -0.834000 15.9994 0 + 843 WT0 206 TIP3 H1 HT 0.417000 1.0080 0 + 844 WT0 206 TIP3 H2 HT 0.417000 1.0080 0 + 845 WT0 212 TIP3 OH2 OT -0.834000 15.9994 0 + 846 WT0 212 TIP3 H1 HT 0.417000 1.0080 0 + 847 WT0 212 TIP3 H2 HT 0.417000 1.0080 0 + 848 WT0 222 TIP3 OH2 OT -0.834000 15.9994 0 + 849 WT0 222 TIP3 H1 HT 0.417000 1.0080 0 + 850 WT0 222 TIP3 H2 HT 0.417000 1.0080 0 + 851 WT0 225 TIP3 OH2 OT -0.834000 15.9994 0 + 852 WT0 225 TIP3 H1 HT 0.417000 1.0080 0 + 853 WT0 225 TIP3 H2 HT 0.417000 1.0080 0 + 854 WT0 231 TIP3 OH2 OT -0.834000 15.9994 0 + 855 WT0 231 TIP3 H1 HT 0.417000 1.0080 0 + 856 WT0 231 TIP3 H2 HT 0.417000 1.0080 0 + 857 WT0 235 TIP3 OH2 OT -0.834000 15.9994 0 + 858 WT0 235 TIP3 H1 HT 0.417000 1.0080 0 + 859 WT0 235 TIP3 H2 HT 0.417000 1.0080 0 + 860 WT0 237 TIP3 OH2 OT -0.834000 15.9994 0 + 861 WT0 237 TIP3 H1 HT 0.417000 1.0080 0 + 862 WT0 237 TIP3 H2 HT 0.417000 1.0080 0 + 863 WT0 238 TIP3 OH2 OT -0.834000 15.9994 0 + 864 WT0 238 TIP3 H1 HT 0.417000 1.0080 0 + 865 WT0 238 TIP3 H2 HT 0.417000 1.0080 0 + 866 WT0 239 TIP3 OH2 OT -0.834000 15.9994 0 + 867 WT0 239 TIP3 H1 HT 0.417000 1.0080 0 + 868 WT0 239 TIP3 H2 HT 0.417000 1.0080 0 + 869 WT0 252 TIP3 OH2 OT -0.834000 15.9994 0 + 870 WT0 252 TIP3 H1 HT 0.417000 1.0080 0 + 871 WT0 252 TIP3 H2 HT 0.417000 1.0080 0 + 872 WT0 253 TIP3 OH2 OT -0.834000 15.9994 0 + 873 WT0 253 TIP3 H1 HT 0.417000 1.0080 0 + 874 WT0 253 TIP3 H2 HT 0.417000 1.0080 0 + 875 WT0 255 TIP3 OH2 OT -0.834000 15.9994 0 + 876 WT0 255 TIP3 H1 HT 0.417000 1.0080 0 + 877 WT0 255 TIP3 H2 HT 0.417000 1.0080 0 + 878 WT0 257 TIP3 OH2 OT -0.834000 15.9994 0 + 879 WT0 257 TIP3 H1 HT 0.417000 1.0080 0 + 880 WT0 257 TIP3 H2 HT 0.417000 1.0080 0 + 881 WT0 258 TIP3 OH2 OT -0.834000 15.9994 0 + 882 WT0 258 TIP3 H1 HT 0.417000 1.0080 0 + 883 WT0 258 TIP3 H2 HT 0.417000 1.0080 0 + 884 WT0 259 TIP3 OH2 OT -0.834000 15.9994 0 + 885 WT0 259 TIP3 H1 HT 0.417000 1.0080 0 + 886 WT0 259 TIP3 H2 HT 0.417000 1.0080 0 + 887 WT0 261 TIP3 OH2 OT -0.834000 15.9994 0 + 888 WT0 261 TIP3 H1 HT 0.417000 1.0080 0 + 889 WT0 261 TIP3 H2 HT 0.417000 1.0080 0 + 890 WT0 262 TIP3 OH2 OT -0.834000 15.9994 0 + 891 WT0 262 TIP3 H1 HT 0.417000 1.0080 0 + 892 WT0 262 TIP3 H2 HT 0.417000 1.0080 0 + 893 WT0 267 TIP3 OH2 OT -0.834000 15.9994 0 + 894 WT0 267 TIP3 H1 HT 0.417000 1.0080 0 + 895 WT0 267 TIP3 H2 HT 0.417000 1.0080 0 + 896 WT0 281 TIP3 OH2 OT -0.834000 15.9994 0 + 897 WT0 281 TIP3 H1 HT 0.417000 1.0080 0 + 898 WT0 281 TIP3 H2 HT 0.417000 1.0080 0 + 899 WT0 282 TIP3 OH2 OT -0.834000 15.9994 0 + 900 WT0 282 TIP3 H1 HT 0.417000 1.0080 0 + 901 WT0 282 TIP3 H2 HT 0.417000 1.0080 0 + 902 WT0 284 TIP3 OH2 OT -0.834000 15.9994 0 + 903 WT0 284 TIP3 H1 HT 0.417000 1.0080 0 + 904 WT0 284 TIP3 H2 HT 0.417000 1.0080 0 + 905 WT0 285 TIP3 OH2 OT -0.834000 15.9994 0 + 906 WT0 285 TIP3 H1 HT 0.417000 1.0080 0 + 907 WT0 285 TIP3 H2 HT 0.417000 1.0080 0 + 908 WT0 295 TIP3 OH2 OT -0.834000 15.9994 0 + 909 WT0 295 TIP3 H1 HT 0.417000 1.0080 0 + 910 WT0 295 TIP3 H2 HT 0.417000 1.0080 0 + 911 WT0 302 TIP3 OH2 OT -0.834000 15.9994 0 + 912 WT0 302 TIP3 H1 HT 0.417000 1.0080 0 + 913 WT0 302 TIP3 H2 HT 0.417000 1.0080 0 + 914 WT0 306 TIP3 OH2 OT -0.834000 15.9994 0 + 915 WT0 306 TIP3 H1 HT 0.417000 1.0080 0 + 916 WT0 306 TIP3 H2 HT 0.417000 1.0080 0 + 917 WT0 316 TIP3 OH2 OT -0.834000 15.9994 0 + 918 WT0 316 TIP3 H1 HT 0.417000 1.0080 0 + 919 WT0 316 TIP3 H2 HT 0.417000 1.0080 0 + 920 WT0 322 TIP3 OH2 OT -0.834000 15.9994 0 + 921 WT0 322 TIP3 H1 HT 0.417000 1.0080 0 + 922 WT0 322 TIP3 H2 HT 0.417000 1.0080 0 + 923 WT0 325 TIP3 OH2 OT -0.834000 15.9994 0 + 924 WT0 325 TIP3 H1 HT 0.417000 1.0080 0 + 925 WT0 325 TIP3 H2 HT 0.417000 1.0080 0 + 926 WT0 327 TIP3 OH2 OT -0.834000 15.9994 0 + 927 WT0 327 TIP3 H1 HT 0.417000 1.0080 0 + 928 WT0 327 TIP3 H2 HT 0.417000 1.0080 0 + 929 WT0 328 TIP3 OH2 OT -0.834000 15.9994 0 + 930 WT0 328 TIP3 H1 HT 0.417000 1.0080 0 + 931 WT0 328 TIP3 H2 HT 0.417000 1.0080 0 + 932 WT0 332 TIP3 OH2 OT -0.834000 15.9994 0 + 933 WT0 332 TIP3 H1 HT 0.417000 1.0080 0 + 934 WT0 332 TIP3 H2 HT 0.417000 1.0080 0 + 935 WT0 338 TIP3 OH2 OT -0.834000 15.9994 0 + 936 WT0 338 TIP3 H1 HT 0.417000 1.0080 0 + 937 WT0 338 TIP3 H2 HT 0.417000 1.0080 0 + 938 WT0 344 TIP3 OH2 OT -0.834000 15.9994 0 + 939 WT0 344 TIP3 H1 HT 0.417000 1.0080 0 + 940 WT0 344 TIP3 H2 HT 0.417000 1.0080 0 + 941 WT0 361 TIP3 OH2 OT -0.834000 15.9994 0 + 942 WT0 361 TIP3 H1 HT 0.417000 1.0080 0 + 943 WT0 361 TIP3 H2 HT 0.417000 1.0080 0 + 944 WT0 365 TIP3 OH2 OT -0.834000 15.9994 0 + 945 WT0 365 TIP3 H1 HT 0.417000 1.0080 0 + 946 WT0 365 TIP3 H2 HT 0.417000 1.0080 0 + 947 WT0 367 TIP3 OH2 OT -0.834000 15.9994 0 + 948 WT0 367 TIP3 H1 HT 0.417000 1.0080 0 + 949 WT0 367 TIP3 H2 HT 0.417000 1.0080 0 + 950 WT0 368 TIP3 OH2 OT -0.834000 15.9994 0 + 951 WT0 368 TIP3 H1 HT 0.417000 1.0080 0 + 952 WT0 368 TIP3 H2 HT 0.417000 1.0080 0 + 953 WT0 369 TIP3 OH2 OT -0.834000 15.9994 0 + 954 WT0 369 TIP3 H1 HT 0.417000 1.0080 0 + 955 WT0 369 TIP3 H2 HT 0.417000 1.0080 0 + 956 WT0 391 TIP3 OH2 OT -0.834000 15.9994 0 + 957 WT0 391 TIP3 H1 HT 0.417000 1.0080 0 + 958 WT0 391 TIP3 H2 HT 0.417000 1.0080 0 + 959 WT0 403 TIP3 OH2 OT -0.834000 15.9994 0 + 960 WT0 403 TIP3 H1 HT 0.417000 1.0080 0 + 961 WT0 403 TIP3 H2 HT 0.417000 1.0080 0 + 962 WT0 409 TIP3 OH2 OT -0.834000 15.9994 0 + 963 WT0 409 TIP3 H1 HT 0.417000 1.0080 0 + 964 WT0 409 TIP3 H2 HT 0.417000 1.0080 0 + 965 WT0 411 TIP3 OH2 OT -0.834000 15.9994 0 + 966 WT0 411 TIP3 H1 HT 0.417000 1.0080 0 + 967 WT0 411 TIP3 H2 HT 0.417000 1.0080 0 + 968 WT0 424 TIP3 OH2 OT -0.834000 15.9994 0 + 969 WT0 424 TIP3 H1 HT 0.417000 1.0080 0 + 970 WT0 424 TIP3 H2 HT 0.417000 1.0080 0 + 971 WT0 432 TIP3 OH2 OT -0.834000 15.9994 0 + 972 WT0 432 TIP3 H1 HT 0.417000 1.0080 0 + 973 WT0 432 TIP3 H2 HT 0.417000 1.0080 0 + 974 WT0 438 TIP3 OH2 OT -0.834000 15.9994 0 + 975 WT0 438 TIP3 H1 HT 0.417000 1.0080 0 + 976 WT0 438 TIP3 H2 HT 0.417000 1.0080 0 + 977 WT0 442 TIP3 OH2 OT -0.834000 15.9994 0 + 978 WT0 442 TIP3 H1 HT 0.417000 1.0080 0 + 979 WT0 442 TIP3 H2 HT 0.417000 1.0080 0 + 980 WT0 443 TIP3 OH2 OT -0.834000 15.9994 0 + 981 WT0 443 TIP3 H1 HT 0.417000 1.0080 0 + 982 WT0 443 TIP3 H2 HT 0.417000 1.0080 0 + 983 WT0 446 TIP3 OH2 OT -0.834000 15.9994 0 + 984 WT0 446 TIP3 H1 HT 0.417000 1.0080 0 + 985 WT0 446 TIP3 H2 HT 0.417000 1.0080 0 + 986 WT0 450 TIP3 OH2 OT -0.834000 15.9994 0 + 987 WT0 450 TIP3 H1 HT 0.417000 1.0080 0 + 988 WT0 450 TIP3 H2 HT 0.417000 1.0080 0 + 989 WT0 452 TIP3 OH2 OT -0.834000 15.9994 0 + 990 WT0 452 TIP3 H1 HT 0.417000 1.0080 0 + 991 WT0 452 TIP3 H2 HT 0.417000 1.0080 0 + 992 WT0 457 TIP3 OH2 OT -0.834000 15.9994 0 + 993 WT0 457 TIP3 H1 HT 0.417000 1.0080 0 + 994 WT0 457 TIP3 H2 HT 0.417000 1.0080 0 + 995 WT0 465 TIP3 OH2 OT -0.834000 15.9994 0 + 996 WT0 465 TIP3 H1 HT 0.417000 1.0080 0 + 997 WT0 465 TIP3 H2 HT 0.417000 1.0080 0 + 998 WT0 466 TIP3 OH2 OT -0.834000 15.9994 0 + 999 WT0 466 TIP3 H1 HT 0.417000 1.0080 0 + 1000 WT0 466 TIP3 H2 HT 0.417000 1.0080 0 + 1001 WT0 469 TIP3 OH2 OT -0.834000 15.9994 0 + 1002 WT0 469 TIP3 H1 HT 0.417000 1.0080 0 + 1003 WT0 469 TIP3 H2 HT 0.417000 1.0080 0 + 1004 WT0 479 TIP3 OH2 OT -0.834000 15.9994 0 + 1005 WT0 479 TIP3 H1 HT 0.417000 1.0080 0 + 1006 WT0 479 TIP3 H2 HT 0.417000 1.0080 0 + 1007 WT0 484 TIP3 OH2 OT -0.834000 15.9994 0 + 1008 WT0 484 TIP3 H1 HT 0.417000 1.0080 0 + 1009 WT0 484 TIP3 H2 HT 0.417000 1.0080 0 + 1010 WT0 485 TIP3 OH2 OT -0.834000 15.9994 0 + 1011 WT0 485 TIP3 H1 HT 0.417000 1.0080 0 + 1012 WT0 485 TIP3 H2 HT 0.417000 1.0080 0 + 1013 WT0 486 TIP3 OH2 OT -0.834000 15.9994 0 + 1014 WT0 486 TIP3 H1 HT 0.417000 1.0080 0 + 1015 WT0 486 TIP3 H2 HT 0.417000 1.0080 0 + 1016 WT0 489 TIP3 OH2 OT -0.834000 15.9994 0 + 1017 WT0 489 TIP3 H1 HT 0.417000 1.0080 0 + 1018 WT0 489 TIP3 H2 HT 0.417000 1.0080 0 + 1019 WT0 490 TIP3 OH2 OT -0.834000 15.9994 0 + 1020 WT0 490 TIP3 H1 HT 0.417000 1.0080 0 + 1021 WT0 490 TIP3 H2 HT 0.417000 1.0080 0 + 1022 WT0 491 TIP3 OH2 OT -0.834000 15.9994 0 + 1023 WT0 491 TIP3 H1 HT 0.417000 1.0080 0 + 1024 WT0 491 TIP3 H2 HT 0.417000 1.0080 0 + 1025 WT0 493 TIP3 OH2 OT -0.834000 15.9994 0 + 1026 WT0 493 TIP3 H1 HT 0.417000 1.0080 0 + 1027 WT0 493 TIP3 H2 HT 0.417000 1.0080 0 + 1028 WT0 494 TIP3 OH2 OT -0.834000 15.9994 0 + 1029 WT0 494 TIP3 H1 HT 0.417000 1.0080 0 + 1030 WT0 494 TIP3 H2 HT 0.417000 1.0080 0 + 1031 WT0 495 TIP3 OH2 OT -0.834000 15.9994 0 + 1032 WT0 495 TIP3 H1 HT 0.417000 1.0080 0 + 1033 WT0 495 TIP3 H2 HT 0.417000 1.0080 0 + 1034 WT0 498 TIP3 OH2 OT -0.834000 15.9994 0 + 1035 WT0 498 TIP3 H1 HT 0.417000 1.0080 0 + 1036 WT0 498 TIP3 H2 HT 0.417000 1.0080 0 + 1037 WT0 500 TIP3 OH2 OT -0.834000 15.9994 0 + 1038 WT0 500 TIP3 H1 HT 0.417000 1.0080 0 + 1039 WT0 500 TIP3 H2 HT 0.417000 1.0080 0 + 1040 WT0 503 TIP3 OH2 OT -0.834000 15.9994 0 + 1041 WT0 503 TIP3 H1 HT 0.417000 1.0080 0 + 1042 WT0 503 TIP3 H2 HT 0.417000 1.0080 0 + 1043 WT0 506 TIP3 OH2 OT -0.834000 15.9994 0 + 1044 WT0 506 TIP3 H1 HT 0.417000 1.0080 0 + 1045 WT0 506 TIP3 H2 HT 0.417000 1.0080 0 + 1046 WT0 507 TIP3 OH2 OT -0.834000 15.9994 0 + 1047 WT0 507 TIP3 H1 HT 0.417000 1.0080 0 + 1048 WT0 507 TIP3 H2 HT 0.417000 1.0080 0 + 1049 WT0 508 TIP3 OH2 OT -0.834000 15.9994 0 + 1050 WT0 508 TIP3 H1 HT 0.417000 1.0080 0 + 1051 WT0 508 TIP3 H2 HT 0.417000 1.0080 0 + 1052 WT0 509 TIP3 OH2 OT -0.834000 15.9994 0 + 1053 WT0 509 TIP3 H1 HT 0.417000 1.0080 0 + 1054 WT0 509 TIP3 H2 HT 0.417000 1.0080 0 + 1055 WT0 511 TIP3 OH2 OT -0.834000 15.9994 0 + 1056 WT0 511 TIP3 H1 HT 0.417000 1.0080 0 + 1057 WT0 511 TIP3 H2 HT 0.417000 1.0080 0 + 1058 WT0 512 TIP3 OH2 OT -0.834000 15.9994 0 + 1059 WT0 512 TIP3 H1 HT 0.417000 1.0080 0 + 1060 WT0 512 TIP3 H2 HT 0.417000 1.0080 0 + 1061 WT0 514 TIP3 OH2 OT -0.834000 15.9994 0 + 1062 WT0 514 TIP3 H1 HT 0.417000 1.0080 0 + 1063 WT0 514 TIP3 H2 HT 0.417000 1.0080 0 + 1064 WT0 515 TIP3 OH2 OT -0.834000 15.9994 0 + 1065 WT0 515 TIP3 H1 HT 0.417000 1.0080 0 + 1066 WT0 515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 + 1155 WT0 587 TIP3 H1 HT 0.417000 1.0080 0 + 1156 WT0 587 TIP3 H2 HT 0.417000 1.0080 0 + 1157 WT0 588 TIP3 OH2 OT -0.834000 15.9994 0 + 1158 WT0 588 TIP3 H1 HT 0.417000 1.0080 0 + 1159 WT0 588 TIP3 H2 HT 0.417000 1.0080 0 + 1160 WT0 591 TIP3 OH2 OT -0.834000 15.9994 0 + 1161 WT0 591 TIP3 H1 HT 0.417000 1.0080 0 + 1162 WT0 591 TIP3 H2 HT 0.417000 1.0080 0 + 1163 WT0 593 TIP3 OH2 OT -0.834000 15.9994 0 + 1164 WT0 593 TIP3 H1 HT 0.417000 1.0080 0 + 1165 WT0 593 TIP3 H2 HT 0.417000 1.0080 0 + 1166 WT0 594 TIP3 OH2 OT -0.834000 15.9994 0 + 1167 WT0 594 TIP3 H1 HT 0.417000 1.0080 0 + 1168 WT0 594 TIP3 H2 HT 0.417000 1.0080 0 + 1169 WT0 595 TIP3 OH2 OT -0.834000 15.9994 0 + 1170 WT0 595 TIP3 H1 HT 0.417000 1.0080 0 + 1171 WT0 595 TIP3 H2 HT 0.417000 1.0080 0 + 1172 WT0 598 TIP3 OH2 OT -0.834000 15.9994 0 + 1173 WT0 598 TIP3 H1 HT 0.417000 1.0080 0 + 1174 WT0 598 TIP3 H2 HT 0.417000 1.0080 0 + 1175 WT0 599 TIP3 OH2 OT -0.834000 15.9994 0 + 1176 WT0 599 TIP3 H1 HT 0.417000 1.0080 0 + 1177 WT0 599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 + 1266 WT0 676 TIP3 H1 HT 0.417000 1.0080 0 + 1267 WT0 676 TIP3 H2 HT 0.417000 1.0080 0 + 1268 WT0 677 TIP3 OH2 OT -0.834000 15.9994 0 + 1269 WT0 677 TIP3 H1 HT 0.417000 1.0080 0 + 1270 WT0 677 TIP3 H2 HT 0.417000 1.0080 0 + 1271 WT0 679 TIP3 OH2 OT -0.834000 15.9994 0 + 1272 WT0 679 TIP3 H1 HT 0.417000 1.0080 0 + 1273 WT0 679 TIP3 H2 HT 0.417000 1.0080 0 + 1274 WT0 680 TIP3 OH2 OT -0.834000 15.9994 0 + 1275 WT0 680 TIP3 H1 HT 0.417000 1.0080 0 + 1276 WT0 680 TIP3 H2 HT 0.417000 1.0080 0 + 1277 WT0 682 TIP3 OH2 OT -0.834000 15.9994 0 + 1278 WT0 682 TIP3 H1 HT 0.417000 1.0080 0 + 1279 WT0 682 TIP3 H2 HT 0.417000 1.0080 0 + 1280 WT0 684 TIP3 OH2 OT -0.834000 15.9994 0 + 1281 WT0 684 TIP3 H1 HT 0.417000 1.0080 0 + 1282 WT0 684 TIP3 H2 HT 0.417000 1.0080 0 + 1283 WT0 686 TIP3 OH2 OT -0.834000 15.9994 0 + 1284 WT0 686 TIP3 H1 HT 0.417000 1.0080 0 + 1285 WT0 686 TIP3 H2 HT 0.417000 1.0080 0 + 1286 WT0 687 TIP3 OH2 OT -0.834000 15.9994 0 + 1287 WT0 687 TIP3 H1 HT 0.417000 1.0080 0 + 1288 WT0 687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 0.417000 1.0080 0 + 1366 WT0 749 TIP3 H2 HT 0.417000 1.0080 0 + 1367 WT0 759 TIP3 OH2 OT -0.834000 15.9994 0 + 1368 WT0 759 TIP3 H1 HT 0.417000 1.0080 0 + 1369 WT0 759 TIP3 H2 HT 0.417000 1.0080 0 + 1370 WT0 761 TIP3 OH2 OT -0.834000 15.9994 0 + 1371 WT0 761 TIP3 H1 HT 0.417000 1.0080 0 + 1372 WT0 761 TIP3 H2 HT 0.417000 1.0080 0 + 1373 WT0 765 TIP3 OH2 OT -0.834000 15.9994 0 + 1374 WT0 765 TIP3 H1 HT 0.417000 1.0080 0 + 1375 WT0 765 TIP3 H2 HT 0.417000 1.0080 0 + 1376 WT0 778 TIP3 OH2 OT -0.834000 15.9994 0 + 1377 WT0 778 TIP3 H1 HT 0.417000 1.0080 0 + 1378 WT0 778 TIP3 H2 HT 0.417000 1.0080 0 + 1379 WT0 785 TIP3 OH2 OT -0.834000 15.9994 0 + 1380 WT0 785 TIP3 H1 HT 0.417000 1.0080 0 + 1381 WT0 785 TIP3 H2 HT 0.417000 1.0080 0 + 1382 WT0 787 TIP3 OH2 OT -0.834000 15.9994 0 + 1383 WT0 787 TIP3 H1 HT 0.417000 1.0080 0 + 1384 WT0 787 TIP3 H2 HT 0.417000 1.0080 0 + 1385 WT0 788 TIP3 OH2 OT -0.834000 15.9994 0 + 1386 WT0 788 TIP3 H1 HT 0.417000 1.0080 0 + 1387 WT0 788 TIP3 H2 HT 0.417000 1.0080 0 + 1388 WT0 793 TIP3 OH2 OT -0.834000 15.9994 0 + 1389 WT0 793 TIP3 H1 HT 0.417000 1.0080 0 + 1390 WT0 793 TIP3 H2 HT 0.417000 1.0080 0 + 1391 WT0 796 TIP3 OH2 OT -0.834000 15.9994 0 + 1392 WT0 796 TIP3 H1 HT 0.417000 1.0080 0 + 1393 WT0 796 TIP3 H2 HT 0.417000 1.0080 0 + 1394 WT0 806 TIP3 OH2 OT -0.834000 15.9994 0 + 1395 WT0 806 TIP3 H1 HT 0.417000 1.0080 0 + 1396 WT0 806 TIP3 H2 HT 0.417000 1.0080 0 + 1397 WT0 809 TIP3 OH2 OT -0.834000 15.9994 0 + 1398 WT0 809 TIP3 H1 HT 0.417000 1.0080 0 + 1399 WT0 809 TIP3 H2 HT 0.417000 1.0080 0 + 1400 WT0 811 TIP3 OH2 OT -0.834000 15.9994 0 + 1401 WT0 811 TIP3 H1 HT 0.417000 1.0080 0 + 1402 WT0 811 TIP3 H2 HT 0.417000 1.0080 0 + 1403 WT0 813 TIP3 OH2 OT -0.834000 15.9994 0 + 1404 WT0 813 TIP3 H1 HT 0.417000 1.0080 0 + 1405 WT0 813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT -0.834000 15.9994 0 + 1413 WT0 822 TIP3 H1 HT 0.417000 1.0080 0 + 1414 WT0 822 TIP3 H2 HT 0.417000 1.0080 0 + 1415 WT0 835 TIP3 OH2 OT -0.834000 15.9994 0 + 1416 WT0 835 TIP3 H1 HT 0.417000 1.0080 0 + 1417 WT0 835 TIP3 H2 HT 0.417000 1.0080 0 + 1418 WT0 849 TIP3 OH2 OT -0.834000 15.9994 0 + 1419 WT0 849 TIP3 H1 HT 0.417000 1.0080 0 + 1420 WT0 849 TIP3 H2 HT 0.417000 1.0080 0 + 1421 WT0 852 TIP3 OH2 OT -0.834000 15.9994 0 + 1422 WT0 852 TIP3 H1 HT 0.417000 1.0080 0 + 1423 WT0 852 TIP3 H2 HT 0.417000 1.0080 0 + 1424 WT0 854 TIP3 OH2 OT -0.834000 15.9994 0 + 1425 WT0 854 TIP3 H1 HT 0.417000 1.0080 0 + 1426 WT0 854 TIP3 H2 HT 0.417000 1.0080 0 + 1427 WT0 867 TIP3 OH2 OT -0.834000 15.9994 0 + 1428 WT0 867 TIP3 H1 HT 0.417000 1.0080 0 + 1429 WT0 867 TIP3 H2 HT 0.417000 1.0080 0 + 1430 WT0 878 TIP3 OH2 OT -0.834000 15.9994 0 + 1431 WT0 878 TIP3 H1 HT 0.417000 1.0080 0 + 1432 WT0 878 TIP3 H2 HT 0.417000 1.0080 0 + 1433 WT0 883 TIP3 OH2 OT -0.834000 15.9994 0 + 1434 WT0 883 TIP3 H1 HT 0.417000 1.0080 0 + 1435 WT0 883 TIP3 H2 HT 0.417000 1.0080 0 + 1436 WT0 887 TIP3 OH2 OT -0.834000 15.9994 0 + 1437 WT0 887 TIP3 H1 HT 0.417000 1.0080 0 + 1438 WT0 887 TIP3 H2 HT 0.417000 1.0080 0 + 1439 WT0 889 TIP3 OH2 OT -0.834000 15.9994 0 + 1440 WT0 889 TIP3 H1 HT 0.417000 1.0080 0 + 1441 WT0 889 TIP3 H2 HT 0.417000 1.0080 0 + 1442 WT0 891 TIP3 OH2 OT -0.834000 15.9994 0 + 1443 WT0 891 TIP3 H1 HT 0.417000 1.0080 0 + 1444 WT0 891 TIP3 H2 HT 0.417000 1.0080 0 + 1445 WT0 894 TIP3 OH2 OT -0.834000 15.9994 0 + 1446 WT0 894 TIP3 H1 HT 0.417000 1.0080 0 + 1447 WT0 894 TIP3 H2 HT 0.417000 1.0080 0 + 1448 WT0 895 TIP3 OH2 OT -0.834000 15.9994 0 + 1449 WT0 895 TIP3 H1 HT 0.417000 1.0080 0 + 1450 WT0 895 TIP3 H2 HT 0.417000 1.0080 0 + 1451 WT0 897 TIP3 OH2 OT -0.834000 15.9994 0 + 1452 WT0 897 TIP3 H1 HT 0.417000 1.0080 0 + 1453 WT0 897 TIP3 H2 HT 0.417000 1.0080 0 + 1454 WT0 899 TIP3 OH2 OT -0.834000 15.9994 0 + 1455 WT0 899 TIP3 H1 HT 0.417000 1.0080 0 + 1456 WT0 899 TIP3 H2 HT 0.417000 1.0080 0 + 1457 WT0 906 TIP3 OH2 OT -0.834000 15.9994 0 + 1458 WT0 906 TIP3 H1 HT 0.417000 1.0080 0 + 1459 WT0 906 TIP3 H2 HT 0.417000 1.0080 0 + 1460 WT0 907 TIP3 OH2 OT -0.834000 15.9994 0 + 1461 WT0 907 TIP3 H1 HT 0.417000 1.0080 0 + 1462 WT0 907 TIP3 H2 HT 0.417000 1.0080 0 + 1463 WT0 908 TIP3 OH2 OT -0.834000 15.9994 0 + 1464 WT0 908 TIP3 H1 HT 0.417000 1.0080 0 + 1465 WT0 908 TIP3 H2 HT 0.417000 1.0080 0 + 1466 WT0 911 TIP3 OH2 OT -0.834000 15.9994 0 + 1467 WT0 911 TIP3 H1 HT 0.417000 1.0080 0 + 1468 WT0 911 TIP3 H2 HT 0.417000 1.0080 0 + 1469 WT0 912 TIP3 OH2 OT -0.834000 15.9994 0 + 1470 WT0 912 TIP3 H1 HT 0.417000 1.0080 0 + 1471 WT0 912 TIP3 H2 HT 0.417000 1.0080 0 + 1472 WT0 916 TIP3 OH2 OT -0.834000 15.9994 0 + 1473 WT0 916 TIP3 H1 HT 0.417000 1.0080 0 + 1474 WT0 916 TIP3 H2 HT 0.417000 1.0080 0 + 1475 WT0 917 TIP3 OH2 OT -0.834000 15.9994 0 + 1476 WT0 917 TIP3 H1 HT 0.417000 1.0080 0 + 1477 WT0 917 TIP3 H2 HT 0.417000 1.0080 0 + 1478 WT0 924 TIP3 OH2 OT -0.834000 15.9994 0 + 1479 WT0 924 TIP3 H1 HT 0.417000 1.0080 0 + 1480 WT0 924 TIP3 H2 HT 0.417000 1.0080 0 + 1481 WT0 927 TIP3 OH2 OT -0.834000 15.9994 0 + 1482 WT0 927 TIP3 H1 HT 0.417000 1.0080 0 + 1483 WT0 927 TIP3 H2 HT 0.417000 1.0080 0 + 1484 WT0 928 TIP3 OH2 OT -0.834000 15.9994 0 + 1485 WT0 928 TIP3 H1 HT 0.417000 1.0080 0 + 1486 WT0 928 TIP3 H2 HT 0.417000 1.0080 0 + 1487 WT0 929 TIP3 OH2 OT -0.834000 15.9994 0 + 1488 WT0 929 TIP3 H1 HT 0.417000 1.0080 0 + 1489 WT0 929 TIP3 H2 HT 0.417000 1.0080 0 + 1490 WT0 930 TIP3 OH2 OT -0.834000 15.9994 0 + 1491 WT0 930 TIP3 H1 HT 0.417000 1.0080 0 + 1492 WT0 930 TIP3 H2 HT 0.417000 1.0080 0 + 1493 WT0 932 TIP3 OH2 OT -0.834000 15.9994 0 + 1494 WT0 932 TIP3 H1 HT 0.417000 1.0080 0 + 1495 WT0 932 TIP3 H2 HT 0.417000 1.0080 0 + 1496 WT0 933 TIP3 OH2 OT -0.834000 15.9994 0 + 1497 WT0 933 TIP3 H1 HT 0.417000 1.0080 0 + 1498 WT0 933 TIP3 H2 HT 0.417000 1.0080 0 + 1499 WT0 936 TIP3 OH2 OT -0.834000 15.9994 0 + 1500 WT0 936 TIP3 H1 HT 0.417000 1.0080 0 + 1501 WT0 936 TIP3 H2 HT 0.417000 1.0080 0 + 1502 WT0 940 TIP3 OH2 OT -0.834000 15.9994 0 + 1503 WT0 940 TIP3 H1 HT 0.417000 1.0080 0 + 1504 WT0 940 TIP3 H2 HT 0.417000 1.0080 0 + 1505 WT0 941 TIP3 OH2 OT -0.834000 15.9994 0 + 1506 WT0 941 TIP3 H1 HT 0.417000 1.0080 0 + 1507 WT0 941 TIP3 H2 HT 0.417000 1.0080 0 + 1508 WT0 942 TIP3 OH2 OT -0.834000 15.9994 0 + 1509 WT0 942 TIP3 H1 HT 0.417000 1.0080 0 + 1510 WT0 942 TIP3 H2 HT 0.417000 1.0080 0 + 1511 WT0 947 TIP3 OH2 OT -0.834000 15.9994 0 + 1512 WT0 947 TIP3 H1 HT 0.417000 1.0080 0 + 1513 WT0 947 TIP3 H2 HT 0.417000 1.0080 0 + 1514 WT0 948 TIP3 OH2 OT -0.834000 15.9994 0 + 1515 WT0 948 TIP3 H1 HT 0.417000 1.0080 0 + 1516 WT0 948 TIP3 H2 HT 0.417000 1.0080 0 + 1517 WT0 949 TIP3 OH2 OT -0.834000 15.9994 0 + 1518 WT0 949 TIP3 H1 HT 0.417000 1.0080 0 + 1519 WT0 949 TIP3 H2 HT 0.417000 1.0080 0 + 1520 WT0 950 TIP3 OH2 OT -0.834000 15.9994 0 + 1521 WT0 950 TIP3 H1 HT 0.417000 1.0080 0 + 1522 WT0 950 TIP3 H2 HT 0.417000 1.0080 0 + 1523 WT0 951 TIP3 OH2 OT -0.834000 15.9994 0 + 1524 WT0 951 TIP3 H1 HT 0.417000 1.0080 0 + 1525 WT0 951 TIP3 H2 HT 0.417000 1.0080 0 + 1526 WT0 952 TIP3 OH2 OT -0.834000 15.9994 0 + 1527 WT0 952 TIP3 H1 HT 0.417000 1.0080 0 + 1528 WT0 952 TIP3 H2 HT 0.417000 1.0080 0 + 1529 WT0 953 TIP3 OH2 OT -0.834000 15.9994 0 + 1530 WT0 953 TIP3 H1 HT 0.417000 1.0080 0 + 1531 WT0 953 TIP3 H2 HT 0.417000 1.0080 0 + 1532 WT0 954 TIP3 OH2 OT -0.834000 15.9994 0 + 1533 WT0 954 TIP3 H1 HT 0.417000 1.0080 0 + 1534 WT0 954 TIP3 H2 HT 0.417000 1.0080 0 + 1535 WT0 958 TIP3 OH2 OT -0.834000 15.9994 0 + 1536 WT0 958 TIP3 H1 HT 0.417000 1.0080 0 + 1537 WT0 958 TIP3 H2 HT 0.417000 1.0080 0 + 1538 WT0 961 TIP3 OH2 OT -0.834000 15.9994 0 + 1539 WT0 961 TIP3 H1 HT 0.417000 1.0080 0 + 1540 WT0 961 TIP3 H2 HT 0.417000 1.0080 0 + 1541 WT0 962 TIP3 OH2 OT -0.834000 15.9994 0 + 1542 WT0 962 TIP3 H1 HT 0.417000 1.0080 0 + 1543 WT0 962 TIP3 H2 HT 0.417000 1.0080 0 + 1544 WT0 964 TIP3 OH2 OT -0.834000 15.9994 0 + 1545 WT0 964 TIP3 H1 HT 0.417000 1.0080 0 + 1546 WT0 964 TIP3 H2 HT 0.417000 1.0080 0 + 1547 WT0 970 TIP3 OH2 OT -0.834000 15.9994 0 + 1548 WT0 970 TIP3 H1 HT 0.417000 1.0080 0 + 1549 WT0 970 TIP3 H2 HT 0.417000 1.0080 0 + 1550 WT0 972 TIP3 OH2 OT -0.834000 15.9994 0 + 1551 WT0 972 TIP3 H1 HT 0.417000 1.0080 0 + 1552 WT0 972 TIP3 H2 HT 0.417000 1.0080 0 + 1553 WT0 974 TIP3 OH2 OT -0.834000 15.9994 0 + 1554 WT0 974 TIP3 H1 HT 0.417000 1.0080 0 + 1555 WT0 974 TIP3 H2 HT 0.417000 1.0080 0 + 1556 WT0 975 TIP3 OH2 OT -0.834000 15.9994 0 + 1557 WT0 975 TIP3 H1 HT 0.417000 1.0080 0 + 1558 WT0 975 TIP3 H2 HT 0.417000 1.0080 0 + 1559 WT0 977 TIP3 OH2 OT -0.834000 15.9994 0 + 1560 WT0 977 TIP3 H1 HT 0.417000 1.0080 0 + 1561 WT0 977 TIP3 H2 HT 0.417000 1.0080 0 + 1562 WT0 978 TIP3 OH2 OT -0.834000 15.9994 0 + 1563 WT0 978 TIP3 H1 HT 0.417000 1.0080 0 + 1564 WT0 978 TIP3 H2 HT 0.417000 1.0080 0 + 1565 WT0 982 TIP3 OH2 OT -0.834000 15.9994 0 + 1566 WT0 982 TIP3 H1 HT 0.417000 1.0080 0 + 1567 WT0 982 TIP3 H2 HT 0.417000 1.0080 0 + 1568 WT0 983 TIP3 OH2 OT -0.834000 15.9994 0 + 1569 WT0 983 TIP3 H1 HT 0.417000 1.0080 0 + 1570 WT0 983 TIP3 H2 HT 0.417000 1.0080 0 + 1571 WT0 985 TIP3 OH2 OT -0.834000 15.9994 0 + 1572 WT0 985 TIP3 H1 HT 0.417000 1.0080 0 + 1573 WT0 985 TIP3 H2 HT 0.417000 1.0080 0 + 1574 WT0 988 TIP3 OH2 OT -0.834000 15.9994 0 + 1575 WT0 988 TIP3 H1 HT 0.417000 1.0080 0 + 1576 WT0 988 TIP3 H2 HT 0.417000 1.0080 0 + 1577 WT0 989 TIP3 OH2 OT -0.834000 15.9994 0 + 1578 WT0 989 TIP3 H1 HT 0.417000 1.0080 0 + 1579 WT0 989 TIP3 H2 HT 0.417000 1.0080 0 + 1580 WT0 990 TIP3 OH2 OT -0.834000 15.9994 0 + 1581 WT0 990 TIP3 H1 HT 0.417000 1.0080 0 + 1582 WT0 990 TIP3 H2 HT 0.417000 1.0080 0 + 1583 WT0 991 TIP3 OH2 OT -0.834000 15.9994 0 + 1584 WT0 991 TIP3 H1 HT 0.417000 1.0080 0 + 1585 WT0 991 TIP3 H2 HT 0.417000 1.0080 0 + 1586 WT0 992 TIP3 OH2 OT -0.834000 15.9994 0 + 1587 WT0 992 TIP3 H1 HT 0.417000 1.0080 0 + 1588 WT0 992 TIP3 H2 HT 0.417000 1.0080 0 + 1589 WT0 994 TIP3 OH2 OT -0.834000 15.9994 0 + 1590 WT0 994 TIP3 H1 HT 0.417000 1.0080 0 + 1591 WT0 994 TIP3 H2 HT 0.417000 1.0080 0 + 1592 WT0 995 TIP3 OH2 OT -0.834000 15.9994 0 + 1593 WT0 995 TIP3 H1 HT 0.417000 1.0080 0 + 1594 WT0 995 TIP3 H2 HT 0.417000 1.0080 0 + 1595 WT0 996 TIP3 OH2 OT -0.834000 15.9994 0 + 1596 WT0 996 TIP3 H1 HT 0.417000 1.0080 0 + 1597 WT0 996 TIP3 H2 HT 0.417000 1.0080 0 + 1598 WT0 1004 TIP3 OH2 OT -0.834000 15.9994 0 + 1599 WT0 1004 TIP3 H1 HT 0.417000 1.0080 0 + 1600 WT0 1004 TIP3 H2 HT 0.417000 1.0080 0 + 1601 WT0 1007 TIP3 OH2 OT -0.834000 15.9994 0 + 1602 WT0 1007 TIP3 H1 HT 0.417000 1.0080 0 + 1603 WT0 1007 TIP3 H2 HT 0.417000 1.0080 0 + 1604 WT0 1011 TIP3 OH2 OT -0.834000 15.9994 0 + 1605 WT0 1011 TIP3 H1 HT 0.417000 1.0080 0 + 1606 WT0 1011 TIP3 H2 HT 0.417000 1.0080 0 + 1607 WT0 1012 TIP3 OH2 OT -0.834000 15.9994 0 + 1608 WT0 1012 TIP3 H1 HT 0.417000 1.0080 0 + 1609 WT0 1012 TIP3 H2 HT 0.417000 1.0080 0 + 1610 WT0 1013 TIP3 OH2 OT -0.834000 15.9994 0 + 1611 WT0 1013 TIP3 H1 HT 0.417000 1.0080 0 + 1612 WT0 1013 TIP3 H2 HT 0.417000 1.0080 0 + 1613 WT0 1014 TIP3 OH2 OT -0.834000 15.9994 0 + 1614 WT0 1014 TIP3 H1 HT 0.417000 1.0080 0 + 1615 WT0 1014 TIP3 H2 HT 0.417000 1.0080 0 + 1616 WT0 1017 TIP3 OH2 OT -0.834000 15.9994 0 + 1617 WT0 1017 TIP3 H1 HT 0.417000 1.0080 0 + 1618 WT0 1017 TIP3 H2 HT 0.417000 1.0080 0 + 1619 WT0 1018 TIP3 OH2 OT -0.834000 15.9994 0 + 1620 WT0 1018 TIP3 H1 HT 0.417000 1.0080 0 + 1621 WT0 1018 TIP3 H2 HT 0.417000 1.0080 0 + 1622 WT0 1020 TIP3 OH2 OT -0.834000 15.9994 0 + 1623 WT0 1020 TIP3 H1 HT 0.417000 1.0080 0 + 1624 WT0 1020 TIP3 H2 HT 0.417000 1.0080 0 + 1625 WT0 1022 TIP3 OH2 OT -0.834000 15.9994 0 + 1626 WT0 1022 TIP3 H1 HT 0.417000 1.0080 0 + 1627 WT0 1022 TIP3 H2 HT 0.417000 1.0080 0 + 1628 WT0 1023 TIP3 OH2 OT -0.834000 15.9994 0 + 1629 WT0 1023 TIP3 H1 HT 0.417000 1.0080 0 + 1630 WT0 1023 TIP3 H2 HT 0.417000 1.0080 0 + 1631 WT0 1027 TIP3 OH2 OT -0.834000 15.9994 0 + 1632 WT0 1027 TIP3 H1 HT 0.417000 1.0080 0 + 1633 WT0 1027 TIP3 H2 HT 0.417000 1.0080 0 + 1634 WT0 1032 TIP3 OH2 OT -0.834000 15.9994 0 + 1635 WT0 1032 TIP3 H1 HT 0.417000 1.0080 0 + 1636 WT0 1032 TIP3 H2 HT 0.417000 1.0080 0 + 1637 WT0 1033 TIP3 OH2 OT -0.834000 15.9994 0 + 1638 WT0 1033 TIP3 H1 HT 0.417000 1.0080 0 + 1639 WT0 1033 TIP3 H2 HT 0.417000 1.0080 0 + 1640 WT0 1036 TIP3 OH2 OT -0.834000 15.9994 0 + 1641 WT0 1036 TIP3 H1 HT 0.417000 1.0080 0 + 1642 WT0 1036 TIP3 H2 HT 0.417000 1.0080 0 + 1643 WT0 1039 TIP3 OH2 OT -0.834000 15.9994 0 + 1644 WT0 1039 TIP3 H1 HT 0.417000 1.0080 0 + 1645 WT0 1039 TIP3 H2 HT 0.417000 1.0080 0 + 1646 WT0 1040 TIP3 OH2 OT -0.834000 15.9994 0 + 1647 WT0 1040 TIP3 H1 HT 0.417000 1.0080 0 + 1648 WT0 1040 TIP3 H2 HT 0.417000 1.0080 0 + 1649 WT0 1042 TIP3 OH2 OT -0.834000 15.9994 0 + 1650 WT0 1042 TIP3 H1 HT 0.417000 1.0080 0 + 1651 WT0 1042 TIP3 H2 HT 0.417000 1.0080 0 + 1652 WT0 1043 TIP3 OH2 OT -0.834000 15.9994 0 + 1653 WT0 1043 TIP3 H1 HT 0.417000 1.0080 0 + 1654 WT0 1043 TIP3 H2 HT 0.417000 1.0080 0 + 1655 WT0 1045 TIP3 OH2 OT -0.834000 15.9994 0 + 1656 WT0 1045 TIP3 H1 HT 0.417000 1.0080 0 + 1657 WT0 1045 TIP3 H2 HT 0.417000 1.0080 0 + 1658 WT0 1053 TIP3 OH2 OT -0.834000 15.9994 0 + 1659 WT0 1053 TIP3 H1 HT 0.417000 1.0080 0 + 1660 WT0 1053 TIP3 H2 HT 0.417000 1.0080 0 + 1661 WT0 1055 TIP3 OH2 OT -0.834000 15.9994 0 + 1662 WT0 1055 TIP3 H1 HT 0.417000 1.0080 0 + 1663 WT0 1055 TIP3 H2 HT 0.417000 1.0080 0 + 1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 + 1670 WT0 1058 TIP3 OH2 OT -0.834000 15.9994 0 + 1671 WT0 1058 TIP3 H1 HT 0.417000 1.0080 0 + 1672 WT0 1058 TIP3 H2 HT 0.417000 1.0080 0 + 1673 WT0 1059 TIP3 OH2 OT -0.834000 15.9994 0 + 1674 WT0 1059 TIP3 H1 HT 0.417000 1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 + 1678 WT0 1060 TIP3 H2 HT 0.417000 1.0080 0 + 1679 WT0 1061 TIP3 OH2 OT -0.834000 15.9994 0 + 1680 WT0 1061 TIP3 H1 HT 0.417000 1.0080 0 + 1681 WT0 1061 TIP3 H2 HT 0.417000 1.0080 0 + 1682 WT0 1062 TIP3 OH2 OT -0.834000 15.9994 0 + 1683 WT0 1062 TIP3 H1 HT 0.417000 1.0080 0 + 1684 WT0 1062 TIP3 H2 HT 0.417000 1.0080 0 + 1685 WT0 1063 TIP3 OH2 OT -0.834000 15.9994 0 + 1686 WT0 1063 TIP3 H1 HT 0.417000 1.0080 0 + 1687 WT0 1063 TIP3 H2 HT 0.417000 1.0080 0 + 1688 WT0 1064 TIP3 OH2 OT -0.834000 15.9994 0 + 1689 WT0 1064 TIP3 H1 HT 0.417000 1.0080 0 + 1690 WT0 1064 TIP3 H2 HT 0.417000 1.0080 0 + 1691 WT0 1065 TIP3 OH2 OT -0.834000 15.9994 0 + 1692 WT0 1065 TIP3 H1 HT 0.417000 1.0080 0 + 1693 WT0 1065 TIP3 H2 HT 0.417000 1.0080 0 + 1694 WT0 1066 TIP3 OH2 OT -0.834000 15.9994 0 + 1695 WT0 1066 TIP3 H1 HT 0.417000 1.0080 0 + 1696 WT0 1066 TIP3 H2 HT 0.417000 1.0080 0 + 1697 WT0 1069 TIP3 OH2 OT -0.834000 15.9994 0 + 1698 WT0 1069 TIP3 H1 HT 0.417000 1.0080 0 + 1699 WT0 1069 TIP3 H2 HT 0.417000 1.0080 0 + 1700 WT0 1076 TIP3 OH2 OT -0.834000 15.9994 0 + 1701 WT0 1076 TIP3 H1 HT 0.417000 1.0080 0 + 1702 WT0 1076 TIP3 H2 HT 0.417000 1.0080 0 + 1703 WT0 1077 TIP3 OH2 OT -0.834000 15.9994 0 + 1704 WT0 1077 TIP3 H1 HT 0.417000 1.0080 0 + 1705 WT0 1077 TIP3 H2 HT 0.417000 1.0080 0 + 1706 WT0 1078 TIP3 OH2 OT -0.834000 15.9994 0 + 1707 WT0 1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 + 2299 WT0 1518 TIP3 H2 HT 0.417000 1.0080 0 + 2300 WT0 1519 TIP3 OH2 OT -0.834000 15.9994 0 + 2301 WT0 1519 TIP3 H1 HT 0.417000 1.0080 0 + 2302 WT0 1519 TIP3 H2 HT 0.417000 1.0080 0 + 2303 WT0 1520 TIP3 OH2 OT -0.834000 15.9994 0 + 2304 WT0 1520 TIP3 H1 HT 0.417000 1.0080 0 + 2305 WT0 1520 TIP3 H2 HT 0.417000 1.0080 0 + 2306 WT0 1522 TIP3 OH2 OT -0.834000 15.9994 0 + 2307 WT0 1522 TIP3 H1 HT 0.417000 1.0080 0 + 2308 WT0 1522 TIP3 H2 HT 0.417000 1.0080 0 + 2309 WT0 1524 TIP3 OH2 OT -0.834000 15.9994 0 + 2310 WT0 1524 TIP3 H1 HT 0.417000 1.0080 0 + 2311 WT0 1524 TIP3 H2 HT 0.417000 1.0080 0 + 2312 WT0 1526 TIP3 OH2 OT -0.834000 15.9994 0 + 2313 WT0 1526 TIP3 H1 HT 0.417000 1.0080 0 + 2314 WT0 1526 TIP3 H2 HT 0.417000 1.0080 0 + 2315 WT0 1527 TIP3 OH2 OT -0.834000 15.9994 0 + 2316 WT0 1527 TIP3 H1 HT 0.417000 1.0080 0 + 2317 WT0 1527 TIP3 H2 HT 0.417000 1.0080 0 + 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1794 TIP3 H1 HT 0.417000 1.0080 0 + 2644 WT0 1794 TIP3 H2 HT 0.417000 1.0080 0 + 2645 WT0 1795 TIP3 OH2 OT -0.834000 15.9994 0 + 2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 0 + 3291 WT0 2151 TIP3 H1 HT 0.417000 1.0080 0 + 3292 WT0 2151 TIP3 H2 HT 0.417000 1.0080 0 + 3293 WT0 2155 TIP3 OH2 OT -0.834000 15.9994 0 + 3294 WT0 2155 TIP3 H1 HT 0.417000 1.0080 0 + 3295 WT0 2155 TIP3 H2 HT 0.417000 1.0080 0 + 3296 WT0 2159 TIP3 OH2 OT -0.834000 15.9994 0 + 3297 WT0 2159 TIP3 H1 HT 0.417000 1.0080 0 + 3298 WT0 2159 TIP3 H2 HT 0.417000 1.0080 0 + 3299 WT0 2163 TIP3 OH2 OT -0.834000 15.9994 0 + 3300 WT0 2163 TIP3 H1 HT 0.417000 1.0080 0 + 3301 WT0 2163 TIP3 H2 HT 0.417000 1.0080 0 + 3302 WT0 2165 TIP3 OH2 OT -0.834000 15.9994 0 + 3303 WT0 2165 TIP3 H1 HT 0.417000 1.0080 0 + 3304 WT0 2165 TIP3 H2 HT 0.417000 1.0080 0 + 3305 WT0 2167 TIP3 OH2 OT -0.834000 15.9994 0 + 3306 WT0 2167 TIP3 H1 HT 0.417000 1.0080 0 + 3307 WT0 2167 TIP3 H2 HT 0.417000 1.0080 0 + 3308 WT0 2168 TIP3 OH2 OT -0.834000 15.9994 0 + 3309 WT0 2168 TIP3 H1 HT 0.417000 1.0080 0 + 3310 WT0 2168 TIP3 H2 HT 0.417000 1.0080 0 + 3311 WT0 2172 TIP3 OH2 OT -0.834000 15.9994 0 + 3312 WT0 2172 TIP3 H1 HT 0.417000 1.0080 0 + 3313 WT0 2172 TIP3 H2 HT 0.417000 1.0080 0 + 3314 WT0 2180 TIP3 OH2 OT -0.834000 15.9994 0 + 3315 WT0 2180 TIP3 H1 HT 0.417000 1.0080 0 + 3316 WT0 2180 TIP3 H2 HT 0.417000 1.0080 0 + 3317 WT0 2185 TIP3 OH2 OT -0.834000 15.9994 0 + 3318 WT0 2185 TIP3 H1 HT 0.417000 1.0080 0 + 3319 WT0 2185 TIP3 H2 HT 0.417000 1.0080 0 + 3320 WT0 2186 TIP3 OH2 OT -0.834000 15.9994 0 + 3321 WT0 2186 TIP3 H1 HT 0.417000 1.0080 0 + 3322 WT0 2186 TIP3 H2 HT 0.417000 1.0080 0 + 3323 WT0 2187 TIP3 OH2 OT -0.834000 15.9994 0 + 3324 WT0 2187 TIP3 H1 HT 0.417000 1.0080 0 + 3325 WT0 2187 TIP3 H2 HT 0.417000 1.0080 0 + 3326 WT0 2194 TIP3 OH2 OT -0.834000 15.9994 0 + 3327 WT0 2194 TIP3 H1 HT 0.417000 1.0080 0 + 3328 WT0 2194 TIP3 H2 HT 0.417000 1.0080 0 + 3329 WT0 2195 TIP3 OH2 OT -0.834000 15.9994 0 + 3330 WT0 2195 TIP3 H1 HT 0.417000 1.0080 0 + 3331 WT0 2195 TIP3 H2 HT 0.417000 1.0080 0 + 3332 WT0 2197 TIP3 OH2 OT -0.834000 15.9994 0 + 3333 WT0 2197 TIP3 H1 HT 0.417000 1.0080 0 + 3334 WT0 2197 TIP3 H2 HT 0.417000 1.0080 0 + 3335 WT0 2198 TIP3 OH2 OT -0.834000 15.9994 0 + 3336 WT0 2198 TIP3 H1 HT 0.417000 1.0080 0 + 3337 WT0 2198 TIP3 H2 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2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT -0.834000 15.9994 0 + 3666 WT0 2403 TIP3 H1 HT 0.417000 1.0080 0 + 3667 WT0 2403 TIP3 H2 HT 0.417000 1.0080 0 + 3668 WT0 2404 TIP3 OH2 OT -0.834000 15.9994 0 + 3669 WT0 2404 TIP3 H1 HT 0.417000 1.0080 0 + 3670 WT0 2404 TIP3 H2 HT 0.417000 1.0080 0 + 3671 WT0 2405 TIP3 OH2 OT -0.834000 15.9994 0 + 3672 WT0 2405 TIP3 H1 HT 0.417000 1.0080 0 + 3673 WT0 2405 TIP3 H2 HT 0.417000 1.0080 0 + 3674 WT0 2406 TIP3 OH2 OT -0.834000 15.9994 0 + 3675 WT0 2406 TIP3 H1 HT 0.417000 1.0080 0 + 3676 WT0 2406 TIP3 H2 HT 0.417000 1.0080 0 + 3677 WT0 2407 TIP3 OH2 OT -0.834000 15.9994 0 + 3678 WT0 2407 TIP3 H1 HT 0.417000 1.0080 0 + 3679 WT0 2407 TIP3 H2 HT 0.417000 1.0080 0 + 3680 WT0 2408 TIP3 OH2 OT -0.834000 15.9994 0 + 3681 WT0 2408 TIP3 H1 HT 0.417000 1.0080 0 + 3682 WT0 2408 TIP3 H2 HT 0.417000 1.0080 0 + 3683 WT0 2409 TIP3 OH2 OT -0.834000 15.9994 0 + 3684 WT0 2409 TIP3 H1 HT 0.417000 1.0080 0 + 3685 WT0 2409 TIP3 H2 HT 0.417000 1.0080 0 + 3686 WT0 2411 TIP3 OH2 OT -0.834000 15.9994 0 + 3687 WT0 2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 + 3703 WT0 2421 TIP3 H2 HT 0.417000 1.0080 0 + 3704 WT0 2422 TIP3 OH2 OT -0.834000 15.9994 0 + 3705 WT0 2422 TIP3 H1 HT 0.417000 1.0080 0 + 3706 WT0 2422 TIP3 H2 HT 0.417000 1.0080 0 + 3707 WT0 2423 TIP3 OH2 OT -0.834000 15.9994 0 + 3708 WT0 2423 TIP3 H1 HT 0.417000 1.0080 0 + 3709 WT0 2423 TIP3 H2 HT 0.417000 1.0080 0 + 3710 WT0 2424 TIP3 OH2 OT -0.834000 15.9994 0 + 3711 WT0 2424 TIP3 H1 HT 0.417000 1.0080 0 + 3712 WT0 2424 TIP3 H2 HT 0.417000 1.0080 0 + 3713 WT0 2425 TIP3 OH2 OT -0.834000 15.9994 0 + 3714 WT0 2425 TIP3 H1 HT 0.417000 1.0080 0 + 3715 WT0 2425 TIP3 H2 HT 0.417000 1.0080 0 + 3716 WT0 2427 TIP3 OH2 OT -0.834000 15.9994 0 + 3717 WT0 2427 TIP3 H1 HT 0.417000 1.0080 0 + 3718 WT0 2427 TIP3 H2 HT 0.417000 1.0080 0 + 3719 WT0 2428 TIP3 OH2 OT -0.834000 15.9994 0 + 3720 WT0 2428 TIP3 H1 HT 0.417000 1.0080 0 + 3721 WT0 2428 TIP3 H2 HT 0.417000 1.0080 0 + 3722 WT0 2429 TIP3 OH2 OT -0.834000 15.9994 0 + 3723 WT0 2429 TIP3 H1 HT 0.417000 1.0080 0 + 3724 WT0 2429 TIP3 H2 HT 0.417000 1.0080 0 + 3725 WT0 2430 TIP3 OH2 OT -0.834000 15.9994 0 + 3726 WT0 2430 TIP3 H1 HT 0.417000 1.0080 0 + 3727 WT0 2430 TIP3 H2 HT 0.417000 1.0080 0 + 3728 WT0 2432 TIP3 OH2 OT -0.834000 15.9994 0 + 3729 WT0 2432 TIP3 H1 HT 0.417000 1.0080 0 + 3730 WT0 2432 TIP3 H2 HT 0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT -0.834000 15.9994 0 + 3948 WT0 2610 TIP3 H1 HT 0.417000 1.0080 0 + 3949 WT0 2610 TIP3 H2 HT 0.417000 1.0080 0 + 3950 WT0 2613 TIP3 OH2 OT -0.834000 15.9994 0 + 3951 WT0 2613 TIP3 H1 HT 0.417000 1.0080 0 + 3952 WT0 2613 TIP3 H2 HT 0.417000 1.0080 0 + 3953 WT0 2616 TIP3 OH2 OT -0.834000 15.9994 0 + 3954 WT0 2616 TIP3 H1 HT 0.417000 1.0080 0 + 3955 WT0 2616 TIP3 H2 HT 0.417000 1.0080 0 + 3956 WT0 2617 TIP3 OH2 OT -0.834000 15.9994 0 + 3957 WT0 2617 TIP3 H1 HT 0.417000 1.0080 0 + 3958 WT0 2617 TIP3 H2 HT 0.417000 1.0080 0 + 3959 WT0 2618 TIP3 OH2 OT -0.834000 15.9994 0 + 3960 WT0 2618 TIP3 H1 HT 0.417000 1.0080 0 + 3961 WT0 2618 TIP3 H2 HT 0.417000 1.0080 0 + 3962 WT0 2628 TIP3 OH2 OT -0.834000 15.9994 0 + 3963 WT0 2628 TIP3 H1 HT 0.417000 1.0080 0 + 3964 WT0 2628 TIP3 H2 HT 0.417000 1.0080 0 + 3965 WT0 2634 TIP3 OH2 OT -0.834000 15.9994 0 + 3966 WT0 2634 TIP3 H1 HT 0.417000 1.0080 0 + 3967 WT0 2634 TIP3 H2 HT 0.417000 1.0080 0 + 3968 WT0 2635 TIP3 OH2 OT -0.834000 15.9994 0 + 3969 WT0 2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 + 3985 WT0 2650 TIP3 H2 HT 0.417000 1.0080 0 + 3986 WT0 2654 TIP3 OH2 OT -0.834000 15.9994 0 + 3987 WT0 2654 TIP3 H1 HT 0.417000 1.0080 0 + 3988 WT0 2654 TIP3 H2 HT 0.417000 1.0080 0 + 3989 WT0 2656 TIP3 OH2 OT -0.834000 15.9994 0 + 3990 WT0 2656 TIP3 H1 HT 0.417000 1.0080 0 + 3991 WT0 2656 TIP3 H2 HT 0.417000 1.0080 0 + 3992 WT0 2657 TIP3 OH2 OT -0.834000 15.9994 0 + 3993 WT0 2657 TIP3 H1 HT 0.417000 1.0080 0 + 3994 WT0 2657 TIP3 H2 HT 0.417000 1.0080 0 + 3995 WT0 2659 TIP3 OH2 OT -0.834000 15.9994 0 + 3996 WT0 2659 TIP3 H1 HT 0.417000 1.0080 0 + 3997 WT0 2659 TIP3 H2 HT 0.417000 1.0080 0 + 3998 WT0 2662 TIP3 OH2 OT -0.834000 15.9994 0 + 3999 WT0 2662 TIP3 H1 HT 0.417000 1.0080 0 + 4000 WT0 2662 TIP3 H2 HT 0.417000 1.0080 0 + 4001 WT0 2667 TIP3 OH2 OT -0.834000 15.9994 0 + 4002 WT0 2667 TIP3 H1 HT 0.417000 1.0080 0 + 4003 WT0 2667 TIP3 H2 HT 0.417000 1.0080 0 + 4004 WT0 2669 TIP3 OH2 OT -0.834000 15.9994 0 + 4005 WT0 2669 TIP3 H1 HT 0.417000 1.0080 0 + 4006 WT0 2669 TIP3 H2 HT 0.417000 1.0080 0 + 4007 WT0 2670 TIP3 OH2 OT -0.834000 15.9994 0 + 4008 WT0 2670 TIP3 H1 HT 0.417000 1.0080 0 + 4009 WT0 2670 TIP3 H2 HT 0.417000 1.0080 0 + 4010 WT0 2673 TIP3 OH2 OT -0.834000 15.9994 0 + 4011 WT0 2673 TIP3 H1 HT 0.417000 1.0080 0 + 4012 WT0 2673 TIP3 H2 HT 0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT 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2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT -0.834000 15.9994 0 + 4224 WT0 2798 TIP3 H1 HT 0.417000 1.0080 0 + 4225 WT0 2798 TIP3 H2 HT 0.417000 1.0080 0 + 4226 WT0 2801 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 4249 WT0 2809 TIP3 H2 HT 0.417000 1.0080 0 + 4250 WT0 2815 TIP3 OH2 OT -0.834000 15.9994 0 + 4251 WT0 2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 + 4267 WT0 2824 TIP3 H2 HT 0.417000 1.0080 0 + 4268 WT0 2826 TIP3 OH2 OT -0.834000 15.9994 0 + 4269 WT0 2826 TIP3 H1 HT 0.417000 1.0080 0 + 4270 WT0 2826 TIP3 H2 HT 0.417000 1.0080 0 + 4271 WT0 2829 TIP3 OH2 OT -0.834000 15.9994 0 + 4272 WT0 2829 TIP3 H1 HT 0.417000 1.0080 0 + 4273 WT0 2829 TIP3 H2 HT 0.417000 1.0080 0 + 4274 WT0 2830 TIP3 OH2 OT -0.834000 15.9994 0 + 4275 WT0 2830 TIP3 H1 HT 0.417000 1.0080 0 + 4276 WT0 2830 TIP3 H2 HT 0.417000 1.0080 0 + 4277 WT0 2831 TIP3 OH2 OT -0.834000 15.9994 0 + 4278 WT0 2831 TIP3 H1 HT 0.417000 1.0080 0 + 4279 WT0 2831 TIP3 H2 HT 0.417000 1.0080 0 + 4280 WT0 2832 TIP3 OH2 OT -0.834000 15.9994 0 + 4281 WT0 2832 TIP3 H1 HT 0.417000 1.0080 0 + 4282 WT0 2832 TIP3 H2 HT 0.417000 1.0080 0 + 4283 WT0 2834 TIP3 OH2 OT -0.834000 15.9994 0 + 4284 WT0 2834 TIP3 H1 HT 0.417000 1.0080 0 + 4285 WT0 2834 TIP3 H2 HT 0.417000 1.0080 0 + 4286 WT0 2838 TIP3 OH2 OT -0.834000 15.9994 0 + 4287 WT0 2838 TIP3 H1 HT 0.417000 1.0080 0 + 4288 WT0 2838 TIP3 H2 HT 0.417000 1.0080 0 + 4289 WT0 2840 TIP3 OH2 OT -0.834000 15.9994 0 + 4290 WT0 2840 TIP3 H1 HT 0.417000 1.0080 0 + 4291 WT0 2840 TIP3 H2 HT 0.417000 1.0080 0 + 4292 WT0 2842 TIP3 OH2 OT -0.834000 15.9994 0 + 4293 WT0 2842 TIP3 H1 HT 0.417000 1.0080 0 + 4294 WT0 2842 TIP3 H2 HT 0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 TIP3 OH2 OT -0.834000 15.9994 0 + 4311 WT0 2850 TIP3 H1 HT 0.417000 1.0080 0 + 4312 WT0 2850 TIP3 H2 HT 0.417000 1.0080 0 + 4313 WT0 2852 TIP3 OH2 OT 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2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 1.0080 0 + 4354 WT0 2878 TIP3 H2 HT 0.417000 1.0080 0 + 4355 WT0 2880 TIP3 OH2 OT -0.834000 15.9994 0 + 4356 WT0 2880 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4379 WT0 2891 TIP3 OH2 OT -0.834000 15.9994 0 + 4380 WT0 2891 TIP3 H1 HT 0.417000 1.0080 0 + 4381 WT0 2891 TIP3 H2 HT 0.417000 1.0080 0 + 4382 WT0 2893 TIP3 OH2 OT -0.834000 15.9994 0 + 4383 WT0 2893 TIP3 H1 HT 0.417000 1.0080 0 + 4384 WT0 2893 TIP3 H2 HT 0.417000 1.0080 0 + 4385 WT0 2894 TIP3 OH2 OT -0.834000 15.9994 0 + 4386 WT0 2894 TIP3 H1 HT 0.417000 1.0080 0 + 4387 WT0 2894 TIP3 H2 HT 0.417000 1.0080 0 + 4388 WT0 2897 TIP3 OH2 OT -0.834000 15.9994 0 + 4389 WT0 2897 TIP3 H1 HT 0.417000 1.0080 0 + 4390 WT0 2897 TIP3 H2 HT 0.417000 1.0080 0 + 4391 WT0 2899 TIP3 OH2 OT -0.834000 15.9994 0 + 4392 WT0 2899 TIP3 H1 HT 0.417000 1.0080 0 + 4393 WT0 2899 TIP3 H2 HT 0.417000 1.0080 0 + 4394 WT0 2900 TIP3 OH2 OT -0.834000 15.9994 0 + 4395 WT0 2900 TIP3 H1 HT 0.417000 1.0080 0 + 4396 WT0 2900 TIP3 H2 HT 0.417000 1.0080 0 + 4397 WT0 2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 0 + 4419 WT0 2911 TIP3 H1 HT 0.417000 1.0080 0 + 4420 WT0 2911 TIP3 H2 HT 0.417000 1.0080 0 + 4421 WT0 2913 TIP3 OH2 OT -0.834000 15.9994 0 + 4422 WT0 2913 TIP3 H1 HT 0.417000 1.0080 0 + 4423 WT0 2913 TIP3 H2 HT 0.417000 1.0080 0 + 4424 WT0 2918 TIP3 OH2 OT -0.834000 15.9994 0 + 4425 WT0 2918 TIP3 H1 HT 0.417000 1.0080 0 + 4426 WT0 2918 TIP3 H2 HT 0.417000 1.0080 0 + 4427 WT0 2919 TIP3 OH2 OT -0.834000 15.9994 0 + 4428 WT0 2919 TIP3 H1 HT 0.417000 1.0080 0 + 4429 WT0 2919 TIP3 H2 HT 0.417000 1.0080 0 + 4430 WT0 2922 TIP3 OH2 OT -0.834000 15.9994 0 + 4431 WT0 2922 TIP3 H1 HT 0.417000 1.0080 0 + 4432 WT0 2922 TIP3 H2 HT 0.417000 1.0080 0 + 4433 WT0 2923 TIP3 OH2 OT -0.834000 15.9994 0 + 4434 WT0 2923 TIP3 H1 HT 0.417000 1.0080 0 + 4435 WT0 2923 TIP3 H2 HT 0.417000 1.0080 0 + 4436 WT0 2925 TIP3 OH2 OT -0.834000 15.9994 0 + 4437 WT0 2925 TIP3 H1 HT 0.417000 1.0080 0 + 4438 WT0 2925 TIP3 H2 HT 0.417000 1.0080 0 + 4439 WT0 2927 TIP3 OH2 OT -0.834000 15.9994 0 + 4440 WT0 2927 TIP3 H1 HT 0.417000 1.0080 0 + 4441 WT0 2927 TIP3 H2 HT 0.417000 1.0080 0 + 4442 WT0 2928 TIP3 OH2 OT -0.834000 15.9994 0 + 4443 WT0 2928 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 4466 WT0 2943 TIP3 OH2 OT -0.834000 15.9994 0 + 4467 WT0 2943 TIP3 H1 HT 0.417000 1.0080 0 + 4468 WT0 2943 TIP3 H2 HT 0.417000 1.0080 0 + 4469 WT0 2944 TIP3 OH2 OT -0.834000 15.9994 0 + 4470 WT0 2944 TIP3 H1 HT 0.417000 1.0080 0 + 4471 WT0 2944 TIP3 H2 HT 0.417000 1.0080 0 + 4472 WT0 2946 TIP3 OH2 OT -0.834000 15.9994 0 + 4473 WT0 2946 TIP3 H1 HT 0.417000 1.0080 0 + 4474 WT0 2946 TIP3 H2 HT 0.417000 1.0080 0 + 4475 WT0 2951 TIP3 OH2 OT -0.834000 15.9994 0 + 4476 WT0 2951 TIP3 H1 HT 0.417000 1.0080 0 + 4477 WT0 2951 TIP3 H2 HT 0.417000 1.0080 0 + 4478 WT0 2952 TIP3 OH2 OT -0.834000 15.9994 0 + 4479 WT0 2952 TIP3 H1 HT 0.417000 1.0080 0 + 4480 WT0 2952 TIP3 H2 HT 0.417000 1.0080 0 + 4481 WT0 2953 TIP3 OH2 OT -0.834000 15.9994 0 + 4482 WT0 2953 TIP3 H1 HT 0.417000 1.0080 0 + 4483 WT0 2953 TIP3 H2 HT 0.417000 1.0080 0 + 4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT -0.834000 15.9994 0 + 4506 WT0 2967 TIP3 H1 HT 0.417000 1.0080 0 + 4507 WT0 2967 TIP3 H2 HT 0.417000 1.0080 0 + 4508 WT0 2969 TIP3 OH2 OT -0.834000 15.9994 0 + 4509 WT0 2969 TIP3 H1 HT 0.417000 1.0080 0 + 4510 WT0 2969 TIP3 H2 HT 0.417000 1.0080 0 + 4511 WT0 2972 TIP3 OH2 OT -0.834000 15.9994 0 + 4512 WT0 2972 TIP3 H1 HT 0.417000 1.0080 0 + 4513 WT0 2972 TIP3 H2 HT 0.417000 1.0080 0 + 4514 WT0 2975 TIP3 OH2 OT -0.834000 15.9994 0 + 4515 WT0 2975 TIP3 H1 HT 0.417000 1.0080 0 + 4516 WT0 2975 TIP3 H2 HT 0.417000 1.0080 0 + 4517 WT0 2979 TIP3 OH2 OT -0.834000 15.9994 0 + 4518 WT0 2979 TIP3 H1 HT 0.417000 1.0080 0 + 4519 WT0 2979 TIP3 H2 HT 0.417000 1.0080 0 + 4520 WT0 2983 TIP3 OH2 OT -0.834000 15.9994 0 + 4521 WT0 2983 TIP3 H1 HT 0.417000 1.0080 0 + 4522 WT0 2983 TIP3 H2 HT 0.417000 1.0080 0 + 4523 WT0 2986 TIP3 OH2 OT -0.834000 15.9994 0 + 4524 WT0 2986 TIP3 H1 HT 0.417000 1.0080 0 + 4525 WT0 2986 TIP3 H2 HT 0.417000 1.0080 0 + 4526 WT0 2988 TIP3 OH2 OT -0.834000 15.9994 0 + 4527 WT0 2988 TIP3 H1 HT 0.417000 1.0080 0 + 4528 WT0 2988 TIP3 H2 HT 0.417000 1.0080 0 + 4529 WT0 2989 TIP3 OH2 OT -0.834000 15.9994 0 + 4530 WT0 2989 TIP3 H1 HT 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TIP3 H2 HT 0.417000 1.0080 0 + 4553 WT0 3011 TIP3 OH2 OT -0.834000 15.9994 0 + 4554 WT0 3011 TIP3 H1 HT 0.417000 1.0080 0 + 4555 WT0 3011 TIP3 H2 HT 0.417000 1.0080 0 + 4556 WT0 3012 TIP3 OH2 OT -0.834000 15.9994 0 + 4557 WT0 3012 TIP3 H1 HT 0.417000 1.0080 0 + 4558 WT0 3012 TIP3 H2 HT 0.417000 1.0080 0 + 4559 WT0 3013 TIP3 OH2 OT -0.834000 15.9994 0 + 4560 WT0 3013 TIP3 H1 HT 0.417000 1.0080 0 + 4561 WT0 3013 TIP3 H2 HT 0.417000 1.0080 0 + 4562 WT0 3016 TIP3 OH2 OT -0.834000 15.9994 0 + 4563 WT0 3016 TIP3 H1 HT 0.417000 1.0080 0 + 4564 WT0 3016 TIP3 H2 HT 0.417000 1.0080 0 + 4565 WT0 3017 TIP3 OH2 OT -0.834000 15.9994 0 + 4566 WT0 3017 TIP3 H1 HT 0.417000 1.0080 0 + 4567 WT0 3017 TIP3 H2 HT 0.417000 1.0080 0 + 4568 WT0 3022 TIP3 OH2 OT -0.834000 15.9994 0 + 4569 WT0 3022 TIP3 H1 HT 0.417000 1.0080 0 + 4570 WT0 3022 TIP3 H2 HT 0.417000 1.0080 0 + 4571 WT0 3027 TIP3 OH2 OT -0.834000 15.9994 0 + 4572 WT0 3027 TIP3 H1 HT 0.417000 1.0080 0 + 4573 WT0 3027 TIP3 H2 HT 0.417000 1.0080 0 + 4574 WT0 3029 TIP3 OH2 OT -0.834000 15.9994 0 + 4575 WT0 3029 TIP3 H1 HT 0.417000 1.0080 0 + 4576 WT0 3029 TIP3 H2 HT 0.417000 1.0080 0 + 4577 WT0 3030 TIP3 OH2 OT -0.834000 15.9994 0 + 4578 WT0 3030 TIP3 H1 HT 0.417000 1.0080 0 + 4579 WT0 3030 TIP3 H2 HT 0.417000 1.0080 0 + 4580 WT0 3031 TIP3 OH2 OT -0.834000 15.9994 0 + 4581 WT0 3031 TIP3 H1 HT 0.417000 1.0080 0 + 4582 WT0 3031 TIP3 H2 HT 0.417000 1.0080 0 + 4583 WT0 3033 TIP3 OH2 OT -0.834000 15.9994 0 + 4584 WT0 3033 TIP3 H1 HT 0.417000 1.0080 0 + 4585 WT0 3033 TIP3 H2 HT 0.417000 1.0080 0 + 4586 WT0 3037 TIP3 OH2 OT -0.834000 15.9994 0 + 4587 WT0 3037 TIP3 H1 HT 0.417000 1.0080 0 + 4588 WT0 3037 TIP3 H2 HT 0.417000 1.0080 0 + 4589 WT0 3046 TIP3 OH2 OT -0.834000 15.9994 0 + 4590 WT0 3046 TIP3 H1 HT 0.417000 1.0080 0 + 4591 WT0 3046 TIP3 H2 HT 0.417000 1.0080 0 + 4592 WT0 3048 TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT 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3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 4813 WT0 3205 TIP3 H2 HT 0.417000 1.0080 0 + 4814 WT0 3207 TIP3 OH2 OT -0.834000 15.9994 0 + 4815 WT0 3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 + 4831 WT0 3221 TIP3 H2 HT 0.417000 1.0080 0 + 4832 WT0 3223 TIP3 OH2 OT -0.834000 15.9994 0 + 4833 WT0 3223 TIP3 H1 HT 0.417000 1.0080 0 + 4834 WT0 3223 TIP3 H2 HT 0.417000 1.0080 0 + 4835 WT0 3224 TIP3 OH2 OT -0.834000 15.9994 0 + 4836 WT0 3224 TIP3 H1 HT 0.417000 1.0080 0 + 4837 WT0 3224 TIP3 H2 HT 0.417000 1.0080 0 + 4838 WT0 3225 TIP3 OH2 OT -0.834000 15.9994 0 + 4839 WT0 3225 TIP3 H1 HT 0.417000 1.0080 0 + 4840 WT0 3225 TIP3 H2 HT 0.417000 1.0080 0 + 4841 WT0 3226 TIP3 OH2 OT -0.834000 15.9994 0 + 4842 WT0 3226 TIP3 H1 HT 0.417000 1.0080 0 + 4843 WT0 3226 TIP3 H2 HT 0.417000 1.0080 0 + 4844 WT0 3227 TIP3 OH2 OT -0.834000 15.9994 0 + 4845 WT0 3227 TIP3 H1 HT 0.417000 1.0080 0 + 4846 WT0 3227 TIP3 H2 HT 0.417000 1.0080 0 + 4847 WT0 3228 TIP3 OH2 OT -0.834000 15.9994 0 + 4848 WT0 3228 TIP3 H1 HT 0.417000 1.0080 0 + 4849 WT0 3228 TIP3 H2 HT 0.417000 1.0080 0 + 4850 WT0 3233 TIP3 OH2 OT -0.834000 15.9994 0 + 4851 WT0 3233 TIP3 H1 HT 0.417000 1.0080 0 + 4852 WT0 3233 TIP3 H2 HT 0.417000 1.0080 0 + 4853 WT0 3234 TIP3 OH2 OT -0.834000 15.9994 0 + 4854 WT0 3234 TIP3 H1 HT 0.417000 1.0080 0 + 4855 WT0 3234 TIP3 H2 HT 0.417000 1.0080 0 + 4856 WT0 3236 TIP3 OH2 OT -0.834000 15.9994 0 + 4857 WT0 3236 TIP3 H1 HT 0.417000 1.0080 0 + 4858 WT0 3236 TIP3 H2 HT 0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT 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3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 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3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 + 5113 WT0 3390 TIP3 H2 HT 0.417000 1.0080 0 + 5114 WT0 3392 TIP3 OH2 OT -0.834000 15.9994 0 + 5115 WT0 3392 TIP3 H1 HT 0.417000 1.0080 0 + 5116 WT0 3392 TIP3 H2 HT 0.417000 1.0080 0 + 5117 WT0 3393 TIP3 OH2 OT -0.834000 15.9994 0 + 5118 WT0 3393 TIP3 H1 HT 0.417000 1.0080 0 + 5119 WT0 3393 TIP3 H2 HT 0.417000 1.0080 0 + 5120 WT0 3396 TIP3 OH2 OT -0.834000 15.9994 0 + 5121 WT0 3396 TIP3 H1 HT 0.417000 1.0080 0 + 5122 WT0 3396 TIP3 H2 HT 0.417000 1.0080 0 + 5123 WT0 3397 TIP3 OH2 OT -0.834000 15.9994 0 + 5124 WT0 3397 TIP3 H1 HT 0.417000 1.0080 0 + 5125 WT0 3397 TIP3 H2 HT 0.417000 1.0080 0 + 5126 WT0 3401 TIP3 OH2 OT -0.834000 15.9994 0 + 5127 WT0 3401 TIP3 H1 HT 0.417000 1.0080 0 + 5128 WT0 3401 TIP3 H2 HT 0.417000 1.0080 0 + 5129 WT0 3402 TIP3 OH2 OT -0.834000 15.9994 0 + 5130 WT0 3402 TIP3 H1 HT 0.417000 1.0080 0 + 5131 WT0 3402 TIP3 H2 HT 0.417000 1.0080 0 + 5132 WT0 3404 TIP3 OH2 OT -0.834000 15.9994 0 + 5133 WT0 3404 TIP3 H1 HT 0.417000 1.0080 0 + 5134 WT0 3404 TIP3 H2 HT 0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT 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3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 + 5416 WT0 3628 TIP3 H2 HT 0.417000 1.0080 0 + 5417 WT0 3629 TIP3 OH2 OT -0.834000 15.9994 0 + 5418 WT0 3629 TIP3 H1 HT 0.417000 1.0080 0 + 5419 WT0 3629 TIP3 H2 HT 0.417000 1.0080 0 + 5420 WT0 3633 TIP3 OH2 OT -0.834000 15.9994 0 + 5421 WT0 3633 TIP3 H1 HT 0.417000 1.0080 0 + 5422 WT0 3633 TIP3 H2 HT 0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT -0.834000 15.9994 0 + 5922 WT0 3997 TIP3 H1 HT 0.417000 1.0080 0 + 5923 WT0 3997 TIP3 H2 HT 0.417000 1.0080 0 + 5924 WT0 3998 TIP3 OH2 OT -0.834000 15.9994 0 + 5925 WT0 3998 TIP3 H1 HT 0.417000 1.0080 0 + 5926 WT0 3998 TIP3 H2 HT 0.417000 1.0080 0 + 5927 WT0 3999 TIP3 OH2 OT -0.834000 15.9994 0 + 5928 WT0 3999 TIP3 H1 HT 0.417000 1.0080 0 + 5929 WT0 3999 TIP3 H2 HT 0.417000 1.0080 0 + 5930 WT0 4000 TIP3 OH2 OT -0.834000 15.9994 0 + 5931 WT0 4000 TIP3 H1 HT 0.417000 1.0080 0 + 5932 WT0 4000 TIP3 H2 HT 0.417000 1.0080 0 + 5933 WT0 4001 TIP3 OH2 OT -0.834000 15.9994 0 + 5934 WT0 4001 TIP3 H1 HT 0.417000 1.0080 0 + 5935 WT0 4001 TIP3 H2 HT 0.417000 1.0080 0 + 5936 WT0 4002 TIP3 OH2 OT -0.834000 15.9994 0 + 5937 WT0 4002 TIP3 H1 HT 0.417000 1.0080 0 + 5938 WT0 4002 TIP3 H2 HT 0.417000 1.0080 0 + 5939 WT0 4004 TIP3 OH2 OT -0.834000 15.9994 0 + 5940 WT0 4004 TIP3 H1 HT 0.417000 1.0080 0 + 5941 WT0 4004 TIP3 H2 HT 0.417000 1.0080 0 + 5942 WT0 4005 TIP3 OH2 OT -0.834000 15.9994 0 + 5943 WT0 4005 TIP3 H1 HT 0.417000 1.0080 0 + 5944 WT0 4005 TIP3 H2 HT 0.417000 1.0080 0 + 5945 WT0 4006 TIP3 OH2 OT -0.834000 15.9994 0 + 5946 WT0 4006 TIP3 H1 HT 0.417000 1.0080 0 + 5947 WT0 4006 TIP3 H2 HT 0.417000 1.0080 0 + 5948 WT0 4008 TIP3 OH2 OT -0.834000 15.9994 0 + 5949 WT0 4008 TIP3 H1 HT 0.417000 1.0080 0 + 5950 WT0 4008 TIP3 H2 HT 0.417000 1.0080 0 + 5951 WT0 4009 TIP3 OH2 OT -0.834000 15.9994 0 + 5952 WT0 4009 TIP3 H1 HT 0.417000 1.0080 0 + 5953 WT0 4009 TIP3 H2 HT 0.417000 1.0080 0 + 5954 WT0 4010 TIP3 OH2 OT -0.834000 15.9994 0 + 5955 WT0 4010 TIP3 H1 HT 0.417000 1.0080 0 + 5956 WT0 4010 TIP3 H2 HT 0.417000 1.0080 0 + 5957 WT0 4012 TIP3 OH2 OT -0.834000 15.9994 0 + 5958 WT0 4012 TIP3 H1 HT 0.417000 1.0080 0 + 5959 WT0 4012 TIP3 H2 HT 0.417000 1.0080 0 + 5960 WT0 4014 TIP3 OH2 OT -0.834000 15.9994 0 + 5961 WT0 4014 TIP3 H1 HT 0.417000 1.0080 0 + 5962 WT0 4014 TIP3 H2 HT 0.417000 1.0080 0 + 5963 WT0 4015 TIP3 OH2 OT -0.834000 15.9994 0 + 5964 WT0 4015 TIP3 H1 HT 0.417000 1.0080 0 + 5965 WT0 4015 TIP3 H2 HT 0.417000 1.0080 0 + 5966 WT0 4016 TIP3 OH2 OT -0.834000 15.9994 0 + 5967 WT0 4016 TIP3 H1 HT 0.417000 1.0080 0 + 5968 WT0 4016 TIP3 H2 HT 0.417000 1.0080 0 + 5969 WT0 4017 TIP3 OH2 OT -0.834000 15.9994 0 + 5970 WT0 4017 TIP3 H1 HT 0.417000 1.0080 0 + 5971 WT0 4017 TIP3 H2 HT 0.417000 1.0080 0 + 5972 WT0 4018 TIP3 OH2 OT -0.834000 15.9994 0 + 5973 WT0 4018 TIP3 H1 HT 0.417000 1.0080 0 + 5974 WT0 4018 TIP3 H2 HT 0.417000 1.0080 0 + 5975 WT0 4019 TIP3 OH2 OT -0.834000 15.9994 0 + 5976 WT0 4019 TIP3 H1 HT 0.417000 1.0080 0 + 5977 WT0 4019 TIP3 H2 HT 0.417000 1.0080 0 + 5978 WT0 4021 TIP3 OH2 OT -0.834000 15.9994 0 + 5979 WT0 4021 TIP3 H1 HT 0.417000 1.0080 0 + 5980 WT0 4021 TIP3 H2 HT 0.417000 1.0080 0 + 5981 WT0 4022 TIP3 OH2 OT -0.834000 15.9994 0 + 5982 WT0 4022 TIP3 H1 HT 0.417000 1.0080 0 + 5983 WT0 4022 TIP3 H2 HT 0.417000 1.0080 0 + 5984 WT0 4026 TIP3 OH2 OT -0.834000 15.9994 0 + 5985 WT0 4026 TIP3 H1 HT 0.417000 1.0080 0 + 5986 WT0 4026 TIP3 H2 HT 0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 1.0080 0 + 5995 WT0 4035 TIP3 H2 HT 0.417000 1.0080 0 + 5996 WT0 4036 TIP3 OH2 OT -0.834000 15.9994 0 + 5997 WT0 4036 TIP3 H1 HT 0.417000 1.0080 0 + 5998 WT0 4036 TIP3 H2 HT 0.417000 1.0080 0 + 5999 WT0 4037 TIP3 OH2 OT -0.834000 15.9994 0 + 6000 WT0 4037 TIP3 H1 HT 0.417000 1.0080 0 + 6001 WT0 4037 TIP3 H2 HT 0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 1.0080 0 + 6046 WT0 4063 TIP3 H2 HT 0.417000 1.0080 0 + 6047 WT0 4064 TIP3 OH2 OT -0.834000 15.9994 0 + 6048 WT0 4064 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 0 + 6111 WT0 4099 TIP3 H1 HT 0.417000 1.0080 0 + 6112 WT0 4099 TIP3 H2 HT 0.417000 1.0080 0 + 6113 WT0 4101 TIP3 OH2 OT -0.834000 15.9994 0 + 6114 WT0 4101 TIP3 H1 HT 0.417000 1.0080 0 + 6115 WT0 4101 TIP3 H2 HT 0.417000 1.0080 0 + 6116 WT0 4103 TIP3 OH2 OT -0.834000 15.9994 0 + 6117 WT0 4103 TIP3 H1 HT 0.417000 1.0080 0 + 6118 WT0 4103 TIP3 H2 HT 0.417000 1.0080 0 + 6119 WT0 4105 TIP3 OH2 OT -0.834000 15.9994 0 + 6120 WT0 4105 TIP3 H1 HT 0.417000 1.0080 0 + 6121 WT0 4105 TIP3 H2 HT 0.417000 1.0080 0 + 6122 WT0 4106 TIP3 OH2 OT -0.834000 15.9994 0 + 6123 WT0 4106 TIP3 H1 HT 0.417000 1.0080 0 + 6124 WT0 4106 TIP3 H2 HT 0.417000 1.0080 0 + 6125 WT0 4107 TIP3 OH2 OT -0.834000 15.9994 0 + 6126 WT0 4107 TIP3 H1 HT 0.417000 1.0080 0 + 6127 WT0 4107 TIP3 H2 HT 0.417000 1.0080 0 + 6128 WT0 4108 TIP3 OH2 OT -0.834000 15.9994 0 + 6129 WT0 4108 TIP3 H1 HT 0.417000 1.0080 0 + 6130 WT0 4108 TIP3 H2 HT 0.417000 1.0080 0 + 6131 WT0 4109 TIP3 OH2 OT -0.834000 15.9994 0 + 6132 WT0 4109 TIP3 H1 HT 0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 1.0080 0 + 6187 WT0 4147 TIP3 H2 HT 0.417000 1.0080 0 + 6188 WT0 4148 TIP3 OH2 OT -0.834000 15.9994 0 + 6189 WT0 4148 TIP3 H1 HT 0.417000 1.0080 0 + 6190 WT0 4148 TIP3 H2 HT 0.417000 1.0080 0 + 6191 WT0 4149 TIP3 OH2 OT -0.834000 15.9994 0 + 6192 WT0 4149 TIP3 H1 HT 0.417000 1.0080 0 + 6193 WT0 4149 TIP3 H2 HT 0.417000 1.0080 0 + 6194 WT0 4150 TIP3 OH2 OT -0.834000 15.9994 0 + 6195 WT0 4150 TIP3 H1 HT 0.417000 1.0080 0 + 6196 WT0 4150 TIP3 H2 HT 0.417000 1.0080 0 + 6197 WT0 4151 TIP3 OH2 OT -0.834000 15.9994 0 + 6198 WT0 4151 TIP3 H1 HT 0.417000 1.0080 0 + 6199 WT0 4151 TIP3 H2 HT 0.417000 1.0080 0 + 6200 WT0 4152 TIP3 OH2 OT -0.834000 15.9994 0 + 6201 WT0 4152 TIP3 H1 HT 0.417000 1.0080 0 + 6202 WT0 4152 TIP3 H2 HT 0.417000 1.0080 0 + 6203 WT0 4157 TIP3 OH2 OT -0.834000 15.9994 0 + 6204 WT0 4157 TIP3 H1 HT 0.417000 1.0080 0 + 6205 WT0 4157 TIP3 H2 HT 0.417000 1.0080 0 + 6206 WT0 4158 TIP3 OH2 OT -0.834000 15.9994 0 + 6207 WT0 4158 TIP3 H1 HT 0.417000 1.0080 0 + 6208 WT0 4158 TIP3 H2 HT 0.417000 1.0080 0 + 6209 WT0 4159 TIP3 OH2 OT -0.834000 15.9994 0 + 6210 WT0 4159 TIP3 H1 HT 0.417000 1.0080 0 + 6211 WT0 4159 TIP3 H2 HT 0.417000 1.0080 0 + 6212 WT0 4161 TIP3 OH2 OT -0.834000 15.9994 0 + 6213 WT0 4161 TIP3 H1 HT 0.417000 1.0080 0 + 6214 WT0 4161 TIP3 H2 HT 0.417000 1.0080 0 + 6215 WT0 4164 TIP3 OH2 OT -0.834000 15.9994 0 + 6216 WT0 4164 TIP3 H1 HT 0.417000 1.0080 0 + 6217 WT0 4164 TIP3 H2 HT 0.417000 1.0080 0 + 6218 WT0 4166 TIP3 OH2 OT -0.834000 15.9994 0 + 6219 WT0 4166 TIP3 H1 HT 0.417000 1.0080 0 + 6220 WT0 4166 TIP3 H2 HT 0.417000 1.0080 0 + 6221 WT0 4168 TIP3 OH2 OT -0.834000 15.9994 0 + 6222 WT0 4168 TIP3 H1 HT 0.417000 1.0080 0 + 6223 WT0 4168 TIP3 H2 HT 0.417000 1.0080 0 + 6224 WT0 4170 TIP3 OH2 OT -0.834000 15.9994 0 + 6225 WT0 4170 TIP3 H1 HT 0.417000 1.0080 0 + 6226 WT0 4170 TIP3 H2 HT 0.417000 1.0080 0 + 6227 WT0 4171 TIP3 OH2 OT -0.834000 15.9994 0 + 6228 WT0 4171 TIP3 H1 HT 0.417000 1.0080 0 + 6229 WT0 4171 TIP3 H2 HT 0.417000 1.0080 0 + 6230 WT0 4172 TIP3 OH2 OT -0.834000 15.9994 0 + 6231 WT0 4172 TIP3 H1 HT 0.417000 1.0080 0 + 6232 WT0 4172 TIP3 H2 HT 0.417000 1.0080 0 + 6233 WT0 4176 TIP3 OH2 OT -0.834000 15.9994 0 + 6234 WT0 4176 TIP3 H1 HT 0.417000 1.0080 0 + 6235 WT0 4176 TIP3 H2 HT 0.417000 1.0080 0 + 6236 WT0 4179 TIP3 OH2 OT -0.834000 15.9994 0 + 6237 WT0 4179 TIP3 H1 HT 0.417000 1.0080 0 + 6238 WT0 4179 TIP3 H2 HT 0.417000 1.0080 0 + 6239 WT0 4181 TIP3 OH2 OT -0.834000 15.9994 0 + 6240 WT0 4181 TIP3 H1 HT 0.417000 1.0080 0 + 6241 WT0 4181 TIP3 H2 HT 0.417000 1.0080 0 + 6242 WT0 4182 TIP3 OH2 OT -0.834000 15.9994 0 + 6243 WT0 4182 TIP3 H1 HT 0.417000 1.0080 0 + 6244 WT0 4182 TIP3 H2 HT 0.417000 1.0080 0 + 6245 WT0 4183 TIP3 OH2 OT -0.834000 15.9994 0 + 6246 WT0 4183 TIP3 H1 HT 0.417000 1.0080 0 + 6247 WT0 4183 TIP3 H2 HT 0.417000 1.0080 0 + 6248 WT0 4184 TIP3 OH2 OT -0.834000 15.9994 0 + 6249 WT0 4184 TIP3 H1 HT 0.417000 1.0080 0 + 6250 WT0 4184 TIP3 H2 HT 0.417000 1.0080 0 + 6251 WT0 4186 TIP3 OH2 OT -0.834000 15.9994 0 + 6252 WT0 4186 TIP3 H1 HT 0.417000 1.0080 0 + 6253 WT0 4186 TIP3 H2 HT 0.417000 1.0080 0 + 6254 WT0 4187 TIP3 OH2 OT -0.834000 15.9994 0 + 6255 WT0 4187 TIP3 H1 HT 0.417000 1.0080 0 + 6256 WT0 4187 TIP3 H2 HT 0.417000 1.0080 0 + 6257 WT0 4189 TIP3 OH2 OT -0.834000 15.9994 0 + 6258 WT0 4189 TIP3 H1 HT 0.417000 1.0080 0 + 6259 WT0 4189 TIP3 H2 HT 0.417000 1.0080 0 + 6260 WT0 4190 TIP3 OH2 OT -0.834000 15.9994 0 + 6261 WT0 4190 TIP3 H1 HT 0.417000 1.0080 0 + 6262 WT0 4190 TIP3 H2 HT 0.417000 1.0080 0 + 6263 WT0 4191 TIP3 OH2 OT -0.834000 15.9994 0 + 6264 WT0 4191 TIP3 H1 HT 0.417000 1.0080 0 + 6265 WT0 4191 TIP3 H2 HT 0.417000 1.0080 0 + 6266 WT0 4192 TIP3 OH2 OT -0.834000 15.9994 0 + 6267 WT0 4192 TIP3 H1 HT 0.417000 1.0080 0 + 6268 WT0 4192 TIP3 H2 HT 0.417000 1.0080 0 + 6269 WT0 4194 TIP3 OH2 OT -0.834000 15.9994 0 + 6270 WT0 4194 TIP3 H1 HT 0.417000 1.0080 0 + 6271 WT0 4194 TIP3 H2 HT 0.417000 1.0080 0 + 6272 WT0 4198 TIP3 OH2 OT -0.834000 15.9994 0 + 6273 WT0 4198 TIP3 H1 HT 0.417000 1.0080 0 + 6274 WT0 4198 TIP3 H2 HT 0.417000 1.0080 0 + 6275 WT0 4200 TIP3 OH2 OT -0.834000 15.9994 0 + 6276 WT0 4200 TIP3 H1 HT 0.417000 1.0080 0 + 6277 WT0 4200 TIP3 H2 HT 0.417000 1.0080 0 + 6278 WT0 4201 TIP3 OH2 OT -0.834000 15.9994 0 + 6279 WT0 4201 TIP3 H1 HT 0.417000 1.0080 0 + 6280 WT0 4201 TIP3 H2 HT 0.417000 1.0080 0 + 6281 WT0 4202 TIP3 OH2 OT -0.834000 15.9994 0 + 6282 WT0 4202 TIP3 H1 HT 0.417000 1.0080 0 + 6283 WT0 4202 TIP3 H2 HT 0.417000 1.0080 0 + 6284 WT0 4205 TIP3 OH2 OT -0.834000 15.9994 0 + 6285 WT0 4205 TIP3 H1 HT 0.417000 1.0080 0 + 6286 WT0 4205 TIP3 H2 HT 0.417000 1.0080 0 + 6287 WT0 4206 TIP3 OH2 OT 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4213 TIP3 H1 HT 0.417000 1.0080 0 + 6310 WT0 4213 TIP3 H2 HT 0.417000 1.0080 0 + 6311 WT0 4215 TIP3 OH2 OT -0.834000 15.9994 0 + 6312 WT0 4215 TIP3 H1 HT 0.417000 1.0080 0 + 6313 WT0 4215 TIP3 H2 HT 0.417000 1.0080 0 + 6314 WT0 4216 TIP3 OH2 OT -0.834000 15.9994 0 + 6315 WT0 4216 TIP3 H1 HT 0.417000 1.0080 0 + 6316 WT0 4216 TIP3 H2 HT 0.417000 1.0080 0 + 6317 WT0 4218 TIP3 OH2 OT -0.834000 15.9994 0 + 6318 WT0 4218 TIP3 H1 HT 0.417000 1.0080 0 + 6319 WT0 4218 TIP3 H2 HT 0.417000 1.0080 0 + 6320 WT0 4219 TIP3 OH2 OT -0.834000 15.9994 0 + 6321 WT0 4219 TIP3 H1 HT 0.417000 1.0080 0 + 6322 WT0 4219 TIP3 H2 HT 0.417000 1.0080 0 + 6323 WT0 4224 TIP3 OH2 OT -0.834000 15.9994 0 + 6324 WT0 4224 TIP3 H1 HT 0.417000 1.0080 0 + 6325 WT0 4224 TIP3 H2 HT 0.417000 1.0080 0 + 6326 WT0 4225 TIP3 OH2 OT -0.834000 15.9994 0 + 6327 WT0 4225 TIP3 H1 HT 0.417000 1.0080 0 + 6328 WT0 4225 TIP3 H2 HT 0.417000 1.0080 0 + 6329 WT0 4226 TIP3 OH2 OT -0.834000 15.9994 0 + 6330 WT0 4226 TIP3 H1 HT 0.417000 1.0080 0 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6396 WT0 4266 TIP3 H1 HT 0.417000 1.0080 0 + 6397 WT0 4266 TIP3 H2 HT 0.417000 1.0080 0 + 6398 WT0 4268 TIP3 OH2 OT -0.834000 15.9994 0 + 6399 WT0 4268 TIP3 H1 HT 0.417000 1.0080 0 + 6400 WT0 4268 TIP3 H2 HT 0.417000 1.0080 0 + 6401 WT0 4270 TIP3 OH2 OT -0.834000 15.9994 0 + 6402 WT0 4270 TIP3 H1 HT 0.417000 1.0080 0 + 6403 WT0 4270 TIP3 H2 HT 0.417000 1.0080 0 + 6404 WT0 4271 TIP3 OH2 OT -0.834000 15.9994 0 + 6405 WT0 4271 TIP3 H1 HT 0.417000 1.0080 0 + 6406 WT0 4271 TIP3 H2 HT 0.417000 1.0080 0 + 6407 WT0 4272 TIP3 OH2 OT -0.834000 15.9994 0 + 6408 WT0 4272 TIP3 H1 HT 0.417000 1.0080 0 + 6409 WT0 4272 TIP3 H2 HT 0.417000 1.0080 0 + 6410 WT0 4274 TIP3 OH2 OT -0.834000 15.9994 0 + 6411 WT0 4274 TIP3 H1 HT 0.417000 1.0080 0 + 6412 WT0 4274 TIP3 H2 HT 0.417000 1.0080 0 + 6413 WT0 4277 TIP3 OH2 OT -0.834000 15.9994 0 + 6414 WT0 4277 TIP3 H1 HT 0.417000 1.0080 0 + 6415 WT0 4277 TIP3 H2 HT 0.417000 1.0080 0 + 6416 WT0 4278 TIP3 OH2 OT -0.834000 15.9994 0 + 6417 WT0 4278 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 6440 WT0 4294 TIP3 OH2 OT -0.834000 15.9994 0 + 6441 WT0 4294 TIP3 H1 HT 0.417000 1.0080 0 + 6442 WT0 4294 TIP3 H2 HT 0.417000 1.0080 0 + 6443 WT0 4295 TIP3 OH2 OT -0.834000 15.9994 0 + 6444 WT0 4295 TIP3 H1 HT 0.417000 1.0080 0 + 6445 WT0 4295 TIP3 H2 HT 0.417000 1.0080 0 + 6446 WT0 4296 TIP3 OH2 OT -0.834000 15.9994 0 + 6447 WT0 4296 TIP3 H1 HT 0.417000 1.0080 0 + 6448 WT0 4296 TIP3 H2 HT 0.417000 1.0080 0 + 6449 WT0 4297 TIP3 OH2 OT -0.834000 15.9994 0 + 6450 WT0 4297 TIP3 H1 HT 0.417000 1.0080 0 + 6451 WT0 4297 TIP3 H2 HT 0.417000 1.0080 0 + 6452 WT0 4298 TIP3 OH2 OT -0.834000 15.9994 0 + 6453 WT0 4298 TIP3 H1 HT 0.417000 1.0080 0 + 6454 WT0 4298 TIP3 H2 HT 0.417000 1.0080 0 + 6455 WT0 4304 TIP3 OH2 OT -0.834000 15.9994 0 + 6456 WT0 4304 TIP3 H1 HT 0.417000 1.0080 0 + 6457 WT0 4304 TIP3 H2 HT 0.417000 1.0080 0 + 6458 WT0 4306 TIP3 OH2 OT -0.834000 15.9994 0 + 6459 WT0 4306 TIP3 H1 HT 0.417000 1.0080 0 + 6460 WT0 4306 TIP3 H2 HT 0.417000 1.0080 0 + 6461 WT0 4307 TIP3 OH2 OT -0.834000 15.9994 0 + 6462 WT0 4307 TIP3 H1 HT 0.417000 1.0080 0 + 6463 WT0 4307 TIP3 H2 HT 0.417000 1.0080 0 + 6464 WT0 4311 TIP3 OH2 OT -0.834000 15.9994 0 + 6465 WT0 4311 TIP3 H1 HT 0.417000 1.0080 0 + 6466 WT0 4311 TIP3 H2 HT 0.417000 1.0080 0 + 6467 WT0 4313 TIP3 OH2 OT -0.834000 15.9994 0 + 6468 WT0 4313 TIP3 H1 HT 0.417000 1.0080 0 + 6469 WT0 4313 TIP3 H2 HT 0.417000 1.0080 0 + 6470 WT0 4319 TIP3 OH2 OT -0.834000 15.9994 0 + 6471 WT0 4319 TIP3 H1 HT 0.417000 1.0080 0 + 6472 WT0 4319 TIP3 H2 HT 0.417000 1.0080 0 + 6473 WT0 4321 TIP3 OH2 OT -0.834000 15.9994 0 + 6474 WT0 4321 TIP3 H1 HT 0.417000 1.0080 0 + 6475 WT0 4321 TIP3 H2 HT 0.417000 1.0080 0 + 6476 WT0 4328 TIP3 OH2 OT -0.834000 15.9994 0 + 6477 WT0 4328 TIP3 H1 HT 0.417000 1.0080 0 + 6478 WT0 4328 TIP3 H2 HT 0.417000 1.0080 0 + 6479 WT0 4336 TIP3 OH2 OT -0.834000 15.9994 0 + 6480 WT0 4336 TIP3 H1 HT 0.417000 1.0080 0 + 6481 WT0 4336 TIP3 H2 HT 0.417000 1.0080 0 + 6482 WT0 4337 TIP3 OH2 OT -0.834000 15.9994 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6548 WT0 4437 TIP3 OH2 OT -0.834000 15.9994 0 + 6549 WT0 4437 TIP3 H1 HT 0.417000 1.0080 0 + 6550 WT0 4437 TIP3 H2 HT 0.417000 1.0080 0 + 6551 WT0 4441 TIP3 OH2 OT -0.834000 15.9994 0 + 6552 WT0 4441 TIP3 H1 HT 0.417000 1.0080 0 + 6553 WT0 4441 TIP3 H2 HT 0.417000 1.0080 0 + 6554 WT0 4442 TIP3 OH2 OT -0.834000 15.9994 0 + 6555 WT0 4442 TIP3 H1 HT 0.417000 1.0080 0 + 6556 WT0 4442 TIP3 H2 HT 0.417000 1.0080 0 + 6557 WT0 4443 TIP3 OH2 OT -0.834000 15.9994 0 + 6558 WT0 4443 TIP3 H1 HT 0.417000 1.0080 0 + 6559 WT0 4443 TIP3 H2 HT 0.417000 1.0080 0 + 6560 WT0 4446 TIP3 OH2 OT -0.834000 15.9994 0 + 6561 WT0 4446 TIP3 H1 HT 0.417000 1.0080 0 + 6562 WT0 4446 TIP3 H2 HT 0.417000 1.0080 0 + 6563 WT0 4451 TIP3 OH2 OT -0.834000 15.9994 0 + 6564 WT0 4451 TIP3 H1 HT 0.417000 1.0080 0 + 6565 WT0 4451 TIP3 H2 HT 0.417000 1.0080 0 + 6566 WT0 4453 TIP3 OH2 OT -0.834000 15.9994 0 + 6567 WT0 4453 TIP3 H1 HT 0.417000 1.0080 0 + 6568 WT0 4453 TIP3 H2 HT 0.417000 1.0080 0 + 6569 WT0 4455 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 6657 WT0 4506 TIP3 H1 HT 0.417000 1.0080 0 + 6658 WT0 4506 TIP3 H2 HT 0.417000 1.0080 0 + 6659 WT0 4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 + 6664 WT0 4508 TIP3 H2 HT 0.417000 1.0080 0 + 6665 WT0 4509 TIP3 OH2 OT -0.834000 15.9994 0 + 6666 WT0 4509 TIP3 H1 HT 0.417000 1.0080 0 + 6667 WT0 4509 TIP3 H2 HT 0.417000 1.0080 0 + 6668 WT0 4513 TIP3 OH2 OT -0.834000 15.9994 0 + 6669 WT0 4513 TIP3 H1 HT 0.417000 1.0080 0 + 6670 WT0 4513 TIP3 H2 HT 0.417000 1.0080 0 + 6671 WT0 4515 TIP3 OH2 OT -0.834000 15.9994 0 + 6672 WT0 4515 TIP3 H1 HT 0.417000 1.0080 0 + 6673 WT0 4515 TIP3 H2 HT 0.417000 1.0080 0 + 6674 WT0 4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 0 + 6681 WT0 4518 TIP3 H1 HT 0.417000 1.0080 0 + 6682 WT0 4518 TIP3 H2 HT 0.417000 1.0080 0 + 6683 WT0 4519 TIP3 OH2 OT -0.834000 15.9994 0 + 6684 WT0 4519 TIP3 H1 HT 0.417000 1.0080 0 + 6685 WT0 4519 TIP3 H2 HT 0.417000 1.0080 0 + 6686 WT0 4520 TIP3 OH2 OT -0.834000 15.9994 0 + 6687 WT0 4520 TIP3 H1 HT 0.417000 1.0080 0 + 6688 WT0 4520 TIP3 H2 HT 0.417000 1.0080 0 + 6689 WT0 4522 TIP3 OH2 OT -0.834000 15.9994 0 + 6690 WT0 4522 TIP3 H1 HT 0.417000 1.0080 0 + 6691 WT0 4522 TIP3 H2 HT 0.417000 1.0080 0 + 6692 WT0 4523 TIP3 OH2 OT -0.834000 15.9994 0 + 6693 WT0 4523 TIP3 H1 HT 0.417000 1.0080 0 + 6694 WT0 4523 TIP3 H2 HT 0.417000 1.0080 0 + 6695 WT0 4525 TIP3 OH2 OT -0.834000 15.9994 0 + 6696 WT0 4525 TIP3 H1 HT 0.417000 1.0080 0 + 6697 WT0 4525 TIP3 H2 HT 0.417000 1.0080 0 + 6698 WT0 4526 TIP3 OH2 OT -0.834000 15.9994 0 + 6699 WT0 4526 TIP3 H1 HT 0.417000 1.0080 0 + 6700 WT0 4526 TIP3 H2 HT 0.417000 1.0080 0 + 6701 WT0 4527 TIP3 OH2 OT -0.834000 15.9994 0 + 6702 WT0 4527 TIP3 H1 HT 0.417000 1.0080 0 + 6703 WT0 4527 TIP3 H2 HT 0.417000 1.0080 0 + 6704 WT0 4528 TIP3 OH2 OT -0.834000 15.9994 0 + 6705 WT0 4528 TIP3 H1 HT 0.417000 1.0080 0 + 6706 WT0 4528 TIP3 H2 HT 0.417000 1.0080 0 + 6707 WT0 4529 TIP3 OH2 OT -0.834000 15.9994 0 + 6708 WT0 4529 TIP3 H1 HT 0.417000 1.0080 0 + 6709 WT0 4529 TIP3 H2 HT 0.417000 1.0080 0 + 6710 WT0 4531 TIP3 OH2 OT -0.834000 15.9994 0 + 6711 WT0 4531 TIP3 H1 HT 0.417000 1.0080 0 + 6712 WT0 4531 TIP3 H2 HT 0.417000 1.0080 0 + 6713 WT0 4532 TIP3 OH2 OT -0.834000 15.9994 0 + 6714 WT0 4532 TIP3 H1 HT 0.417000 1.0080 0 + 6715 WT0 4532 TIP3 H2 HT 0.417000 1.0080 0 + 6716 WT0 4536 TIP3 OH2 OT -0.834000 15.9994 0 + 6717 WT0 4536 TIP3 H1 HT 0.417000 1.0080 0 + 6718 WT0 4536 TIP3 H2 HT 0.417000 1.0080 0 + 6719 WT0 4537 TIP3 OH2 OT -0.834000 15.9994 0 + 6720 WT0 4537 TIP3 H1 HT 0.417000 1.0080 0 + 6721 WT0 4537 TIP3 H2 HT 0.417000 1.0080 0 + 6722 WT0 4538 TIP3 OH2 OT -0.834000 15.9994 0 + 6723 WT0 4538 TIP3 H1 HT 0.417000 1.0080 0 + 6724 WT0 4538 TIP3 H2 HT 0.417000 1.0080 0 + 6725 WT0 4540 TIP3 OH2 OT -0.834000 15.9994 0 + 6726 WT0 4540 TIP3 H1 HT 0.417000 1.0080 0 + 6727 WT0 4540 TIP3 H2 HT 0.417000 1.0080 0 + 6728 WT0 4541 TIP3 OH2 OT -0.834000 15.9994 0 + 6729 WT0 4541 TIP3 H1 HT 0.417000 1.0080 0 + 6730 WT0 4541 TIP3 H2 HT 0.417000 1.0080 0 + 6731 WT0 4543 TIP3 OH2 OT -0.834000 15.9994 0 + 6732 WT0 4543 TIP3 H1 HT 0.417000 1.0080 0 + 6733 WT0 4543 TIP3 H2 HT 0.417000 1.0080 0 + 6734 WT0 4544 TIP3 OH2 OT -0.834000 15.9994 0 + 6735 WT0 4544 TIP3 H1 HT 0.417000 1.0080 0 + 6736 WT0 4544 TIP3 H2 HT 0.417000 1.0080 0 + 6737 WT0 4545 TIP3 OH2 OT -0.834000 15.9994 0 + 6738 WT0 4545 TIP3 H1 HT 0.417000 1.0080 0 + 6739 WT0 4545 TIP3 H2 HT 0.417000 1.0080 0 + 6740 WT0 4546 TIP3 OH2 OT -0.834000 15.9994 0 + 6741 WT0 4546 TIP3 H1 HT 0.417000 1.0080 0 + 6742 WT0 4546 TIP3 H2 HT 0.417000 1.0080 0 + 6743 WT0 4547 TIP3 OH2 OT -0.834000 15.9994 0 + 6744 WT0 4547 TIP3 H1 HT 0.417000 1.0080 0 + 6745 WT0 4547 TIP3 H2 HT 0.417000 1.0080 0 + 6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 + 6754 WT0 4550 TIP3 H2 HT 0.417000 1.0080 0 + 6755 WT0 4551 TIP3 OH2 OT -0.834000 15.9994 0 + 6756 WT0 4551 TIP3 H1 HT 0.417000 1.0080 0 + 6757 WT0 4551 TIP3 H2 HT 0.417000 1.0080 0 + 6758 WT0 4553 TIP3 OH2 OT -0.834000 15.9994 0 + 6759 WT0 4553 TIP3 H1 HT 0.417000 1.0080 0 + 6760 WT0 4553 TIP3 H2 HT 0.417000 1.0080 0 + 6761 WT0 4558 TIP3 OH2 OT -0.834000 15.9994 0 + 6762 WT0 4558 TIP3 H1 HT 0.417000 1.0080 0 + 6763 WT0 4558 TIP3 H2 HT 0.417000 1.0080 0 + 6764 WT0 4559 TIP3 OH2 OT -0.834000 15.9994 0 + 6765 WT0 4559 TIP3 H1 HT 0.417000 1.0080 0 + 6766 WT0 4559 TIP3 H2 HT 0.417000 1.0080 0 + 6767 WT0 4560 TIP3 OH2 OT -0.834000 15.9994 0 + 6768 WT0 4560 TIP3 H1 HT 0.417000 1.0080 0 + 6769 WT0 4560 TIP3 H2 HT 0.417000 1.0080 0 + 6770 WT0 4561 TIP3 OH2 OT -0.834000 15.9994 0 + 6771 WT0 4561 TIP3 H1 HT 0.417000 1.0080 0 + 6772 WT0 4561 TIP3 H2 HT 0.417000 1.0080 0 + 6773 WT0 4563 TIP3 OH2 OT -0.834000 15.9994 0 + 6774 WT0 4563 TIP3 H1 HT 0.417000 1.0080 0 + 6775 WT0 4563 TIP3 H2 HT 0.417000 1.0080 0 + 6776 WT0 4564 TIP3 OH2 OT -0.834000 15.9994 0 + 6777 WT0 4564 TIP3 H1 HT 0.417000 1.0080 0 + 6778 WT0 4564 TIP3 H2 HT 0.417000 1.0080 0 + 6779 WT0 4566 TIP3 OH2 OT -0.834000 15.9994 0 + 6780 WT0 4566 TIP3 H1 HT 0.417000 1.0080 0 + 6781 WT0 4566 TIP3 H2 HT 0.417000 1.0080 0 + 6782 WT0 4568 TIP3 OH2 OT -0.834000 15.9994 0 + 6783 WT0 4568 TIP3 H1 HT 0.417000 1.0080 0 + 6784 WT0 4568 TIP3 H2 HT 0.417000 1.0080 0 + 6785 WT0 4569 TIP3 OH2 OT -0.834000 15.9994 0 + 6786 WT0 4569 TIP3 H1 HT 0.417000 1.0080 0 + 6787 WT0 4569 TIP3 H2 HT 0.417000 1.0080 0 + 6788 WT0 4570 TIP3 OH2 OT -0.834000 15.9994 0 + 6789 WT0 4570 TIP3 H1 HT 0.417000 1.0080 0 + 6790 WT0 4570 TIP3 H2 HT 0.417000 1.0080 0 + 6791 WT0 4571 TIP3 OH2 OT -0.834000 15.9994 0 + 6792 WT0 4571 TIP3 H1 HT 0.417000 1.0080 0 + 6793 WT0 4571 TIP3 H2 HT 0.417000 1.0080 0 + 6794 WT0 4572 TIP3 OH2 OT -0.834000 15.9994 0 + 6795 WT0 4572 TIP3 H1 HT 0.417000 1.0080 0 + 6796 WT0 4572 TIP3 H2 HT 0.417000 1.0080 0 + 6797 WT0 4573 TIP3 OH2 OT -0.834000 15.9994 0 + 6798 WT0 4573 TIP3 H1 HT 0.417000 1.0080 0 + 6799 WT0 4573 TIP3 H2 HT 0.417000 1.0080 0 + 6800 WT0 4574 TIP3 OH2 OT -0.834000 15.9994 0 + 6801 WT0 4574 TIP3 H1 HT 0.417000 1.0080 0 + 6802 WT0 4574 TIP3 H2 HT 0.417000 1.0080 0 + 6803 WT0 4578 TIP3 OH2 OT -0.834000 15.9994 0 + 6804 WT0 4578 TIP3 H1 HT 0.417000 1.0080 0 + 6805 WT0 4578 TIP3 H2 HT 0.417000 1.0080 0 + 6806 WT0 4581 TIP3 OH2 OT -0.834000 15.9994 0 + 6807 WT0 4581 TIP3 H1 HT 0.417000 1.0080 0 + 6808 WT0 4581 TIP3 H2 HT 0.417000 1.0080 0 + 6809 WT0 4582 TIP3 OH2 OT -0.834000 15.9994 0 + 6810 WT0 4582 TIP3 H1 HT 0.417000 1.0080 0 + 6811 WT0 4582 TIP3 H2 HT 0.417000 1.0080 0 + 6812 WT0 4584 TIP3 OH2 OT -0.834000 15.9994 0 + 6813 WT0 4584 TIP3 H1 HT 0.417000 1.0080 0 + 6814 WT0 4584 TIP3 H2 HT 0.417000 1.0080 0 + 6815 WT0 4586 TIP3 OH2 OT -0.834000 15.9994 0 + 6816 WT0 4586 TIP3 H1 HT 0.417000 1.0080 0 + 6817 WT0 4586 TIP3 H2 HT 0.417000 1.0080 0 + 6818 WT0 4590 TIP3 OH2 OT -0.834000 15.9994 0 + 6819 WT0 4590 TIP3 H1 HT 0.417000 1.0080 0 + 6820 WT0 4590 TIP3 H2 HT 0.417000 1.0080 0 + 6821 WT0 4591 TIP3 OH2 OT -0.834000 15.9994 0 + 6822 WT0 4591 TIP3 H1 HT 0.417000 1.0080 0 + 6823 WT0 4591 TIP3 H2 HT 0.417000 1.0080 0 + 6824 WT0 4593 TIP3 OH2 OT -0.834000 15.9994 0 + 6825 WT0 4593 TIP3 H1 HT 0.417000 1.0080 0 + 6826 WT0 4593 TIP3 H2 HT 0.417000 1.0080 0 + 6827 WT0 4595 TIP3 OH2 OT -0.834000 15.9994 0 + 6828 WT0 4595 TIP3 H1 HT 0.417000 1.0080 0 + 6829 WT0 4595 TIP3 H2 HT 0.417000 1.0080 0 + 6830 WT0 4596 TIP3 OH2 OT -0.834000 15.9994 0 + 6831 WT0 4596 TIP3 H1 HT 0.417000 1.0080 0 + 6832 WT0 4596 TIP3 H2 HT 0.417000 1.0080 0 + 6833 WT0 4599 TIP3 OH2 OT -0.834000 15.9994 0 + 6834 WT0 4599 TIP3 H1 HT 0.417000 1.0080 0 + 6835 WT0 4599 TIP3 H2 HT 0.417000 1.0080 0 + 6836 WT0 4600 TIP3 OH2 OT -0.834000 15.9994 0 + 6837 WT0 4600 TIP3 H1 HT 0.417000 1.0080 0 + 6838 WT0 4600 TIP3 H2 HT 0.417000 1.0080 0 + 6839 WT0 4602 TIP3 OH2 OT -0.834000 15.9994 0 + 6840 WT0 4602 TIP3 H1 HT 0.417000 1.0080 0 + 6841 WT0 4602 TIP3 H2 HT 0.417000 1.0080 0 + 6842 WT0 4603 TIP3 OH2 OT -0.834000 15.9994 0 + 6843 WT0 4603 TIP3 H1 HT 0.417000 1.0080 0 + 6844 WT0 4603 TIP3 H2 HT 0.417000 1.0080 0 + 6845 WT0 4604 TIP3 OH2 OT -0.834000 15.9994 0 + 6846 WT0 4604 TIP3 H1 HT 0.417000 1.0080 0 + 6847 WT0 4604 TIP3 H2 HT 0.417000 1.0080 0 + 6848 WT0 4607 TIP3 OH2 OT -0.834000 15.9994 0 + 6849 WT0 4607 TIP3 H1 HT 0.417000 1.0080 0 + 6850 WT0 4607 TIP3 H2 HT 0.417000 1.0080 0 + 6851 WT0 4610 TIP3 OH2 OT 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4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT -0.834000 15.9994 0 + 7608 WT0 5137 TIP3 H1 HT 0.417000 1.0080 0 + 7609 WT0 5137 TIP3 H2 HT 0.417000 1.0080 0 + 7610 WT0 5138 TIP3 OH2 OT -0.834000 15.9994 0 + 7611 WT0 5138 TIP3 H1 HT 0.417000 1.0080 0 + 7612 WT0 5138 TIP3 H2 HT 0.417000 1.0080 0 + 7613 WT0 5140 TIP3 OH2 OT -0.834000 15.9994 0 + 7614 WT0 5140 TIP3 H1 HT 0.417000 1.0080 0 + 7615 WT0 5140 TIP3 H2 HT 0.417000 1.0080 0 + 7616 WT0 5146 TIP3 OH2 OT -0.834000 15.9994 0 + 7617 WT0 5146 TIP3 H1 HT 0.417000 1.0080 0 + 7618 WT0 5146 TIP3 H2 HT 0.417000 1.0080 0 + 7619 WT0 5149 TIP3 OH2 OT -0.834000 15.9994 0 + 7620 WT0 5149 TIP3 H1 HT 0.417000 1.0080 0 + 7621 WT0 5149 TIP3 H2 HT 0.417000 1.0080 0 + 7622 WT0 5151 TIP3 OH2 OT -0.834000 15.9994 0 + 7623 WT0 5151 TIP3 H1 HT 0.417000 1.0080 0 + 7624 WT0 5151 TIP3 H2 HT 0.417000 1.0080 0 + 7625 WT0 5152 TIP3 OH2 OT -0.834000 15.9994 0 + 7626 WT0 5152 TIP3 H1 HT 0.417000 1.0080 0 + 7627 WT0 5152 TIP3 H2 HT 0.417000 1.0080 0 + 7628 WT0 5153 TIP3 OH2 OT -0.834000 15.9994 0 + 7629 WT0 5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 + 7651 WT0 5164 TIP3 H2 HT 0.417000 1.0080 0 + 7652 WT0 5165 TIP3 OH2 OT -0.834000 15.9994 0 + 7653 WT0 5165 TIP3 H1 HT 0.417000 1.0080 0 + 7654 WT0 5165 TIP3 H2 HT 0.417000 1.0080 0 + 7655 WT0 5166 TIP3 OH2 OT -0.834000 15.9994 0 + 7656 WT0 5166 TIP3 H1 HT 0.417000 1.0080 0 + 7657 WT0 5166 TIP3 H2 HT 0.417000 1.0080 0 + 7658 WT0 5173 TIP3 OH2 OT -0.834000 15.9994 0 + 7659 WT0 5173 TIP3 H1 HT 0.417000 1.0080 0 + 7660 WT0 5173 TIP3 H2 HT 0.417000 1.0080 0 + 7661 WT0 5176 TIP3 OH2 OT -0.834000 15.9994 0 + 7662 WT0 5176 TIP3 H1 HT 0.417000 1.0080 0 + 7663 WT0 5176 TIP3 H2 HT 0.417000 1.0080 0 + 7664 WT0 5181 TIP3 OH2 OT -0.834000 15.9994 0 + 7665 WT0 5181 TIP3 H1 HT 0.417000 1.0080 0 + 7666 WT0 5181 TIP3 H2 HT 0.417000 1.0080 0 + 7667 WT0 5182 TIP3 OH2 OT -0.834000 15.9994 0 + 7668 WT0 5182 TIP3 H1 HT 0.417000 1.0080 0 + 7669 WT0 5182 TIP3 H2 HT 0.417000 1.0080 0 + 7670 WT0 5190 TIP3 OH2 OT -0.834000 15.9994 0 + 7671 WT0 5190 TIP3 H1 HT 0.417000 1.0080 0 + 7672 WT0 5190 TIP3 H2 HT 0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 + 8497 WT0 5891 TIP3 H2 HT 0.417000 1.0080 0 + 8498 WT0 5894 TIP3 OH2 OT -0.834000 15.9994 0 + 8499 WT0 5894 TIP3 H1 HT 0.417000 1.0080 0 + 8500 WT0 5894 TIP3 H2 HT 0.417000 1.0080 0 + 8501 WT0 5895 TIP3 OH2 OT -0.834000 15.9994 0 + 8502 WT0 5895 TIP3 H1 HT 0.417000 1.0080 0 + 8503 WT0 5895 TIP3 H2 HT 0.417000 1.0080 0 + 8504 WT0 5897 TIP3 OH2 OT -0.834000 15.9994 0 + 8505 WT0 5897 TIP3 H1 HT 0.417000 1.0080 0 + 8506 WT0 5897 TIP3 H2 HT 0.417000 1.0080 0 + 8507 WT0 5899 TIP3 OH2 OT -0.834000 15.9994 0 + 8508 WT0 5899 TIP3 H1 HT 0.417000 1.0080 0 + 8509 WT0 5899 TIP3 H2 HT 0.417000 1.0080 0 + 8510 WT0 5901 TIP3 OH2 OT -0.834000 15.9994 0 + 8511 WT0 5901 TIP3 H1 HT 0.417000 1.0080 0 + 8512 WT0 5901 TIP3 H2 HT 0.417000 1.0080 0 + 8513 WT0 5903 TIP3 OH2 OT -0.834000 15.9994 0 + 8514 WT0 5903 TIP3 H1 HT 0.417000 1.0080 0 + 8515 WT0 5903 TIP3 H2 HT 0.417000 1.0080 0 + 8516 WT0 5904 TIP3 OH2 OT -0.834000 15.9994 0 + 8517 WT0 5904 TIP3 H1 HT 0.417000 1.0080 0 + 8518 WT0 5904 TIP3 H2 HT 0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT 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5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT -0.834000 15.9994 0 + 8736 WT0 6057 TIP3 H1 HT 0.417000 1.0080 0 + 8737 WT0 6057 TIP3 H2 HT 0.417000 1.0080 0 + 8738 WT0 6060 TIP3 OH2 OT -0.834000 15.9994 0 + 8739 WT0 6060 TIP3 H1 HT 0.417000 1.0080 0 + 8740 WT0 6060 TIP3 H2 HT 0.417000 1.0080 0 + 8741 WT0 6061 TIP3 OH2 OT -0.834000 15.9994 0 + 8742 WT0 6061 TIP3 H1 HT 0.417000 1.0080 0 + 8743 WT0 6061 TIP3 H2 HT 0.417000 1.0080 0 + 8744 WT0 6068 TIP3 OH2 OT -0.834000 15.9994 0 + 8745 WT0 6068 TIP3 H1 HT 0.417000 1.0080 0 + 8746 WT0 6068 TIP3 H2 HT 0.417000 1.0080 0 + 8747 WT0 6080 TIP3 OH2 OT -0.834000 15.9994 0 + 8748 WT0 6080 TIP3 H1 HT 0.417000 1.0080 0 + 8749 WT0 6080 TIP3 H2 HT 0.417000 1.0080 0 + 8750 WT0 6082 TIP3 OH2 OT -0.834000 15.9994 0 + 8751 WT0 6082 TIP3 H1 HT 0.417000 1.0080 0 + 8752 WT0 6082 TIP3 H2 HT 0.417000 1.0080 0 + 8753 WT0 6090 TIP3 OH2 OT -0.834000 15.9994 0 + 8754 WT0 6090 TIP3 H1 HT 0.417000 1.0080 0 + 8755 WT0 6090 TIP3 H2 HT 0.417000 1.0080 0 + 8756 WT0 6091 TIP3 OH2 OT -0.834000 15.9994 0 + 8757 WT0 6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 + 8779 WT0 6124 TIP3 H2 HT 0.417000 1.0080 0 + 8780 WT0 6129 TIP3 OH2 OT -0.834000 15.9994 0 + 8781 WT0 6129 TIP3 H1 HT 0.417000 1.0080 0 + 8782 WT0 6129 TIP3 H2 HT 0.417000 1.0080 0 + 8783 WT0 6136 TIP3 OH2 OT -0.834000 15.9994 0 + 8784 WT0 6136 TIP3 H1 HT 0.417000 1.0080 0 + 8785 WT0 6136 TIP3 H2 HT 0.417000 1.0080 0 + 8786 WT0 6138 TIP3 OH2 OT -0.834000 15.9994 0 + 8787 WT0 6138 TIP3 H1 HT 0.417000 1.0080 0 + 8788 WT0 6138 TIP3 H2 HT 0.417000 1.0080 0 + 8789 WT0 6139 TIP3 OH2 OT -0.834000 15.9994 0 + 8790 WT0 6139 TIP3 H1 HT 0.417000 1.0080 0 + 8791 WT0 6139 TIP3 H2 HT 0.417000 1.0080 0 + 8792 WT0 6146 TIP3 OH2 OT -0.834000 15.9994 0 + 8793 WT0 6146 TIP3 H1 HT 0.417000 1.0080 0 + 8794 WT0 6146 TIP3 H2 HT 0.417000 1.0080 0 + 8795 WT0 6157 TIP3 OH2 OT -0.834000 15.9994 0 + 8796 WT0 6157 TIP3 H1 HT 0.417000 1.0080 0 + 8797 WT0 6157 TIP3 H2 HT 0.417000 1.0080 0 + 8798 WT0 6158 TIP3 OH2 OT -0.834000 15.9994 0 + 8799 WT0 6158 TIP3 H1 HT 0.417000 1.0080 0 + 8800 WT0 6158 TIP3 H2 HT 0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT 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6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 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8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 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6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 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TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 + 9082 WT0 6348 TIP3 H2 HT 0.417000 1.0080 0 + 9083 WT0 6351 TIP3 OH2 OT -0.834000 15.9994 0 + 9084 WT0 6351 TIP3 H1 HT 0.417000 1.0080 0 + 9085 WT0 6351 TIP3 H2 HT 0.417000 1.0080 0 + 9086 WT0 6355 TIP3 OH2 OT -0.834000 15.9994 0 + 9087 WT0 6355 TIP3 H1 HT 0.417000 1.0080 0 + 9088 WT0 6355 TIP3 H2 HT 0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT 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6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 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9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 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6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT -0.834000 15.9994 0 + 9300 WT0 6545 TIP3 H1 HT 0.417000 1.0080 0 + 9301 WT0 6545 TIP3 H2 HT 0.417000 1.0080 0 + 9302 WT0 6547 TIP3 OH2 OT -0.834000 15.9994 0 + 9303 WT0 6547 TIP3 H1 HT 0.417000 1.0080 0 + 9304 WT0 6547 TIP3 H2 HT 0.417000 1.0080 0 + 9305 WT0 6551 TIP3 OH2 OT -0.834000 15.9994 0 + 9306 WT0 6551 TIP3 H1 HT 0.417000 1.0080 0 + 9307 WT0 6551 TIP3 H2 HT 0.417000 1.0080 0 + 9308 WT0 6554 TIP3 OH2 OT -0.834000 15.9994 0 + 9309 WT0 6554 TIP3 H1 HT 0.417000 1.0080 0 + 9310 WT0 6554 TIP3 H2 HT 0.417000 1.0080 0 + 9311 WT0 6555 TIP3 OH2 OT -0.834000 15.9994 0 + 9312 WT0 6555 TIP3 H1 HT 0.417000 1.0080 0 + 9313 WT0 6555 TIP3 H2 HT 0.417000 1.0080 0 + 9314 WT0 6560 TIP3 OH2 OT -0.834000 15.9994 0 + 9315 WT0 6560 TIP3 H1 HT 0.417000 1.0080 0 + 9316 WT0 6560 TIP3 H2 HT 0.417000 1.0080 0 + 9317 WT0 6561 TIP3 OH2 OT -0.834000 15.9994 0 + 9318 WT0 6561 TIP3 H1 HT 0.417000 1.0080 0 + 9319 WT0 6561 TIP3 H2 HT 0.417000 1.0080 0 + 9320 WT0 6564 TIP3 OH2 OT -0.834000 15.9994 0 + 9321 WT0 6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 + 9343 WT0 6602 TIP3 H2 HT 0.417000 1.0080 0 + 9344 WT0 6604 TIP3 OH2 OT -0.834000 15.9994 0 + 9345 WT0 6604 TIP3 H1 HT 0.417000 1.0080 0 + 9346 WT0 6604 TIP3 H2 HT 0.417000 1.0080 0 + 9347 WT0 6614 TIP3 OH2 OT -0.834000 15.9994 0 + 9348 WT0 6614 TIP3 H1 HT 0.417000 1.0080 0 + 9349 WT0 6614 TIP3 H2 HT 0.417000 1.0080 0 + 9350 WT0 6615 TIP3 OH2 OT -0.834000 15.9994 0 + 9351 WT0 6615 TIP3 H1 HT 0.417000 1.0080 0 + 9352 WT0 6615 TIP3 H2 HT 0.417000 1.0080 0 + 9353 WT0 6616 TIP3 OH2 OT -0.834000 15.9994 0 + 9354 WT0 6616 TIP3 H1 HT 0.417000 1.0080 0 + 9355 WT0 6616 TIP3 H2 HT 0.417000 1.0080 0 + 9356 WT0 6618 TIP3 OH2 OT -0.834000 15.9994 0 + 9357 WT0 6618 TIP3 H1 HT 0.417000 1.0080 0 + 9358 WT0 6618 TIP3 H2 HT 0.417000 1.0080 0 + 9359 WT0 6623 TIP3 OH2 OT -0.834000 15.9994 0 + 9360 WT0 6623 TIP3 H1 HT 0.417000 1.0080 0 + 9361 WT0 6623 TIP3 H2 HT 0.417000 1.0080 0 + 9362 WT0 6628 TIP3 OH2 OT -0.834000 15.9994 0 + 9363 WT0 6628 TIP3 H1 HT 0.417000 1.0080 0 + 9364 WT0 6628 TIP3 H2 HT 0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT 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6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 1.0080 0 + 11105 WT0 8940 TIP3 OH2 OT -0.834000 15.9994 0 + 11106 WT0 8940 TIP3 H1 HT 0.417000 1.0080 0 + 11107 WT0 8940 TIP3 H2 HT 0.417000 1.0080 0 + 11108 WT0 8949 TIP3 OH2 OT -0.834000 15.9994 0 + 11109 WT0 8949 TIP3 H1 HT 0.417000 1.0080 0 + 11110 WT0 8949 TIP3 H2 HT 0.417000 1.0080 0 + 11111 WT0 8950 TIP3 OH2 OT -0.834000 15.9994 0 + 11112 WT0 8950 TIP3 H1 HT 0.417000 1.0080 0 + 11113 WT0 8950 TIP3 H2 HT 0.417000 1.0080 0 + 11114 WT0 8952 TIP3 OH2 OT -0.834000 15.9994 0 + 11115 WT0 8952 TIP3 H1 HT 0.417000 1.0080 0 + 11116 WT0 8952 TIP3 H2 HT 0.417000 1.0080 0 + 11117 WT0 8954 TIP3 OH2 OT -0.834000 15.9994 0 + 11118 WT0 8954 TIP3 H1 HT 0.417000 1.0080 0 + 11119 WT0 8954 TIP3 H2 HT 0.417000 1.0080 0 + 11120 WT0 8956 TIP3 OH2 OT -0.834000 15.9994 0 + 11121 WT0 8956 TIP3 H1 HT 0.417000 1.0080 0 + 11122 WT0 8956 TIP3 H2 HT 0.417000 1.0080 0 + 11123 WT0 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0 0 0 0 + + 1 0 !NGRP + 0 0 0 + + 5 !NCRTERM: cross-terms + 190 192 194 197 192 194 197 199 + 214 216 218 221 216 218 221 223 + 265 267 269 272 267 269 272 274 + 380 382 384 387 382 384 387 389 + 544 546 548 551 546 548 551 553 + diff --git a/adaptivemd/input/e2s1_e1s1p0f4/input b/adaptivemd/input/e2s1_e1s1p0f4/input new file mode 100644 index 0000000..3a90054 --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/input @@ -0,0 +1,18 @@ +bincoordinates input.coor +coordinates structure.pdb +cutoff 9 +extendedsystem input.xsc +thermostat on +thermostatdamping 0.1 +thermostattemp 350 +parameters parameters +pme on +restart on +structure structure.psf +switchdist 7.5 +switching on +temperature 350 +timestep 4 +trajectoryfile output.xtc +trajectoryperiod 25000 +run 250000 diff --git a/adaptivemd/input/e2s1_e1s1p0f4/input.coor b/adaptivemd/input/e2s1_e1s1p0f4/input.coor new file mode 100644 index 0000000..6e7a486 Binary files /dev/null and b/adaptivemd/input/e2s1_e1s1p0f4/input.coor differ diff --git a/adaptivemd/input/e2s1_e1s1p0f4/input.xsc b/adaptivemd/input/e2s1_e1s1p0f4/input.xsc new file mode 100644 index 0000000..1f63b10 --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/input.xsc @@ -0,0 +1,3 @@ +# NAMD extended system configuration restart file generated by MoleculeKit +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z +125000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 \ No newline at end of file diff --git a/adaptivemd/input/e2s1_e1s1p0f4/job.sh b/adaptivemd/input/e2s1_e1s1p0f4/job.sh new file mode 100755 index 0000000..837fb51 --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/job.sh @@ -0,0 +1,10 @@ +#!/bin/bash + + +trap "touch /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e2s1_e1s1p0f4/jobqueues.done" EXIT SIGTERM + +export CUDA_VISIBLE_DEVICES=0 + +cd /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e2s1_e1s1p0f4 +/home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e2s1_e1s1p0f4/run.sh +mv *.xtc /home/sdoerr/Work/htmd/tutorials/adaptivemd/data/e2s1_e1s1p0f4 \ No newline at end of file diff --git a/adaptivemd/input/e2s1_e1s1p0f4/jobqueues.done b/adaptivemd/input/e2s1_e1s1p0f4/jobqueues.done new file mode 100644 index 0000000..e69de29 diff --git a/adaptivemd/input/e2s1_e1s1p0f4/log.txt b/adaptivemd/input/e2s1_e1s1p0f4/log.txt new file mode 100644 index 0000000..80d910c --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/log.txt @@ -0,0 +1,230 @@ +WARNING: "acemd3" is depricated and will be removed in a future release! Use "acemd" instead +# +# ACEMD version 3.7.2 +# +# Copyright (C) 2017-2023 Acellera (www.acellera.com) +# +# By using ACEMD, you accept the terms and conditions of the ACEMD licence +# Check the licence by running "acemd --licence" +# More details: https://software.acellera.com/acemd/licence.html +# +# When publishing, please cite: +# ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale +# M. J. Harvey, G. Giupponi and G. De Fabritiis, +# J Chem. Theory. Comput. 2009 5(6), pp1632-1639 +# DOI: 10.1021/ct9000685 +# +# Arguments: +# input: input +# platform: +# device: +# ncpus: +# precision: mixed +# +# Licence: +# Product: ACEMD 3.0 +# Check floating licence: +# ACELLERA_LICENCE_SERVER -- not defined +# ACELLERA_LICENSE_SERVER -- not defined +# Check node-locked licence: +# ACELLERA_LICENCE_FILE -- not defined +# ACELLERA_LICENSE_FILE -- not defined +# /opt/acellera/licence.dat -- DENIED (Unable to locate target file) +# /opt/acellera/license.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/licence.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/license.dat -- DENIED (Unable to locate target file) +# +# WARNING: This ACEMD version expires in 27 days! +# +# Initialize Python +# Version: 3.10.13 +# Internal modules: /home/sdoerr/miniforge3/envs/htmd/lib/acemd/python +# +# Parse input +# File name: input +# Format: old +# WARNING: Deprecated keyword "thermostattemp" is replaced with "thermostattemperature" +# WARNING: Deprecated keyword "switchdist" is replaced with "switchdistance" +# +# Parse force field and topology files +# Force field: CHARMM +# PRM file: parameters +# PSF file: structure.psf +# WARNING: No NBFIX parameters exist for atom type ocl! +# WARNING: No NBFIX parameters exist for atom type obl! +# WARNING: No NBFIX parameters exist for atom type o2l! +# WARNING: No NBFIX parameters exist for atom type oc2d2! +# WARNING: No NBFIX parameters exist for atom type oc2dp! +# WARNING: No NBFIX parameters exist for atom type og2d2! +# WARNING: No NBFIX parameters exist for atom type og2p1! +# +# Force field parameters +# Number of atom parameters: 107 +# Number of bond parameters: 154 +# Number of angle parameters: 378 +# Number of dihedral parameters: 505 +# Number of improper parameters: 49 +# Number of CMAP parameters: 6 +# +# System topology +# Number of atoms: 11340 +# Number of bonds: 7762 +# Number of angles: 4719 +# Number of dihedrals: 1657 +# Number of impropers: 100 +# Number of CMAPs: 5 +# +# Initializing engine +# Version: 7.7 +# Plugin directory: /home/sdoerr/miniforge3/envs/htmd/lib/acemd +# Loaded plugins +# CPU +# PME +# CUDA +# CudaCompiler +# OpenCL +# PlumedCUDA +# PlumedOpenCL +# PlumedReference +# Available platforms +# CPU +# CUDA +# OpenCL +# +# Bonded interactions +# Harmonic bond interactions +# Number of terms: 7762 +# Harmonic angle interactions +# Number of terms: 4719 +# Urey-Bradley interactions +# Number of terms: 593 +# Number of skipped terms (zero force constant): 4126 +# Proper dihedral interations +# Number of terms: 1760 +# Number of skipped terms (zero force constants): 366 +# Improper dihedral interations +# Number of terms: 100 +# CMAP interactions +# Number of terms: 5 +# +# Non-bonded interactions +# Number of exclusions: 14126 +# Lennard-Jones terms +# Cutoff distance: 9.000 A +# Switching distance: 7.500 A +# Coulombic (PME) term +# Ewald tolerance: 0.000500 +# Using NBFIX +# No implicit solvent +# +# Constraining hydrogen (X-H) bonds +# Number of constrained bonds: 7454 +# Making water molecules rigid +# Number of water molecules: 3564 +# Number of constraints: 11018 +# +# Repartitioning hydrogen atom mass +# New hydrogen mass: 4.032 au +# Number of hydrogen atoms: 7454 +# +# Reading box sizes from input.xsc +# +# Creating simulation system +# Number of particles: 11340 +# Number of degrees of freedom 22999 +# Periodic box size: 50.489 50.491 50.416 A +# +# Integrator +# Type: velocity Verlet +# Step size: 4.00 fs +# Constraint tolerance: 1.0e-06 +# +# Thermostat +# Type: Langevin +# Target temperature: 350.00 K +# Friction coefficient: 0.10 ps^-1 +# +# Setting up platform: CUDA +# Interactions: 1 2 3 4 5 6 7 7 12 +# Platform properties: +# DeviceIndex: 0 +# DeviceName: NVIDIA GeForce RTX 4050 Laptop GPU +# UseBlockingSync: false +# Precision: mixed +# UseCpuPme: false +# CudaCompiler: /usr/local/cuda/bin/nvcc +# TempDirectory: /tmp +# CudaHostCompiler: +# DisablePmeStream: false +# DeterministicForces: false +# +# Set initial positions from an input file +# +# Simulation restart +# Restat file: restart.chk +# WARNING: the restart file does not exist! +# WARNING: Unable to restart! Continuing with the initial positions, velocities, simulation box size +# +# Initial velocities +# Distribution: Maxwell-Boltzmann +# Temperature: 350.00 K +# +# Optimize platform for MD +# Number of constraints: 11018 +# Harmonic bond interations +# Initial number of terms: 7762 +# Optimized number of terms: 308 +# Remaining interactions: 2 3 4 5 6 7 7 12 1 +# +# Running simulation +# Current step: 0 +# Number of steps: 250000 +# +# Trajectory output +# Positions: output.xtc +# Period: 25000 +# Wrapping: off +# +# Log, trajectory, and restart files are written every 100.000 ps (25000 steps) +# Step Time Bond Angle Urey-Bradley Dihedral Improper CMAP Non-bonded Implicit External Potential Kinetic Total Temperature Volume +# [ps] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [K] [A^3] + 25000 100.00 126.8384 339.9665 47.3709 54.7410 25.5820 -23.4379 -34338.0860 0.0000 0.0000 -33767.0251 7966.4243 -25800.6008 348.614 128522.41 +# Speed: average 639.19 ns/day, current 639.19 ns/day +# Progress: 10.0, remaining time: 0:02:01, ETA: Tue Jun 11 16:42:03 2024 + 50000 200.00 150.1578 343.3448 42.3296 63.9831 22.0181 -20.8503 -34458.6630 0.0000 0.0000 -33857.6799 7960.5688 -25897.1111 348.358 128522.41 +# Speed: average 638.83 ns/day, current 638.48 ns/day +# Progress: 20.0, remaining time: 0:01:48, ETA: Tue Jun 11 16:42:03 2024 + 75000 300.00 142.5451 364.5368 52.3761 69.0681 29.8967 -20.1134 -34258.8878 0.0000 0.0000 -33620.5783 8100.6302 -25519.9481 354.487 128522.41 +# Speed: average 638.31 ns/day, current 637.26 ns/day +# Progress: 30.0, remaining time: 0:01:34, ETA: Tue Jun 11 16:42:03 2024 + 100000 400.00 143.3734 335.8165 47.5981 80.4188 25.4722 -21.0451 -34289.5485 0.0000 0.0000 -33677.9147 7988.5755 -25689.3392 349.583 128522.41 +# Speed: average 638.01 ns/day, current 637.12 ns/day +# Progress: 40.0, remaining time: 0:01:21, ETA: Tue Jun 11 16:42:03 2024 + 125000 500.00 122.4864 369.1761 48.9424 56.7959 22.8335 -17.9421 -34205.1056 0.0000 0.0000 -33602.8134 8042.4897 -25560.3237 351.943 128522.41 +# Speed: average 637.33 ns/day, current 634.64 ns/day +# Progress: 50.0, remaining time: 0:01:07, ETA: Tue Jun 11 16:42:04 2024 + 150000 600.00 150.9414 347.8358 44.7427 68.2415 25.4721 -19.9726 -34398.2205 0.0000 0.0000 -33780.9596 8085.5829 -25695.3767 353.828 128522.41 +# Speed: average 636.72 ns/day, current 633.65 ns/day +# Progress: 60.0, remaining time: 0:00:54, ETA: Tue Jun 11 16:42:04 2024 + 175000 700.00 137.0345 318.6668 45.8156 66.7715 26.9627 -20.9654 -34405.1548 0.0000 0.0000 -33830.8692 7969.6528 -25861.2164 348.755 128522.41 +# Speed: average 636.34 ns/day, current 634.05 ns/day +# Progress: 70.0, remaining time: 0:00:40, ETA: Tue Jun 11 16:42:04 2024 + 200000 800.00 156.3470 333.5371 49.3770 65.0304 22.7875 -20.7665 -34378.8794 0.0000 0.0000 -33772.5669 8019.2184 -25753.3485 350.924 128522.41 +# Speed: average 636.27 ns/day, current 635.81 ns/day +# Progress: 80.0, remaining time: 0:00:27, ETA: Tue Jun 11 16:42:04 2024 + 225000 900.00 132.1366 330.4114 42.6340 63.6011 23.6681 -20.6080 -34246.9620 0.0000 0.0000 -33675.1187 7894.6762 -25780.4425 345.474 128522.41 +# Speed: average 636.19 ns/day, current 635.56 ns/day +# Progress: 90.0, remaining time: 0:00:13, ETA: Tue Jun 11 16:42:04 2024 + 250000 1000.00 133.1587 320.2468 48.5098 81.0019 23.9653 -21.5512 -34272.6078 0.0000 0.0000 -33687.2766 7961.8064 -25725.4702 348.412 128522.41 +# Speed: average 636.04 ns/day, current 634.71 ns/day +# Progress: 100.0, remaining time: 0:00:00, ETA: Tue Jun 11 16:42:04 2024 +# Writing final coordinates to "output.coor" +# Writing final velocities to "output.vel" +# Writing final simulation box to "output.xsc" +# +# Simulation completed! +# +# WARNING: ACEMD was simulating with a non-commercial licence! +# For commercial use, a commercial licence is required. +# More details: https://software.acellera.com/acemd +# diff --git a/adaptivemd/input/e2s1_e1s1p0f4/output.coor b/adaptivemd/input/e2s1_e1s1p0f4/output.coor new file mode 100644 index 0000000..96c405c Binary files /dev/null and b/adaptivemd/input/e2s1_e1s1p0f4/output.coor differ diff --git a/adaptivemd/input/e2s1_e1s1p0f4/output.vel b/adaptivemd/input/e2s1_e1s1p0f4/output.vel new file mode 100644 index 0000000..a5a905e Binary files /dev/null and b/adaptivemd/input/e2s1_e1s1p0f4/output.vel differ diff --git a/adaptivemd/input/e2s1_e1s1p0f4/output.xsc b/adaptivemd/input/e2s1_e1s1p0f4/output.xsc new file mode 100644 index 0000000..aff6362 --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/output.xsc @@ -0,0 +1,2 @@ +# XSC File generated by ACEMD +250000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 diff --git a/adaptivemd/input/e2s1_e1s1p0f4/parameters b/adaptivemd/input/e2s1_e1s1p0f4/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/input/e2s1_e1s1p0f4/restart.chk b/adaptivemd/input/e2s1_e1s1p0f4/restart.chk new file mode 100644 index 0000000..eaf8e8a Binary files /dev/null and b/adaptivemd/input/e2s1_e1s1p0f4/restart.chk differ diff --git a/adaptivemd/input/e2s1_e1s1p0f4/restart.chk.bkp b/adaptivemd/input/e2s1_e1s1p0f4/restart.chk.bkp new file mode 100644 index 0000000..d623ed9 Binary files /dev/null and b/adaptivemd/input/e2s1_e1s1p0f4/restart.chk.bkp differ diff --git a/adaptivemd/input/e2s1_e1s1p0f4/run.sh b/adaptivemd/input/e2s1_e1s1p0f4/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/input/e2s1_e1s1p0f4/structure.pdb b/adaptivemd/input/e2s1_e1s1p0f4/structure.pdb new file mode 100644 index 0000000..2b58bb1 --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 20.934 -3.579 -22.871 0.00 0.00 P C +ATOM 2 HY1 MET 1 21.144 -3.509 -23.961 0.00 0.00 P H +ATOM 3 HY2 MET 1 21.914 -3.329 -22.401 0.00 0.00 P H +ATOM 4 HY3 MET 1 20.444 -2.589 -22.751 0.00 0.00 P H +ATOM 5 CY MET 1 20.224 -4.549 -22.191 0.00 0.00 P C +ATOM 6 OY MET 1 20.514 -4.819 -21.051 0.00 0.00 P O +ATOM 7 N MET 1 19.144 -5.189 -22.741 0.00 0.00 P N +ATOM 8 HN MET 1 19.034 -5.109 -23.731 0.00 0.00 P H +ATOM 9 CA MET 1 18.264 -6.069 -22.101 0.00 0.00 P C +ATOM 10 HA MET 1 17.734 -5.469 -21.381 0.00 0.00 P H +ATOM 11 CB MET 1 17.044 -6.279 -23.061 0.00 0.00 P C +ATOM 12 HB1 MET 1 16.134 -6.399 -22.441 0.00 0.00 P H +ATOM 13 HB2 MET 1 16.934 -5.329 -23.631 0.00 0.00 P H +ATOM 14 CG MET 1 17.264 -7.469 -24.081 0.00 0.00 P C +ATOM 15 HG1 MET 1 18.144 -7.269 -24.721 0.00 0.00 P H +ATOM 16 HG2 MET 1 17.514 -8.429 -23.571 0.00 0.00 P H +ATOM 17 SD MET 1 15.784 -7.699 -25.041 0.00 0.00 P S +ATOM 18 CE MET 1 14.644 -8.859 -24.111 0.00 0.00 P C +ATOM 19 HE1 MET 1 14.444 -9.609 -24.911 0.00 0.00 P H +ATOM 20 HE2 MET 1 15.174 -9.459 -23.341 0.00 0.00 P H +ATOM 21 HE3 MET 1 13.714 -8.399 -23.701 0.00 0.00 P H +ATOM 22 C MET 1 18.874 -7.309 -21.501 0.00 0.00 P C +ATOM 23 O MET 1 18.494 -7.699 -20.441 0.00 0.00 P O +ATOM 24 N LYS 2 20.034 -7.889 -21.991 0.00 0.00 P N +ATOM 25 HN LYS 2 20.404 -7.509 -22.831 0.00 0.00 P H +ATOM 26 CA LYS 2 20.924 -8.789 -21.251 0.00 0.00 P C +ATOM 27 HA LYS 2 20.134 -9.499 -21.031 0.00 0.00 P H +ATOM 28 CB LYS 2 21.984 -9.429 -22.211 0.00 0.00 P C +ATOM 29 HB1 LYS 2 21.644 -9.469 -23.271 0.00 0.00 P H +ATOM 30 HB2 LYS 2 22.844 -8.729 -22.321 0.00 0.00 P H +ATOM 31 CG LYS 2 22.574 -10.719 -21.791 0.00 0.00 P C +ATOM 32 HG1 LYS 2 23.174 -11.079 -22.661 0.00 0.00 P H +ATOM 33 HG2 LYS 2 23.314 -10.499 -20.991 0.00 0.00 P H +ATOM 34 CD LYS 2 21.694 -11.839 -21.381 0.00 0.00 P C +ATOM 35 HD1 LYS 2 22.354 -12.449 -20.731 0.00 0.00 P H +ATOM 36 HD2 LYS 2 20.914 -11.519 -20.661 0.00 0.00 P H +ATOM 37 CE LYS 2 21.074 -12.509 -22.601 0.00 0.00 P C +ATOM 38 HE1 LYS 2 20.504 -11.679 -23.081 0.00 0.00 P H +ATOM 39 HE2 LYS 2 21.724 -12.879 -23.411 0.00 0.00 P H +ATOM 40 NZ LYS 2 20.284 -13.689 -22.301 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 20.844 -14.559 -22.171 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 19.604 -13.669 -21.521 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 19.804 -13.949 -23.191 0.00 0.00 P H +ATOM 44 C LYS 2 21.614 -8.249 -19.941 0.00 0.00 P C +ATOM 45 O LYS 2 22.034 -9.059 -19.171 0.00 0.00 P O +ATOM 46 N VAL 3 21.594 -6.939 -19.711 0.00 0.00 P N +ATOM 47 HN VAL 3 21.104 -6.299 -20.301 0.00 0.00 P H +ATOM 48 CA VAL 3 22.524 -6.319 -18.801 0.00 0.00 P C +ATOM 49 HA VAL 3 23.234 -6.999 -18.341 0.00 0.00 P H +ATOM 50 CB VAL 3 23.524 -5.379 -19.631 0.00 0.00 P C +ATOM 51 HB VAL 3 22.974 -4.439 -19.841 0.00 0.00 P H +ATOM 52 CG1 VAL 3 24.824 -4.979 -19.001 0.00 0.00 P C +ATOM 53 HG11 VAL 3 25.444 -5.899 -18.921 0.00 0.00 P H +ATOM 54 HG12 VAL 3 25.304 -4.269 -19.711 0.00 0.00 P H +ATOM 55 HG13 VAL 3 24.764 -4.529 -17.991 0.00 0.00 P H +ATOM 56 CG2 VAL 3 23.814 -5.999 -21.071 0.00 0.00 P C +ATOM 57 HG21 VAL 3 22.924 -5.949 -21.741 0.00 0.00 P H +ATOM 58 HG22 VAL 3 24.654 -5.429 -21.511 0.00 0.00 P H +ATOM 59 HG23 VAL 3 24.334 -6.989 -21.051 0.00 0.00 P H +ATOM 60 C VAL 3 21.694 -5.559 -17.761 0.00 0.00 P C +ATOM 61 O VAL 3 22.124 -4.539 -17.261 0.00 0.00 P O +ATOM 62 N ILE 4 20.494 -6.079 -17.341 0.00 0.00 P N +ATOM 63 HN ILE 4 20.064 -6.919 -17.651 0.00 0.00 P H +ATOM 64 CA ILE 4 19.584 -5.459 -16.371 0.00 0.00 P C +ATOM 65 HA ILE 4 19.114 -4.609 -16.831 0.00 0.00 P H +ATOM 66 CB ILE 4 18.384 -6.349 -15.991 0.00 0.00 P C +ATOM 67 HB ILE 4 18.414 -6.959 -15.061 0.00 0.00 P H +ATOM 68 CG2 ILE 4 17.224 -5.349 -15.661 0.00 0.00 P C +ATOM 69 HG21 ILE 4 17.584 -4.609 -14.901 0.00 0.00 P H +ATOM 70 HG22 ILE 4 17.024 -4.679 -16.521 0.00 0.00 P H +ATOM 71 HG23 ILE 4 16.204 -5.679 -15.351 0.00 0.00 P H +ATOM 72 CG1 ILE 4 17.974 -7.409 -17.111 0.00 0.00 P C +ATOM 73 HG11 ILE 4 17.844 -6.949 -18.121 0.00 0.00 P H +ATOM 74 HG12 ILE 4 18.814 -8.139 -17.131 0.00 0.00 P H +ATOM 75 CD ILE 4 16.574 -8.089 -17.001 0.00 0.00 P C +ATOM 76 HD1 ILE 4 16.414 -8.599 -16.031 0.00 0.00 P H +ATOM 77 HD2 ILE 4 15.804 -7.309 -17.211 0.00 0.00 P H +ATOM 78 HD3 ILE 4 16.504 -8.699 -17.931 0.00 0.00 P H +ATOM 79 C ILE 4 20.114 -5.049 -15.091 0.00 0.00 P C +ATOM 80 O ILE 4 20.784 -5.859 -14.531 0.00 0.00 P O +ATOM 81 N PHE 5 19.904 -3.819 -14.641 0.00 0.00 P N +ATOM 82 HN PHE 5 19.384 -3.069 -15.051 0.00 0.00 P H +ATOM 83 CA PHE 5 20.774 -3.379 -13.481 0.00 0.00 P C +ATOM 84 HA PHE 5 21.744 -3.839 -13.641 0.00 0.00 P H +ATOM 85 CB PHE 5 20.924 -1.779 -13.521 0.00 0.00 P C +ATOM 86 HB1 PHE 5 19.884 -1.409 -13.401 0.00 0.00 P H +ATOM 87 HB2 PHE 5 21.694 -1.519 -12.761 0.00 0.00 P H +ATOM 88 CG PHE 5 21.544 -1.199 -14.811 0.00 0.00 P C +ATOM 89 CD1 PHE 5 22.664 -1.869 -15.301 0.00 0.00 P C +ATOM 90 HD1 PHE 5 23.044 -2.709 -14.741 0.00 0.00 P H +ATOM 91 CE1 PHE 5 22.974 -1.759 -16.671 0.00 0.00 P C +ATOM 92 HE1 PHE 5 23.744 -2.419 -17.051 0.00 0.00 P H +ATOM 93 CZ PHE 5 22.244 -0.929 -17.531 0.00 0.00 P C +ATOM 94 HZ PHE 5 22.374 -0.729 -18.581 0.00 0.00 P H +ATOM 95 CD2 PHE 5 20.874 -0.339 -15.631 0.00 0.00 P C +ATOM 96 HD2 PHE 5 19.854 -0.019 -15.461 0.00 0.00 P H +ATOM 97 CE2 PHE 5 21.174 -0.239 -16.971 0.00 0.00 P C +ATOM 98 HE2 PHE 5 20.564 0.491 -17.491 0.00 0.00 P H +ATOM 99 C PHE 5 20.204 -3.859 -12.141 0.00 0.00 P C +ATOM 100 O PHE 5 20.884 -3.889 -11.141 0.00 0.00 P O +ATOM 101 N LEU 6 18.934 -4.359 -12.081 0.00 0.00 P N +ATOM 102 HN LEU 6 18.334 -4.459 -12.871 0.00 0.00 P H +ATOM 103 CA LEU 6 18.184 -4.959 -10.931 0.00 0.00 P C +ATOM 104 HA LEU 6 18.714 -4.809 -10.001 0.00 0.00 P H +ATOM 105 CB LEU 6 16.784 -4.319 -10.721 0.00 0.00 P C +ATOM 106 HB1 LEU 6 16.074 -4.489 -11.561 0.00 0.00 P H +ATOM 107 HB2 LEU 6 16.354 -4.769 -9.801 0.00 0.00 P H +ATOM 108 CG LEU 6 16.724 -2.749 -10.541 0.00 0.00 P C +ATOM 109 HG LEU 6 17.164 -2.219 -11.411 0.00 0.00 P H +ATOM 110 CD1 LEU 6 15.264 -2.259 -10.461 0.00 0.00 P C +ATOM 111 HD11 LEU 6 14.654 -2.779 -9.691 0.00 0.00 P H +ATOM 112 HD12 LEU 6 14.934 -1.209 -10.451 0.00 0.00 P H +ATOM 113 HD13 LEU 6 14.784 -2.519 -11.421 0.00 0.00 P H +ATOM 114 CD2 LEU 6 17.694 -2.319 -9.291 0.00 0.00 P C +ATOM 115 HD21 LEU 6 18.744 -2.599 -9.491 0.00 0.00 P H +ATOM 116 HD22 LEU 6 17.534 -1.229 -9.181 0.00 0.00 P H +ATOM 117 HD23 LEU 6 17.414 -2.919 -8.391 0.00 0.00 P H +ATOM 118 C LEU 6 18.114 -6.409 -11.051 0.00 0.00 P C +ATOM 119 O LEU 6 17.914 -6.759 -12.201 0.00 0.00 P O +ATOM 120 N LYS 7 18.344 -7.339 -10.081 0.00 0.00 P N +ATOM 121 HN LYS 7 18.514 -7.149 -9.121 0.00 0.00 P H +ATOM 122 CA LYS 7 18.264 -8.759 -10.431 0.00 0.00 P C +ATOM 123 HA LYS 7 17.384 -8.819 -11.061 0.00 0.00 P H +ATOM 124 CB LYS 7 19.264 -9.289 -11.471 0.00 0.00 P C +ATOM 125 HB1 LYS 7 18.974 -10.349 -11.611 0.00 0.00 P H +ATOM 126 HB2 LYS 7 19.074 -8.799 -12.461 0.00 0.00 P H +ATOM 127 CG LYS 7 20.774 -9.079 -10.961 0.00 0.00 P C +ATOM 128 HG1 LYS 7 20.684 -8.159 -10.351 0.00 0.00 P H +ATOM 129 HG2 LYS 7 21.154 -9.789 -10.191 0.00 0.00 P H +ATOM 130 CD LYS 7 21.764 -8.709 -12.011 0.00 0.00 P C +ATOM 131 HD1 LYS 7 21.344 -8.259 -12.931 0.00 0.00 P H +ATOM 132 HD2 LYS 7 22.564 -8.019 -11.681 0.00 0.00 P H +ATOM 133 CE LYS 7 22.524 -9.929 -12.411 0.00 0.00 P C +ATOM 134 HE1 LYS 7 23.384 -9.749 -13.101 0.00 0.00 P H +ATOM 135 HE2 LYS 7 22.974 -10.419 -11.521 0.00 0.00 P H +ATOM 136 NZ LYS 7 21.674 -10.869 -13.131 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 20.974 -10.559 -13.841 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 22.204 -11.679 -13.531 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 21.174 -11.229 -12.291 0.00 0.00 P H +ATOM 140 C LYS 7 18.144 -9.679 -9.211 0.00 0.00 P C +ATOM 141 O LYS 7 19.084 -9.929 -8.431 0.00 0.00 P O +ATOM 142 N ASP 8 16.914 -10.259 -9.041 0.00 0.00 P N +ATOM 143 HN ASP 8 16.204 -10.099 -9.721 0.00 0.00 P H +ATOM 144 CA ASP 8 16.294 -11.289 -8.111 0.00 0.00 P C +ATOM 145 HA ASP 8 15.384 -11.479 -8.641 0.00 0.00 P H +ATOM 146 CB ASP 8 17.124 -12.519 -7.901 0.00 0.00 P C +ATOM 147 HB1 ASP 8 18.104 -12.189 -7.501 0.00 0.00 P H +ATOM 148 HB2 ASP 8 16.724 -13.189 -7.121 0.00 0.00 P H +ATOM 149 CG ASP 8 17.204 -13.289 -9.201 0.00 0.00 P C +ATOM 150 OD1 ASP 8 16.144 -13.719 -9.721 0.00 0.00 P O +ATOM 151 OD2 ASP 8 18.304 -13.469 -9.721 0.00 0.00 P O +ATOM 152 C ASP 8 15.994 -10.579 -6.801 0.00 0.00 P C +ATOM 153 O ASP 8 16.884 -9.939 -6.101 0.00 0.00 P O +ATOM 154 N VAL 9 14.734 -10.669 -6.351 0.00 0.00 P N +ATOM 155 HN VAL 9 14.104 -10.979 -7.051 0.00 0.00 P H +ATOM 156 CA VAL 9 14.084 -10.129 -5.321 0.00 0.00 P C +ATOM 157 HA VAL 9 14.604 -9.259 -4.931 0.00 0.00 P H +ATOM 158 CB VAL 9 12.604 -9.859 -5.671 0.00 0.00 P C +ATOM 159 HB VAL 9 12.104 -10.629 -6.291 0.00 0.00 P H +ATOM 160 CG1 VAL 9 11.704 -9.629 -4.491 0.00 0.00 P C +ATOM 161 HG11 VAL 9 12.054 -8.819 -3.811 0.00 0.00 P H +ATOM 162 HG12 VAL 9 10.664 -9.399 -4.801 0.00 0.00 P H +ATOM 163 HG13 VAL 9 11.514 -10.519 -3.851 0.00 0.00 P H +ATOM 164 CG2 VAL 9 12.324 -8.569 -6.581 0.00 0.00 P C +ATOM 165 HG21 VAL 9 12.754 -7.579 -6.321 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.744 -8.909 -7.551 0.00 0.00 P H +ATOM 167 HG23 VAL 9 11.244 -8.339 -6.711 0.00 0.00 P H +ATOM 168 C VAL 9 14.074 -11.059 -4.211 0.00 0.00 P C +ATOM 169 O VAL 9 13.434 -12.139 -4.281 0.00 0.00 P O +ATOM 170 N LYS 10 14.734 -10.649 -3.121 0.00 0.00 P N +ATOM 171 HN LYS 10 15.274 -9.819 -3.111 0.00 0.00 P H +ATOM 172 CA LYS 10 14.894 -11.499 -1.981 0.00 0.00 P C +ATOM 173 HA LYS 10 14.054 -12.169 -1.811 0.00 0.00 P H +ATOM 174 CB LYS 10 16.134 -12.379 -2.201 0.00 0.00 P C +ATOM 175 HB1 LYS 10 16.114 -13.409 -1.791 0.00 0.00 P H +ATOM 176 HB2 LYS 10 16.114 -12.619 -3.291 0.00 0.00 P H +ATOM 177 CG LYS 10 17.604 -11.799 -1.901 0.00 0.00 P C +ATOM 178 HG1 LYS 10 17.674 -10.859 -2.491 0.00 0.00 P H +ATOM 179 HG2 LYS 10 17.414 -11.599 -0.831 0.00 0.00 P H +ATOM 180 CD LYS 10 18.714 -12.809 -2.331 0.00 0.00 P C +ATOM 181 HD1 LYS 10 18.454 -13.689 -1.701 0.00 0.00 P H +ATOM 182 HD2 LYS 10 18.574 -13.059 -3.401 0.00 0.00 P H +ATOM 183 CE LYS 10 20.064 -12.299 -1.961 0.00 0.00 P C +ATOM 184 HE1 LYS 10 20.244 -11.269 -2.351 0.00 0.00 P H +ATOM 185 HE2 LYS 10 20.434 -12.249 -0.921 0.00 0.00 P H +ATOM 186 NZ LYS 10 21.054 -13.269 -2.551 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 21.884 -12.719 -2.861 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 21.304 -13.989 -1.851 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 20.734 -13.809 -3.381 0.00 0.00 P H +ATOM 190 C LYS 10 15.034 -10.789 -0.671 0.00 0.00 P C +ATOM 191 O LYS 10 15.454 -9.599 -0.601 0.00 0.00 P O +ATOM 192 N GLY 11 14.694 -11.429 0.369 0.00 0.00 P N +ATOM 193 HN GLY 11 14.524 -12.349 0.029 0.00 0.00 P H +ATOM 194 CA GLY 11 14.524 -11.039 1.729 0.00 0.00 P C +ATOM 195 HA1 GLY 11 14.774 -11.939 2.269 0.00 0.00 P H +ATOM 196 HA2 GLY 11 15.284 -10.289 1.909 0.00 0.00 P H +ATOM 197 C GLY 11 13.194 -10.549 2.129 0.00 0.00 P C +ATOM 198 O GLY 11 12.604 -9.539 1.559 0.00 0.00 P O +ATOM 199 N MET 12 12.694 -10.939 3.269 0.00 0.00 P N +ATOM 200 HN MET 12 13.104 -11.829 3.459 0.00 0.00 P H +ATOM 201 CA MET 12 11.384 -10.619 3.699 0.00 0.00 P C +ATOM 202 HA MET 12 10.714 -10.399 2.879 0.00 0.00 P H +ATOM 203 CB MET 12 10.614 -11.679 4.489 0.00 0.00 P C +ATOM 204 HB1 MET 12 10.514 -12.569 3.829 0.00 0.00 P H +ATOM 205 HB2 MET 12 11.144 -12.079 5.379 0.00 0.00 P H +ATOM 206 CG MET 12 9.104 -11.469 4.939 0.00 0.00 P C +ATOM 207 HG1 MET 12 8.934 -12.429 5.459 0.00 0.00 P H +ATOM 208 HG2 MET 12 9.064 -10.709 5.749 0.00 0.00 P H +ATOM 209 SD MET 12 7.874 -11.019 3.679 0.00 0.00 P S +ATOM 210 CE MET 12 6.514 -10.339 4.719 0.00 0.00 P C +ATOM 211 HE1 MET 12 5.564 -10.259 4.159 0.00 0.00 P H +ATOM 212 HE2 MET 12 6.574 -11.039 5.579 0.00 0.00 P H +ATOM 213 HE3 MET 12 6.694 -9.279 4.979 0.00 0.00 P H +ATOM 214 C MET 12 11.384 -9.259 4.449 0.00 0.00 P C +ATOM 215 O MET 12 12.024 -9.199 5.489 0.00 0.00 P O +ATOM 216 N GLY 13 10.764 -8.289 3.949 0.00 0.00 P N +ATOM 217 HN GLY 13 10.444 -8.149 3.019 0.00 0.00 P H +ATOM 218 CA GLY 13 10.404 -7.049 4.819 0.00 0.00 P C +ATOM 219 HA1 GLY 13 11.274 -7.019 5.459 0.00 0.00 P H +ATOM 220 HA2 GLY 13 10.524 -6.219 4.139 0.00 0.00 P H +ATOM 221 C GLY 13 9.264 -6.909 5.559 0.00 0.00 P C +ATOM 222 O GLY 13 8.614 -7.839 6.109 0.00 0.00 P O +ATOM 223 N LYS 14 8.844 -5.609 5.749 0.00 0.00 P N +ATOM 224 HN LYS 14 9.474 -4.899 5.439 0.00 0.00 P H +ATOM 225 CA LYS 14 7.574 -5.409 6.409 0.00 0.00 P C +ATOM 226 HA LYS 14 6.984 -6.309 6.469 0.00 0.00 P H +ATOM 227 CB LYS 14 7.394 -4.589 7.759 0.00 0.00 P C +ATOM 228 HB1 LYS 14 7.874 -3.629 7.489 0.00 0.00 P H +ATOM 229 HB2 LYS 14 6.394 -4.469 8.239 0.00 0.00 P H +ATOM 230 CG LYS 14 8.194 -5.019 9.049 0.00 0.00 P C +ATOM 231 HG1 LYS 14 7.964 -6.099 9.209 0.00 0.00 P H +ATOM 232 HG2 LYS 14 9.304 -4.969 9.009 0.00 0.00 P H +ATOM 233 CD LYS 14 7.694 -4.379 10.309 0.00 0.00 P C +ATOM 234 HD1 LYS 14 8.474 -4.249 11.089 0.00 0.00 P H +ATOM 235 HD2 LYS 14 7.514 -3.299 10.139 0.00 0.00 P H +ATOM 236 CE LYS 14 6.344 -5.059 10.739 0.00 0.00 P C +ATOM 237 HE1 LYS 14 5.474 -4.859 10.079 0.00 0.00 P H +ATOM 238 HE2 LYS 14 6.624 -6.129 10.799 0.00 0.00 P H +ATOM 239 NZ LYS 14 5.924 -4.849 12.189 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 6.034 -3.859 12.509 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 4.924 -5.149 12.229 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 6.664 -5.349 12.719 0.00 0.00 P H +ATOM 243 C LYS 14 6.624 -4.739 5.369 0.00 0.00 P C +ATOM 244 O LYS 14 5.734 -3.909 5.799 0.00 0.00 P O +ATOM 245 N LYS 15 6.794 -4.969 4.079 0.00 0.00 P N +ATOM 246 HN LYS 15 7.384 -5.719 3.799 0.00 0.00 P H +ATOM 247 CA LYS 15 6.034 -4.309 2.989 0.00 0.00 P C +ATOM 248 HA LYS 15 5.544 -3.409 3.349 0.00 0.00 P H +ATOM 249 CB LYS 15 7.054 -3.949 1.889 0.00 0.00 P C +ATOM 250 HB1 LYS 15 7.774 -4.739 1.569 0.00 0.00 P H +ATOM 251 HB2 LYS 15 6.454 -3.419 1.119 0.00 0.00 P H +ATOM 252 CG LYS 15 8.114 -2.809 2.419 0.00 0.00 P C +ATOM 253 HG1 LYS 15 8.804 -3.359 3.099 0.00 0.00 P H +ATOM 254 HG2 LYS 15 8.634 -2.659 1.459 0.00 0.00 P H +ATOM 255 CD LYS 15 7.584 -1.599 3.189 0.00 0.00 P C +ATOM 256 HD1 LYS 15 7.164 -1.889 4.169 0.00 0.00 P H +ATOM 257 HD2 LYS 15 8.484 -1.019 3.479 0.00 0.00 P H +ATOM 258 CE LYS 15 6.734 -0.729 2.239 0.00 0.00 P C +ATOM 259 HE1 LYS 15 7.314 -0.529 1.309 0.00 0.00 P H +ATOM 260 HE2 LYS 15 5.724 -1.179 2.219 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.404 0.521 2.779 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 5.824 0.521 3.649 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.244 1.071 3.019 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.914 1.041 2.029 0.00 0.00 P H +ATOM 265 C LYS 15 4.884 -5.249 2.419 0.00 0.00 P C +ATOM 266 O LYS 15 4.984 -6.459 2.369 0.00 0.00 P O +ATOM 267 N GLY 16 3.844 -4.529 1.959 0.00 0.00 P N +ATOM 268 HN GLY 16 3.674 -3.579 2.179 0.00 0.00 P H +ATOM 269 CA GLY 16 2.574 -5.129 1.489 0.00 0.00 P C +ATOM 270 HA1 GLY 16 1.964 -4.409 0.969 0.00 0.00 P H +ATOM 271 HA2 GLY 16 2.844 -6.039 0.959 0.00 0.00 P H +ATOM 272 C GLY 16 1.844 -5.679 2.579 0.00 0.00 P C +ATOM 273 O GLY 16 1.424 -4.779 3.369 0.00 0.00 P O +ATOM 274 N GLU 17 1.664 -7.039 2.679 0.00 0.00 P N +ATOM 275 HN GLU 17 1.964 -7.619 1.929 0.00 0.00 P H +ATOM 276 CA GLU 17 0.664 -7.589 3.619 0.00 0.00 P C +ATOM 277 HA GLU 17 -0.226 -7.009 3.479 0.00 0.00 P H +ATOM 278 CB GLU 17 0.364 -9.129 3.379 0.00 0.00 P C +ATOM 279 HB1 GLU 17 1.394 -9.519 3.499 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.296 -9.599 4.139 0.00 0.00 P H +ATOM 281 CG GLU 17 -0.236 -9.489 1.899 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -0.626 -8.629 1.329 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.584 -9.859 1.239 0.00 0.00 P H +ATOM 284 CD GLU 17 -1.416 -10.529 1.859 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -2.466 -10.119 2.399 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.326 -11.669 1.279 0.00 0.00 P O +ATOM 287 C GLU 17 1.064 -7.529 5.169 0.00 0.00 P C +ATOM 288 O GLU 17 1.194 -8.509 5.839 0.00 0.00 P O +ATOM 289 N ILE 18 1.174 -6.269 5.769 0.00 0.00 P N +ATOM 290 HN ILE 18 1.034 -5.459 5.209 0.00 0.00 P H +ATOM 291 CA ILE 18 1.414 -6.079 7.169 0.00 0.00 P C +ATOM 292 HA ILE 18 2.424 -6.459 7.279 0.00 0.00 P H +ATOM 293 CB ILE 18 1.404 -4.559 7.579 0.00 0.00 P C +ATOM 294 HB ILE 18 0.384 -4.099 7.569 0.00 0.00 P H +ATOM 295 CG2 ILE 18 1.844 -4.279 9.059 0.00 0.00 P C +ATOM 296 HG21 ILE 18 2.884 -4.619 9.209 0.00 0.00 P H +ATOM 297 HG22 ILE 18 1.774 -3.179 9.249 0.00 0.00 P H +ATOM 298 HG23 ILE 18 1.234 -4.779 9.839 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.454 -3.759 6.729 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.474 -4.169 6.539 0.00 0.00 P H +ATOM 301 HG12 ILE 18 1.834 -3.739 5.809 0.00 0.00 P H +ATOM 302 CD ILE 18 2.604 -2.289 6.999 0.00 0.00 P C +ATOM 303 HD1 ILE 18 3.224 -2.029 7.879 0.00 0.00 P H +ATOM 304 HD2 ILE 18 2.954 -1.759 6.099 0.00 0.00 P H +ATOM 305 HD3 ILE 18 1.624 -1.799 7.219 0.00 0.00 P H +ATOM 306 C ILE 18 0.384 -6.779 8.089 0.00 0.00 P C +ATOM 307 O ILE 18 0.804 -7.489 8.999 0.00 0.00 P O +ATOM 308 N LYS 19 -0.896 -6.509 7.839 0.00 0.00 P N +ATOM 309 HN LYS 19 -1.206 -5.939 7.079 0.00 0.00 P H +ATOM 310 CA LYS 19 -2.026 -7.199 8.629 0.00 0.00 P C +ATOM 311 HA LYS 19 -1.946 -8.249 8.859 0.00 0.00 P H +ATOM 312 CB LYS 19 -2.126 -6.449 9.949 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.896 -6.939 10.579 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -1.166 -6.659 10.469 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.426 -4.999 9.719 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.716 -4.279 10.179 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -2.676 -4.699 8.679 0.00 0.00 P H +ATOM 318 CD LYS 19 -3.766 -4.559 10.449 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -4.516 -5.319 10.129 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -3.556 -4.599 11.539 0.00 0.00 P H +ATOM 321 CE LYS 19 -4.386 -3.099 10.169 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -3.576 -2.469 10.579 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -4.446 -2.929 9.079 0.00 0.00 P H +ATOM 324 NZ LYS 19 -5.486 -2.719 11.019 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -5.416 -3.339 11.849 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -5.666 -1.749 11.339 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -6.386 -2.999 10.579 0.00 0.00 P H +ATOM 328 C LYS 19 -3.326 -7.059 7.789 0.00 0.00 P C +ATOM 329 O LYS 19 -3.476 -6.189 6.849 0.00 0.00 P O +ATOM 330 N ASN 20 -4.316 -7.999 8.059 0.00 0.00 P N +ATOM 331 HN ASN 20 -4.036 -8.769 8.619 0.00 0.00 P H +ATOM 332 CA ASN 20 -5.646 -7.839 7.509 0.00 0.00 P C +ATOM 333 HA ASN 20 -5.786 -7.159 6.679 0.00 0.00 P H +ATOM 334 CB ASN 20 -6.096 -9.209 7.029 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -5.906 -10.049 7.729 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -7.146 -9.119 6.689 0.00 0.00 P H +ATOM 337 CG ASN 20 -5.316 -9.629 5.759 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -4.826 -10.729 5.719 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -5.286 -8.769 4.659 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -5.146 -9.219 3.779 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -5.736 -7.879 4.619 0.00 0.00 P H +ATOM 342 C ASN 20 -6.676 -7.409 8.479 0.00 0.00 P C +ATOM 343 O ASN 20 -7.776 -7.089 8.059 0.00 0.00 P O +ATOM 344 N VAL 21 -6.396 -7.519 9.819 0.00 0.00 P N +ATOM 345 HN VAL 21 -5.456 -7.749 10.079 0.00 0.00 P H +ATOM 346 CA VAL 21 -7.396 -7.179 10.879 0.00 0.00 P C +ATOM 347 HA VAL 21 -8.236 -7.709 10.449 0.00 0.00 P H +ATOM 348 CB VAL 21 -6.826 -7.749 12.239 0.00 0.00 P C +ATOM 349 HB VAL 21 -7.286 -7.259 13.129 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -7.046 -9.329 12.169 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -6.856 -9.759 13.169 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -8.106 -9.449 11.849 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.266 -9.659 11.459 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.396 -7.379 12.359 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -4.756 -8.079 11.779 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -5.166 -6.319 12.149 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.016 -7.439 13.399 0.00 0.00 P H +ATOM 358 C VAL 21 -7.846 -5.759 10.999 0.00 0.00 P C +ATOM 359 O VAL 21 -7.276 -4.869 10.339 0.00 0.00 P O +ATOM 360 N ALA 22 -8.906 -5.519 11.769 0.00 0.00 P N +ATOM 361 HN ALA 22 -9.416 -6.289 12.149 0.00 0.00 P H +ATOM 362 CA ALA 22 -9.436 -4.259 12.089 0.00 0.00 P C +ATOM 363 HA ALA 22 -9.466 -3.719 11.149 0.00 0.00 P H +ATOM 364 CB ALA 22 -10.846 -4.299 12.609 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -11.416 -5.199 12.319 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -10.926 -4.419 13.709 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -11.456 -3.459 12.209 0.00 0.00 P H +ATOM 368 C ALA 22 -8.466 -3.409 12.959 0.00 0.00 P C +ATOM 369 O ALA 22 -7.546 -3.889 13.539 0.00 0.00 P O +ATOM 370 N ASP 23 -8.686 -2.039 13.069 0.00 0.00 P N +ATOM 371 HN ASP 23 -9.316 -1.559 12.459 0.00 0.00 P H +ATOM 372 CA ASP 23 -7.826 -1.369 14.089 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.826 -1.749 14.249 0.00 0.00 P H +ATOM 374 CB ASP 23 -7.666 0.171 13.739 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -8.616 0.651 13.409 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.266 0.821 14.549 0.00 0.00 P H +ATOM 377 CG ASP 23 -6.646 0.421 12.579 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -5.826 -0.519 12.269 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -6.666 1.551 12.069 0.00 0.00 P O +ATOM 380 C ASP 23 -8.396 -1.479 15.489 0.00 0.00 P C +ATOM 381 O ASP 23 -7.666 -1.829 16.409 0.00 0.00 P O +ATOM 382 N GLY 24 -9.696 -1.199 15.609 0.00 0.00 P N +ATOM 383 HN GLY 24 -10.176 -0.789 14.839 0.00 0.00 P H +ATOM 384 CA GLY 24 -10.556 -1.289 16.809 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -10.096 -1.689 17.699 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -10.936 -0.309 17.049 0.00 0.00 P H +ATOM 387 C GLY 24 -11.786 -2.189 16.479 0.00 0.00 P C +ATOM 388 O GLY 24 -11.706 -3.229 15.859 0.00 0.00 P O +ATOM 389 N TYR 25 -12.876 -1.749 16.969 0.00 0.00 P N +ATOM 390 HN TYR 25 -12.906 -0.929 17.539 0.00 0.00 P H +ATOM 391 CA TYR 25 -14.016 -2.539 16.979 0.00 0.00 P C +ATOM 392 HA TYR 25 -13.776 -3.589 16.909 0.00 0.00 P H +ATOM 393 CB TYR 25 -14.736 -2.439 18.329 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -15.006 -1.359 18.359 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -15.656 -3.049 18.499 0.00 0.00 P H +ATOM 396 CG TYR 25 -13.796 -2.569 19.509 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -13.666 -3.879 20.169 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -13.996 -4.849 19.809 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -13.176 -4.079 21.419 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -13.346 -5.029 21.899 0.00 0.00 P H +ATOM 401 CZ TYR 25 -12.656 -2.939 22.049 0.00 0.00 P C +ATOM 402 OH TYR 25 -12.066 -3.249 23.349 0.00 0.00 P O +ATOM 403 HH TYR 25 -11.546 -2.489 23.609 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -13.306 -1.489 20.289 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -13.306 -0.499 19.869 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -12.496 -1.689 21.469 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -12.136 -0.859 22.069 0.00 0.00 P H +ATOM 408 C TYR 25 -14.956 -2.079 15.809 0.00 0.00 P C +ATOM 409 O TYR 25 -16.146 -1.959 15.629 0.00 0.00 P O +ATOM 410 N ALA 26 -14.206 -1.549 14.799 0.00 0.00 P N +ATOM 411 HN ALA 26 -13.216 -1.599 14.759 0.00 0.00 P H +ATOM 412 CA ALA 26 -14.716 -1.239 13.519 0.00 0.00 P C +ATOM 413 HA ALA 26 -15.076 -2.149 13.069 0.00 0.00 P H +ATOM 414 CB ALA 26 -15.756 -0.009 13.379 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -16.656 -0.369 12.839 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -16.016 0.321 14.409 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -15.226 0.871 12.949 0.00 0.00 P H +ATOM 418 C ALA 26 -13.396 -1.109 12.689 0.00 0.00 P C +ATOM 419 O ALA 26 -12.286 -1.219 13.149 0.00 0.00 P O +ATOM 420 N ASN 27 -13.406 -0.999 11.349 0.00 0.00 P N +ATOM 421 HN ASN 27 -14.246 -0.659 10.939 0.00 0.00 P H +ATOM 422 CA ASN 27 -12.176 -1.139 10.519 0.00 0.00 P C +ATOM 423 HA ASN 27 -11.566 -1.899 10.989 0.00 0.00 P H +ATOM 424 CB ASN 27 -12.576 -1.539 9.129 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -11.576 -1.749 8.679 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -13.156 -2.489 9.159 0.00 0.00 P H +ATOM 427 CG ASN 27 -13.416 -0.419 8.339 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -13.626 0.661 8.739 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -13.876 -0.759 7.099 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -13.366 -1.459 6.599 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -14.556 -0.219 6.609 0.00 0.00 P H +ATOM 432 C ASN 27 -11.306 0.251 10.539 0.00 0.00 P C +ATOM 433 O ASN 27 -10.166 0.161 10.149 0.00 0.00 P O +ATOM 434 N ASN 28 -11.866 1.501 10.979 0.00 0.00 P N +ATOM 435 HN ASN 28 -12.736 1.341 11.429 0.00 0.00 P H +ATOM 436 CA ASN 28 -11.186 2.731 11.309 0.00 0.00 P C +ATOM 437 HA ASN 28 -11.926 3.431 11.659 0.00 0.00 P H +ATOM 438 CB ASN 28 -10.136 2.471 12.349 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -10.686 1.871 13.109 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -9.406 1.891 11.739 0.00 0.00 P H +ATOM 441 CG ASN 28 -9.596 3.711 12.909 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -10.136 4.821 12.859 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -8.316 3.651 13.309 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -7.986 4.261 14.029 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -7.686 2.981 12.919 0.00 0.00 P H +ATOM 446 C ASN 28 -10.656 3.481 9.999 0.00 0.00 P C +ATOM 447 O ASN 28 -9.746 4.251 9.969 0.00 0.00 P O +ATOM 448 N PHE 29 -11.386 3.201 8.929 0.00 0.00 P N +ATOM 449 HN PHE 29 -12.256 2.721 9.029 0.00 0.00 P H +ATOM 450 CA PHE 29 -10.966 3.561 7.579 0.00 0.00 P C +ATOM 451 HA PHE 29 -10.036 4.111 7.589 0.00 0.00 P H +ATOM 452 CB PHE 29 -10.966 2.261 6.639 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -10.246 1.591 7.169 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -11.956 1.781 6.479 0.00 0.00 P H +ATOM 455 CG PHE 29 -10.366 2.291 5.289 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -9.376 3.331 5.169 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -9.076 4.091 5.869 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -8.696 3.241 3.929 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -7.826 3.851 3.759 0.00 0.00 P H +ATOM 460 CZ PHE 29 -8.936 2.421 2.859 0.00 0.00 P C +ATOM 461 HZ PHE 29 -8.396 2.751 1.989 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -10.676 1.451 4.249 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -11.366 0.661 4.499 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.026 1.531 2.999 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.176 0.831 2.189 0.00 0.00 P H +ATOM 466 C PHE 29 -12.046 4.521 7.089 0.00 0.00 P C +ATOM 467 O PHE 29 -13.036 4.171 6.419 0.00 0.00 P O +ATOM 468 N LEU 30 -11.886 5.791 7.509 0.00 0.00 P N +ATOM 469 HN LEU 30 -11.196 6.121 8.149 0.00 0.00 P H +ATOM 470 CA LEU 30 -12.656 6.861 6.909 0.00 0.00 P C +ATOM 471 HA LEU 30 -13.186 6.521 6.039 0.00 0.00 P H +ATOM 472 CB LEU 30 -13.686 7.371 7.959 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -13.546 6.791 8.899 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -13.536 8.451 8.189 0.00 0.00 P H +ATOM 475 CG LEU 30 -15.056 7.181 7.549 0.00 0.00 P C +ATOM 476 HG LEU 30 -15.086 6.071 7.499 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -16.056 7.641 8.619 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -15.906 8.741 8.589 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -17.066 7.271 8.339 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -15.766 7.221 9.599 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -15.486 7.771 6.209 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -16.346 7.171 5.859 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -15.816 8.821 6.389 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -14.626 7.671 5.509 0.00 0.00 P H +ATOM 485 C LEU 30 -11.566 7.981 6.469 0.00 0.00 P C +ATOM 486 O LEU 30 -10.416 8.071 6.949 0.00 0.00 P O +ATOM 487 N PHE 31 -12.086 8.881 5.519 0.00 0.00 P N +ATOM 488 HN PHE 31 -13.036 8.841 5.199 0.00 0.00 P H +ATOM 489 CA PHE 31 -11.436 10.081 4.949 0.00 0.00 P C +ATOM 490 HA PHE 31 -10.406 9.821 5.129 0.00 0.00 P H +ATOM 491 CB PHE 31 -11.746 10.201 3.389 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -11.316 11.101 2.889 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -11.436 9.201 3.009 0.00 0.00 P H +ATOM 494 CG PHE 31 -13.216 10.301 3.099 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -13.846 11.531 3.129 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -13.216 12.401 3.049 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -15.126 11.711 2.769 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -15.566 12.691 2.849 0.00 0.00 P H +ATOM 499 CZ PHE 31 -15.906 10.631 2.689 0.00 0.00 P C +ATOM 500 HZ PHE 31 -16.976 10.731 2.689 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -14.116 9.211 2.919 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -13.856 8.171 2.979 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -15.466 9.421 2.939 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -16.116 8.571 2.869 0.00 0.00 P H +ATOM 505 C PHE 31 -11.806 11.391 5.759 0.00 0.00 P C +ATOM 506 O PHE 31 -12.706 11.521 6.499 0.00 0.00 P O +ATOM 507 N LYS 32 -11.076 12.511 5.629 0.00 0.00 P N +ATOM 508 HN LYS 32 -10.316 12.601 4.989 0.00 0.00 P H +ATOM 509 CA LYS 32 -11.416 13.731 6.309 0.00 0.00 P C +ATOM 510 HA LYS 32 -11.946 13.581 7.239 0.00 0.00 P H +ATOM 511 CB LYS 32 -10.206 14.651 6.539 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -9.726 14.871 5.559 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -10.606 15.611 6.929 0.00 0.00 P H +ATOM 514 CG LYS 32 -9.256 14.281 7.659 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -9.896 14.201 8.569 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.776 13.281 7.619 0.00 0.00 P H +ATOM 517 CD LYS 32 -8.146 15.181 7.779 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -7.456 15.041 6.919 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -8.646 16.171 7.689 0.00 0.00 P H +ATOM 520 CE LYS 32 -7.276 15.211 9.069 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -6.976 14.151 9.209 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -6.366 15.851 9.069 0.00 0.00 P H +ATOM 523 NZ LYS 32 -7.926 15.721 10.239 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -8.596 16.431 9.869 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -8.266 14.971 10.859 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -7.246 16.401 10.649 0.00 0.00 P H +ATOM 527 C LYS 32 -12.436 14.481 5.449 0.00 0.00 P C +ATOM 528 O LYS 32 -12.326 14.501 4.219 0.00 0.00 P O +ATOM 529 N GLN 33 -13.336 15.171 6.159 0.00 0.00 P N +ATOM 530 HN GLN 33 -13.506 14.901 7.109 0.00 0.00 P H +ATOM 531 CA GLN 33 -14.386 15.991 5.629 0.00 0.00 P C +ATOM 532 HA GLN 33 -14.636 16.601 6.479 0.00 0.00 P H +ATOM 533 CB GLN 33 -13.826 17.211 4.699 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -12.986 16.791 4.119 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -14.656 17.441 3.999 0.00 0.00 P H +ATOM 536 CG GLN 33 -13.316 18.561 5.459 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -12.736 18.291 6.369 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -12.646 19.041 4.719 0.00 0.00 P H +ATOM 539 CD GLN 33 -14.576 19.481 5.759 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -15.666 19.051 6.149 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -14.406 20.851 5.839 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -14.926 21.581 6.289 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -13.526 21.121 5.429 0.00 0.00 P H +ATOM 544 C GLN 33 -15.636 15.401 5.029 0.00 0.00 P C +ATOM 545 O GLN 33 -15.636 14.221 4.609 0.00 0.00 P O +ATOM 546 N GLY 34 -16.776 16.171 5.229 0.00 0.00 P N +ATOM 547 HN GLY 34 -16.786 17.081 5.609 0.00 0.00 P H +ATOM 548 CA GLY 34 -18.076 15.981 4.679 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -18.326 15.041 5.149 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -18.646 16.861 4.909 0.00 0.00 P H +ATOM 551 C GLY 34 -18.096 15.911 3.149 0.00 0.00 P C +ATOM 552 O GLY 34 -17.076 16.121 2.379 0.00 0.00 P O +ATOM 553 N LEU 35 -19.306 15.911 2.529 0.00 0.00 P N +ATOM 554 HN LEU 35 -20.226 15.781 2.899 0.00 0.00 P H +ATOM 555 CA LEU 35 -19.396 15.831 0.989 0.00 0.00 P C +ATOM 556 HA LEU 35 -18.536 16.421 0.719 0.00 0.00 P H +ATOM 557 CB LEU 35 -19.296 14.371 0.489 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -19.046 14.281 -0.591 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -18.416 13.931 1.009 0.00 0.00 P H +ATOM 560 CG LEU 35 -20.536 13.411 0.699 0.00 0.00 P C +ATOM 561 HG LEU 35 -21.066 13.751 1.609 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -21.556 13.661 -0.531 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -22.546 13.281 -0.211 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -21.736 14.741 -0.721 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -21.266 13.181 -1.491 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -19.996 11.991 0.819 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -19.586 11.781 1.829 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -20.806 11.261 0.589 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -19.176 11.941 0.069 0.00 0.00 P H +ATOM 570 C LEU 35 -20.726 16.611 0.539 0.00 0.00 P C +ATOM 571 O LEU 35 -21.716 16.641 1.129 0.00 0.00 P O +ATOM 572 N ALA 36 -20.496 17.441 -0.491 0.00 0.00 P N +ATOM 573 HN ALA 36 -19.616 17.361 -0.941 0.00 0.00 P H +ATOM 574 CA ALA 36 -21.526 18.451 -1.061 0.00 0.00 P C +ATOM 575 HA ALA 36 -22.536 18.151 -0.801 0.00 0.00 P H +ATOM 576 CB ALA 36 -21.336 19.851 -0.501 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -20.366 20.351 -0.721 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -22.186 20.531 -0.691 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -21.306 19.651 0.599 0.00 0.00 P H +ATOM 580 C ALA 36 -21.316 18.511 -2.601 0.00 0.00 P C +ATOM 581 O ALA 36 -20.256 18.161 -3.151 0.00 0.00 P O +ATOM 582 N ILE 37 -22.226 19.221 -3.391 0.00 0.00 P N +ATOM 583 HN ILE 37 -22.996 19.671 -2.951 0.00 0.00 P H +ATOM 584 CA ILE 37 -22.196 19.111 -4.741 0.00 0.00 P C +ATOM 585 HA ILE 37 -21.816 18.171 -5.101 0.00 0.00 P H +ATOM 586 CB ILE 37 -23.526 19.071 -5.241 0.00 0.00 P C +ATOM 587 HB ILE 37 -24.126 18.231 -4.821 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -24.236 20.361 -4.761 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -25.256 20.281 -5.181 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -24.446 20.251 -3.671 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -23.636 21.251 -5.061 0.00 0.00 P H +ATOM 592 CG1 ILE 37 -23.536 18.731 -6.801 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -22.956 19.491 -7.361 0.00 0.00 P H +ATOM 594 HG12 ILE 37 -22.966 17.781 -6.711 0.00 0.00 P H +ATOM 595 CD ILE 37 -24.866 18.381 -7.511 0.00 0.00 P C +ATOM 596 HD1 ILE 37 -25.506 19.211 -7.141 0.00 0.00 P H +ATOM 597 HD2 ILE 37 -24.706 18.261 -8.601 0.00 0.00 P H +ATOM 598 HD3 ILE 37 -25.216 17.411 -7.091 0.00 0.00 P H +ATOM 599 C ILE 37 -21.256 20.151 -5.321 0.00 0.00 P C +ATOM 600 O ILE 37 -20.966 21.211 -4.671 0.00 0.00 P O +ATOM 601 N GLU 38 -20.716 19.951 -6.581 0.00 0.00 P N +ATOM 602 HN GLU 38 -20.726 19.071 -7.051 0.00 0.00 P H +ATOM 603 CA GLU 38 -19.856 20.991 -7.131 0.00 0.00 P C +ATOM 604 HA GLU 38 -19.166 21.381 -6.391 0.00 0.00 P H +ATOM 605 CB GLU 38 -18.846 20.121 -8.111 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -19.606 19.511 -8.651 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -18.266 20.761 -8.811 0.00 0.00 P H +ATOM 608 CG GLU 38 -17.876 19.291 -7.251 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -17.276 19.931 -6.571 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -18.476 18.501 -6.741 0.00 0.00 P H +ATOM 611 CD GLU 38 -16.916 18.591 -8.091 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -15.726 18.351 -7.681 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -17.256 18.231 -9.301 0.00 0.00 P O +ATOM 614 C GLU 38 -20.636 22.011 -8.111 0.00 0.00 P C +ATOM 615 O GLU 38 -19.906 22.651 -8.841 0.00 0.00 P O +ATOM 616 N ALA 39 -21.926 22.131 -8.061 0.00 0.00 P N +ATOM 617 HN ALA 39 -22.416 21.631 -7.361 0.00 0.00 P H +ATOM 618 CA ALA 39 -22.626 22.891 -9.111 0.00 0.00 P C +ATOM 619 HA ALA 39 -21.976 23.361 -9.831 0.00 0.00 P H +ATOM 620 CB ALA 39 -23.696 21.981 -9.581 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -23.216 21.351 -10.361 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -24.276 21.221 -9.011 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -24.376 22.621 -10.181 0.00 0.00 P H +ATOM 624 C ALA 39 -23.296 24.201 -8.451 0.00 0.00 P C +ATOM 625 O ALA 39 -23.476 24.271 -7.231 0.00 0.00 P O +ATOM 626 NT ALA 39 -23.606 25.231 -9.221 0.00 0.00 P N +ATOM 627 HNT ALA 39 -23.276 25.161 -10.151 0.00 0.00 P H +ATOM 628 CAT ALA 39 -24.526 26.241 -9.001 0.00 0.00 P C +ATOM 629 HT1 ALA 39 -24.426 26.621 -7.961 0.00 0.00 P H +ATOM 630 HT2 ALA 39 -24.316 27.181 -9.551 0.00 0.00 P H +ATOM 631 HT3 ALA 39 -25.606 26.031 -9.191 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 6.075 4.690 16.121 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 6.385 5.600 16.111 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 5.505 4.640 16.901 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 -5.934 -20.213 -20.475 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 -6.494 -20.543 -21.175 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 -5.734 -19.313 -20.725 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 11.016 2.140 3.422 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 11.056 3.050 3.132 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 11.786 1.720 3.032 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -7.507 20.810 -23.407 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -8.047 21.430 -22.907 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -7.747 20.990 -24.317 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 5.465 -21.133 -10.987 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 5.185 -21.083 -11.907 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.005 -21.923 -10.937 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 -17.215 5.975 -5.913 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 -16.665 5.195 -5.893 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 -16.735 6.595 -6.463 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 16.717 -3.467 13.377 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 16.027 -2.937 13.767 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 17.207 -2.847 12.837 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -18.636 -16.682 22.777 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -18.066 -17.392 23.077 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -18.036 -16.022 22.437 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 -8.772 22.888 8.408 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 -8.562 22.658 7.508 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 -8.822 23.848 8.408 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 -22.146 -19.185 -8.041 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 -22.156 -18.385 -7.511 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 -21.726 -19.845 -7.491 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 23.056 -6.814 -15.481 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 23.286 -6.204 -16.181 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 22.376 -6.364 -14.981 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 7.857 14.293 9.242 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 7.977 14.263 10.192 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 8.707 14.573 8.902 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 -20.904 4.416 21.622 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 -21.434 3.796 22.122 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 -20.544 3.896 20.902 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 -24.799 12.350 14.217 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 -24.609 11.650 13.597 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 -25.639 12.100 14.607 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 15.424 -9.144 5.331 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 15.984 -9.624 5.941 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 14.574 -9.114 5.771 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 23.590 11.313 -12.893 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 23.880 10.613 -12.303 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 24.300 11.953 -12.893 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 21.255 6.770 -6.802 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 20.445 6.940 -7.272 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 21.405 7.560 -6.282 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 9.147 -21.011 6.370 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 9.827 -20.731 5.760 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 8.927 -20.221 6.870 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -4.429 13.775 -3.564 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -4.489 13.935 -4.504 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -4.139 14.615 -3.194 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 -19.280 -8.676 23.925 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 -18.740 -8.566 23.145 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 -18.860 -8.126 24.585 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 3.807 10.577 23.797 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 3.827 11.157 23.037 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 4.287 9.797 23.517 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 13.726 -25.101 22.196 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 13.026 -24.531 22.516 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 14.146 -24.601 21.506 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -17.232 12.445 -16.859 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -17.052 11.605 -16.439 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -16.912 13.095 -16.229 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 -20.009 4.611 -10.669 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 -20.369 4.891 -11.509 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 -20.529 3.841 -10.429 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 14.507 -14.393 -5.809 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 13.827 -14.723 -6.399 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 14.037 -14.013 -5.069 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -6.242 22.158 23.527 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -5.592 21.588 23.117 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -6.912 21.558 23.847 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -25.016 -10.216 -0.753 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -24.606 -9.806 -1.513 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -25.026 -9.536 -0.083 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 24.621 -4.269 -0.279 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 25.521 -4.229 0.051 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 24.151 -3.609 0.231 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -20.629 -21.368 -7.221 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -20.209 -20.828 -6.541 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -20.249 -22.238 -7.101 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 23.694 17.043 -0.733 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 24.614 17.023 -0.983 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 23.424 17.953 -0.863 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 -17.821 -3.107 13.656 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 -18.081 -3.757 14.316 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 -17.031 -2.697 14.016 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 3.680 2.896 23.179 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 2.920 2.706 23.729 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 4.290 2.186 23.359 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 -21.251 11.531 22.843 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 -21.111 11.101 23.683 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 -20.381 11.851 22.583 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 10.676 -6.405 -12.657 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 11.496 -5.985 -12.407 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 10.186 -5.725 -13.117 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 -11.760 -12.548 5.509 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 -11.130 -13.208 5.239 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 -11.730 -12.568 6.469 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -23.046 -10.010 -23.676 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -23.316 -10.880 -23.356 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -22.156 -10.140 -23.996 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 -9.049 -12.987 0.906 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 -8.969 -13.227 1.826 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 -9.899 -13.337 0.646 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 4.364 21.707 24.509 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 4.164 22.157 25.329 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 5.284 21.907 24.349 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -10.944 -9.340 15.416 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -11.834 -8.990 15.356 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -10.694 -9.190 16.326 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 20.846 -11.991 15.909 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 20.546 -11.901 15.009 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 20.626 -12.891 16.149 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -13.849 24.981 4.625 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -13.399 25.731 4.225 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -13.499 24.941 5.515 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 2.373 -9.007 -3.800 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 2.603 -9.137 -2.880 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 3.073 -8.457 -4.140 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 22.620 13.696 3.202 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 22.080 14.126 2.542 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 22.490 12.756 3.052 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 15.319 16.352 -18.189 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 14.689 16.862 -18.699 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 14.819 16.032 -17.439 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 -3.234 -7.676 -21.111 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 -2.454 -7.266 -21.471 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 -3.614 -7.006 -20.541 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 9.529 -17.260 14.030 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 10.069 -17.610 14.740 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 8.709 -17.020 14.460 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 -23.941 -14.137 -10.765 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 -23.351 -13.777 -10.105 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 -23.641 -15.027 -10.905 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -21.584 -4.765 15.412 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -21.444 -4.265 14.612 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -22.414 -5.225 15.272 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 -23.753 19.752 -18.188 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 -23.723 19.252 -19.008 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 -23.423 20.612 -18.428 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 -1.046 9.684 -4.611 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 -0.856 10.624 -4.571 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 -0.206 9.264 -4.451 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 21.584 14.734 5.334 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 22.064 14.254 4.654 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 21.774 15.654 5.144 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 22.358 8.675 9.220 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 22.118 8.225 8.410 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 22.708 7.985 9.780 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 25.036 -8.358 17.665 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 24.316 -7.818 17.325 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 24.606 -9.058 18.155 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 19.174 10.909 -13.044 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 20.104 10.709 -12.904 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 19.174 11.569 -13.744 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 7.245 -7.622 3.210 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 7.445 -8.462 3.610 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 6.305 -7.652 3.020 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -4.389 13.086 -9.386 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -3.569 13.576 -9.396 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -4.479 12.756 -10.276 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 15.864 19.241 2.731 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.304 19.021 1.981 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 15.904 18.431 3.241 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 16.799 6.227 14.641 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 17.679 6.447 14.941 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 16.669 6.737 13.851 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 21.110 -13.907 -15.359 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 20.820 -14.527 -14.699 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 20.480 -13.197 -15.319 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -6.935 1.301 -6.043 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -6.245 1.961 -6.033 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -7.745 1.801 -6.133 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 -1.987 -11.347 24.303 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 -2.717 -10.747 24.203 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 -1.277 -10.947 23.813 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 24.645 19.493 -24.084 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 24.525 20.153 -23.394 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 24.145 18.743 -23.784 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -8.833 15.795 17.647 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -7.933 15.795 17.327 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -8.743 15.805 18.597 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -17.985 -2.731 24.727 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -17.785 -3.361 24.027 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -17.335 -2.911 25.407 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -8.524 6.164 -3.754 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -8.544 5.304 -4.184 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -8.874 6.774 -4.404 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 12.551 -4.774 -11.810 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 12.142 -5.084 -11.010 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 12.142 -3.924 -11.990 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -18.629 -2.819 21.325 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -19.519 -2.469 21.255 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -18.059 -2.059 21.295 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -10.933 20.351 16.983 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -11.253 21.241 17.083 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -9.973 20.431 16.963 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -22.354 -14.805 0.756 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -22.714 -14.765 -0.134 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -21.424 -14.965 0.626 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -2.729 -10.875 15.120 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -2.849 -10.785 14.170 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -1.779 -10.805 15.250 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -24.329 -11.902 10.922 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -24.049 -11.202 11.512 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -23.519 -12.222 10.532 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 -20.172 23.675 -4.993 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 -19.262 23.755 -5.253 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 -20.212 22.875 -4.473 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 8.623 15.254 -20.278 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 8.323 14.374 -20.068 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 9.543 15.154 -20.508 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 15.571 -16.606 17.366 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 14.911 -16.876 16.736 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 15.892 -15.766 17.036 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 15.637 20.360 8.886 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 16.517 20.470 9.236 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 15.777 20.080 7.976 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 8.787 -11.086 24.320 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 8.147 -10.406 24.490 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 8.587 -11.776 24.940 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 -8.852 -3.752 6.392 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 -8.602 -2.852 6.192 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 -8.022 -4.242 6.382 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -12.297 12.629 -9.090 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -12.327 11.719 -8.790 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -12.037 13.129 -8.320 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -16.789 -17.114 -2.732 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -16.769 -16.254 -2.312 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -15.869 -17.334 -2.892 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 -17.792 23.768 -9.071 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 -18.532 23.158 -9.141 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 -17.172 23.318 -8.501 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 -6.456 -23.931 21.376 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 -7.206 -23.941 20.786 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 -5.906 -23.221 21.056 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -16.570 -19.288 10.019 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -15.620 -19.248 9.929 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -16.870 -19.798 9.259 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 -17.446 16.712 -4.244 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 -17.706 16.362 -5.094 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 -18.256 17.052 -3.864 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -9.240 14.743 -13.703 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -10.150 14.883 -13.943 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -8.770 15.483 -14.073 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 14.179 1.901 -19.587 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 14.219 2.761 -20.007 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 13.659 1.361 -20.177 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -18.051 14.001 24.299 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -18.891 14.381 24.569 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -18.291 13.251 23.749 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 -24.209 -12.968 14.729 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 -23.259 -12.888 14.749 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 -24.429 -12.978 13.799 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -13.974 15.673 1.709 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -14.884 15.393 1.609 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -13.674 15.233 2.499 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 6.701 22.097 22.952 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 6.301 21.247 22.812 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 6.501 22.587 22.152 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -12.977 13.261 -16.941 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -12.787 13.291 -17.871 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -12.917 12.341 -16.711 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 -1.536 -10.496 -15.888 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 -2.456 -10.746 -15.778 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 -1.576 -9.606 -16.238 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 23.589 -3.020 -11.704 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 23.699 -2.070 -11.564 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 22.819 -3.240 -11.184 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 -24.795 -7.961 -14.418 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 -25.385 -8.101 -15.168 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 -23.935 -7.851 -14.818 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 18.827 -0.651 5.519 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 19.307 -0.771 6.339 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 18.077 -1.251 5.589 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 1.584 17.513 -8.679 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 1.554 17.243 -9.589 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 2.164 16.883 -8.249 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 11.421 24.684 4.131 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 10.971 23.834 4.141 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 10.921 25.234 4.731 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 -0.173 10.670 -2.069 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 0.627 10.600 -2.589 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 -0.353 9.770 -1.779 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 10.043 -4.237 -16.203 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 10.013 -3.287 -16.133 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 9.323 -4.547 -15.663 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 -9.419 -15.751 -2.329 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 -8.599 -15.281 -2.179 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 -9.499 -15.781 -3.279 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 24.909 1.391 -7.609 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 25.379 0.801 -7.019 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 24.989 2.251 -7.189 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 24.815 15.052 23.814 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 23.925 15.392 23.774 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 25.375 15.832 23.854 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -12.706 23.962 -15.388 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -11.766 23.932 -15.538 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -12.836 23.462 -14.588 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 7.473 7.137 -11.875 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 6.593 6.887 -11.585 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 8.013 6.357 -11.725 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 21.468 -23.240 17.587 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 22.038 -22.830 18.227 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 21.708 -24.170 17.617 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -0.871 -15.175 17.317 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -1.551 -15.775 17.017 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -0.851 -15.295 18.267 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -7.064 -19.845 4.457 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -7.804 -19.255 4.317 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -6.794 -19.685 5.357 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 23.317 -17.248 -16.147 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 22.897 -17.068 -15.307 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 23.067 -18.148 -16.347 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -14.262 20.515 -15.734 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -13.482 21.035 -15.954 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -14.262 19.805 -16.374 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 6.990 -16.973 5.483 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 7.090 -17.523 6.263 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 7.800 -17.123 4.983 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.194 -20.676 8.441 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 14.234 -20.566 7.491 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.964 -20.226 8.771 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -9.463 5.029 -11.931 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -10.273 4.699 -12.311 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -9.423 4.639 -11.061 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 6.438 13.400 -9.958 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 6.338 13.990 -10.698 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 6.628 12.550 -10.348 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 -6.726 16.681 -10.461 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 -6.436 16.451 -11.351 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 -6.146 17.401 -10.211 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 -15.237 4.383 11.811 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 -15.327 3.533 12.241 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 -15.827 4.323 11.051 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 8.685 -8.153 -13.820 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 9.245 -8.623 -14.430 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 9.215 -7.413 -13.520 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -8.415 3.253 -21.333 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -9.035 3.493 -22.023 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -7.595 3.083 -21.793 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -6.237 9.368 13.703 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -5.417 9.748 13.403 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -6.617 8.968 12.923 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -7.751 4.711 -9.158 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -7.921 5.591 -9.488 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -6.811 4.601 -9.248 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -8.105 21.666 17.385 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -7.525 21.806 18.135 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -8.545 22.516 17.265 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -14.415 -20.684 6.519 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -14.135 -20.034 7.169 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -15.015 -21.254 6.999 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 -17.282 16.472 13.825 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 -17.352 15.902 13.065 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 -17.722 17.282 13.555 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -14.301 -19.427 20.412 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -14.891 -19.257 21.152 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -13.521 -19.817 20.812 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 18.980 8.158 13.116 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 19.470 7.618 12.486 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 19.490 8.958 13.206 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 -0.261 -0.917 -2.202 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 -0.431 -0.007 -1.962 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 0.519 -1.157 -1.722 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 -19.579 6.659 -2.789 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 -19.539 5.749 -3.089 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 -19.229 7.169 -3.519 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 2.038 23.919 -4.659 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 2.938 24.159 -4.869 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 2.118 23.189 -4.049 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -4.684 -3.742 20.391 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -5.544 -3.692 20.811 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -4.584 -2.902 19.941 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 2.338 15.066 18.415 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 2.518 15.846 17.895 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 1.508 14.736 18.075 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -16.016 -13.569 -3.136 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -15.216 -13.929 -2.746 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -16.646 -13.539 -2.416 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 1.138 13.971 -8.648 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 1.968 14.151 -8.218 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 1.298 14.151 -9.568 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 -2.551 24.613 -22.198 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 -3.121 25.373 -22.108 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 -1.691 24.933 -21.938 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 -9.963 1.769 -11.878 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 -10.793 2.179 -11.628 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 -10.203 0.869 -12.108 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 3.379 18.464 -18.461 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 3.199 19.254 -18.971 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 3.539 17.784 -19.121 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 -22.623 11.229 -14.999 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 -22.413 10.319 -14.819 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 -21.813 11.609 -15.349 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 0.353 2.421 0.322 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -0.037 3.091 0.872 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -0.377 1.831 0.102 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 24.304 4.619 4.466 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 24.204 4.699 3.516 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 24.324 3.669 4.626 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 3.505 11.657 -9.439 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 2.565 11.617 -9.269 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 3.765 12.517 -9.109 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 15.511 14.963 14.432 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 15.821 14.683 13.572 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 14.571 15.043 14.332 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 12.084 -21.922 -3.585 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 12.854 -21.402 -3.355 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 12.294 -22.302 -4.435 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 -18.427 -8.245 -15.572 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 -19.207 -8.255 -15.022 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 -18.757 -8.115 -16.462 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -22.655 24.073 -16.151 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -22.055 24.463 -15.511 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -22.855 24.783 -16.751 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 14.048 8.201 -12.810 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 14.108 7.461 -12.210 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 14.868 8.171 -13.310 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 2.724 9.423 0.005 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 2.594 8.863 0.765 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 2.164 9.053 -0.675 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -2.714 1.880 21.921 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -2.844 2.260 22.781 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -3.594 1.780 21.561 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 0.565 -18.071 16.892 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 1.325 -18.661 16.882 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 0.375 -17.911 15.962 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 -16.790 -2.591 -10.683 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 -16.420 -3.471 -10.603 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 -16.030 -2.021 -10.743 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 19.390 18.494 -10.924 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 18.490 18.294 -11.194 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 19.920 17.874 -11.424 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 4.381 17.888 -9.261 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 3.651 17.688 -9.841 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 4.971 18.438 -9.781 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -14.084 19.459 23.549 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -14.644 20.229 23.419 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -13.594 19.389 22.729 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 -8.012 -17.181 14.117 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 -8.892 -16.821 14.197 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 -7.582 -16.971 14.947 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 10.217 -8.477 0.276 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 10.757 -7.727 0.506 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 10.837 -9.167 0.046 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 20.369 -0.136 10.897 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 20.629 0.624 10.387 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 20.959 -0.836 10.617 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 21.193 -23.947 -9.320 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 20.323 -23.737 -8.980 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 21.723 -23.177 -9.100 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -16.199 -7.520 -18.499 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -16.569 -8.210 -19.049 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -15.299 -7.810 -18.339 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -5.740 -20.112 22.142 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -4.940 -20.352 22.592 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -5.760 -19.152 22.172 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 23.280 8.636 -12.073 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 22.370 8.496 -12.363 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 23.790 8.026 -12.593 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 -14.339 -18.862 -9.180 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 -14.779 -18.192 -9.700 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 -13.859 -18.372 -8.510 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 22.861 21.750 11.249 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 22.991 21.050 10.599 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 23.131 21.360 12.079 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 -17.010 15.131 -21.672 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 -16.260 14.821 -21.152 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 -17.750 15.111 -21.062 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 -13.554 -19.845 10.096 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 -14.104 -20.635 10.126 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 -12.684 -20.175 9.906 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 25.340 -21.384 4.865 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 25.100 -20.684 5.465 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 24.710 -21.324 4.145 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 -3.550 -5.507 4.209 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 -3.460 -6.117 4.949 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 -3.560 -6.077 3.439 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 1.430 22.064 -21.512 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 2.110 22.434 -22.082 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 1.000 21.404 -22.052 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 -7.019 0.602 -1.147 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 -6.109 0.552 -1.437 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 -7.469 1.062 -1.857 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 5.065 11.076 -17.141 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 4.565 11.876 -17.341 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 5.385 11.216 -16.241 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 -9.526 9.195 22.522 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 -8.726 8.805 22.162 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 -9.456 10.125 22.302 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -15.446 -5.180 -21.655 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -15.126 -4.670 -20.915 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.476 -6.090 -21.335 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 22.110 11.056 1.096 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 23.000 10.766 0.876 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 21.640 11.056 0.266 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 8.231 14.993 -8.678 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 7.621 14.483 -9.218 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 9.041 14.483 -8.688 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -15.935 9.548 18.591 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -16.345 9.558 17.721 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -15.405 10.348 18.611 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 11.873 1.959 21.837 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 12.213 1.329 21.197 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 11.133 2.379 21.387 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 -1.391 12.971 12.187 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 -1.151 13.901 12.167 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 -1.371 12.701 11.267 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -1.406 -5.705 -21.998 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.046 -5.465 -22.858 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.016 -4.995 -21.788 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 11.480 14.872 -21.884 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 11.660 14.902 -20.944 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 12.100 15.492 -22.264 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 21.375 -17.029 3.539 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 21.335 -17.869 3.089 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 21.045 -17.209 4.419 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 -11.684 4.471 15.072 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 -11.614 5.011 15.862 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 -11.414 5.061 14.362 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 -2.105 5.268 -4.456 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 -2.205 6.178 -4.166 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 -1.405 5.308 -5.116 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 -17.222 11.436 11.574 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 -18.042 11.236 12.014 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 -17.182 12.386 11.544 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 16.267 -22.555 -23.318 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 15.797 -21.995 -23.928 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 15.907 -22.345 -22.458 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 -17.401 4.389 -10.215 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 -17.381 3.509 -9.835 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 -18.321 4.539 -10.435 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 19.669 -4.291 7.427 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 19.449 -4.651 6.567 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.129 -5.001 7.877 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 3.470 -4.572 15.407 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 3.430 -3.842 16.017 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 2.850 -4.342 14.717 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 -16.057 3.398 -13.133 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 -16.757 4.058 -13.053 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 -15.247 3.908 -13.123 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 -5.644 -16.782 22.576 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 -6.204 -17.132 23.276 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 -6.204 -16.792 21.796 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 -19.875 18.331 15.811 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 -20.495 17.971 16.451 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 -20.245 18.091 14.961 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 -5.407 9.440 24.014 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 -5.337 9.870 23.164 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 -6.167 8.870 23.924 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -11.913 13.697 -24.661 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -12.393 14.527 -24.641 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -12.363 13.177 -25.331 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 1.933 18.250 11.425 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 1.123 18.610 11.785 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 2.403 19.010 11.075 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -16.144 -5.264 24.056 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -15.374 -5.614 24.496 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -15.984 -5.454 23.126 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 -25.403 -7.809 23.309 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 -25.233 -6.959 22.889 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 -24.563 -8.079 23.669 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 -22.261 5.084 -1.315 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 -22.531 4.864 -2.205 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 -21.491 5.634 -1.415 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -0.395 -5.930 18.469 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -0.915 -6.590 18.019 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -0.625 -6.040 19.389 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 19.804 -14.528 22.595 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 20.224 -14.248 21.785 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 20.384 -15.218 22.925 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 -10.086 1.250 20.567 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 -10.126 1.920 21.257 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 -11.006 1.060 20.357 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 2.079 -5.538 -6.458 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 2.069 -5.028 -5.648 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 2.499 -4.978 -7.108 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -14.545 -18.097 -4.379 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -14.995 -17.997 -5.219 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -14.265 -19.017 -4.369 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 23.389 -17.077 -5.228 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 24.169 -16.807 -4.738 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 23.539 -17.997 -5.438 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 -13.025 -5.188 -11.071 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 -12.525 -5.918 -11.461 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 -13.545 -4.848 -11.791 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -1.649 13.580 -16.827 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -1.319 13.530 -15.927 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -2.389 12.980 -16.837 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 17.774 21.095 3.532 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 17.504 21.645 4.272 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 17.234 20.305 3.612 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -1.761 1.295 -1.428 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -1.791 0.445 -1.858 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -1.781 1.925 -2.158 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 10.609 -18.813 16.806 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 10.429 -18.773 17.746 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 10.679 -19.753 16.626 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -10.014 1.554 -6.108 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -9.644 1.464 -6.988 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -10.694 0.884 -6.078 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 10.109 11.582 -8.160 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 9.719 10.702 -8.140 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 10.269 11.792 -7.230 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 11.325 -19.942 -17.111 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 10.795 -20.202 -17.871 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 10.725 -19.412 -16.581 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -18.343 18.752 -11.993 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -18.323 18.552 -11.063 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -19.143 19.262 -12.113 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 25.204 -16.655 -9.541 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 24.984 -16.315 -10.401 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 24.444 -16.455 -9.001 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 -12.587 20.968 21.437 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 -13.017 21.628 21.967 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 -11.657 21.218 21.437 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 21.194 16.033 9.395 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 20.524 16.063 10.075 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 21.014 15.223 8.915 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 2.505 -25.104 -10.288 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.105 -24.814 -10.968 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 2.885 -24.784 -9.478 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 6.998 -13.938 -1.138 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 7.408 -13.378 -1.788 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 6.238 -14.308 -1.578 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 13.925 -24.855 -22.093 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 13.265 -24.605 -22.733 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 13.635 -25.705 -21.753 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 0.998 15.868 -18.947 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 1.518 16.278 -19.627 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 1.258 14.948 -18.947 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 8.807 23.313 -17.558 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 8.027 22.813 -17.808 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 8.677 24.173 -17.948 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 18.465 21.124 17.315 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 18.735 22.004 17.575 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 18.625 20.574 18.075 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -23.079 -1.039 -13.483 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -23.449 -1.779 -13.003 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -22.239 -0.869 -13.053 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 -0.992 16.745 -16.928 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 -0.422 15.975 -16.958 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 -1.012 16.995 -16.008 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 15.608 -4.993 -19.101 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 14.968 -5.043 -18.391 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 16.458 -5.023 -18.661 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 -24.674 -0.787 3.465 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 -24.544 -0.317 2.645 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 -24.584 -0.117 4.145 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 3.035 -23.706 0.595 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 3.075 -24.246 -0.205 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 3.655 -22.996 0.425 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 16.744 -10.340 13.049 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 16.514 -9.630 13.639 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 16.934 -9.920 12.209 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 5.744 24.610 9.676 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 6.584 25.060 9.556 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 5.894 24.010 10.406 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 12.959 -6.553 -16.320 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 13.559 -6.543 -15.570 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 12.649 -5.653 -16.390 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 16.131 5.928 -0.421 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 15.881 5.358 0.299 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 16.701 5.388 -0.971 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 -23.145 -4.388 0.816 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 -22.795 -4.278 1.706 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 -22.665 -3.738 0.296 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 1.936 -13.047 13.573 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 1.126 -13.497 13.323 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 2.486 -13.097 12.783 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 -7.725 6.866 2.613 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 -8.225 7.546 2.163 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 -7.345 7.306 3.363 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 5.493 -9.006 -6.820 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 6.163 -9.246 -6.180 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 5.673 -9.566 -7.570 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -18.565 9.141 -8.373 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -18.815 9.771 -9.043 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -19.155 8.401 -8.503 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 7.359 -6.949 -9.660 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 7.189 -6.969 -8.720 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 8.159 -6.429 -9.750 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 -9.845 15.354 22.251 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 -9.345 14.814 22.861 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 -9.855 14.854 21.441 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 1.016 24.624 20.555 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 1.526 24.054 19.975 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 1.166 25.504 20.205 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 -23.459 21.429 8.486 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 -23.079 21.229 7.636 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 -23.239 22.349 8.636 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 23.423 -1.650 7.817 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 23.523 -1.880 8.747 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 24.303 -1.750 7.457 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -4.342 -1.781 -3.924 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -4.892 -1.281 -4.534 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -3.512 -1.301 -3.904 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 5.561 -11.153 -13.622 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 4.721 -10.773 -13.872 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 5.761 -11.763 -14.332 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -12.112 -21.728 15.886 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -12.782 -21.178 15.496 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -11.542 -21.988 15.156 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 12.987 -5.183 -23.082 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 12.597 -6.033 -22.862 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 13.657 -5.053 -22.402 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -13.310 -5.748 -5.003 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -12.770 -5.818 -4.213 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.380 -6.648 -5.323 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 0.765 2.899 -3.576 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 1.175 3.249 -4.366 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 1.245 2.079 -3.406 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 13.034 -20.924 23.120 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 12.674 -21.314 23.920 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 13.714 -21.544 22.840 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 -2.037 21.217 -20.581 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 -2.177 21.387 -21.511 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 -1.407 20.507 -20.561 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 -6.412 4.812 20.190 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 -7.212 4.282 20.250 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 -6.682 5.602 19.730 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -17.030 22.706 -6.168 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -17.060 23.566 -5.748 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -16.120 22.596 -6.428 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 14.400 1.082 -10.440 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 13.720 0.572 -10.000 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 15.040 1.282 -9.750 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 -5.992 7.808 -5.354 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 -6.182 7.398 -4.514 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 -5.402 8.528 -5.144 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -17.075 25.071 -14.442 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -16.795 24.191 -14.712 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -17.165 25.551 -15.262 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 -21.431 12.099 10.801 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 -22.051 11.449 10.471 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 -20.571 11.789 10.501 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 -4.886 -25.087 -9.941 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 -5.606 -25.707 -9.861 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 -5.246 -24.387 -10.501 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 12.737 -24.705 1.352 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 12.447 -24.715 2.262 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 13.037 -25.605 1.192 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 13.719 23.251 -0.339 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 13.539 22.461 -0.849 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 14.329 22.971 0.341 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -21.116 3.443 24.273 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -21.356 2.863 24.993 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -20.426 2.973 23.803 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 -2.369 11.050 -8.301 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 -2.469 11.670 -9.021 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 -3.069 10.420 -8.441 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 -0.482 -12.551 -23.970 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 -0.592 -12.171 -24.840 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 -1.332 -12.431 -23.550 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 3.050 -17.057 13.984 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 2.940 -17.957 14.264 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 2.270 -16.607 14.304 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 16.594 2.336 23.656 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 17.464 2.716 23.506 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 15.984 3.046 23.446 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 -14.663 19.663 10.235 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 -15.613 19.613 10.135 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 -14.363 20.103 9.435 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -21.189 -2.798 8.765 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -20.679 -2.478 9.515 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -20.779 -3.638 8.545 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 9.604 6.431 23.875 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 8.754 6.071 23.615 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 9.814 7.071 23.195 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 24.234 -15.389 6.506 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 24.454 -16.289 6.276 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 24.524 -15.289 7.406 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 -17.429 -3.518 2.002 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 -17.399 -2.578 2.132 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 -18.149 -3.818 2.562 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 -22.102 16.522 15.372 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 -22.292 16.312 14.462 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 -22.852 16.172 15.862 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 -0.049 2.848 22.385 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 -0.839 2.448 22.015 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 0.141 2.328 23.165 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -21.873 7.170 -20.371 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -21.833 6.750 -19.521 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -21.783 6.460 -21.001 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -9.121 4.944 16.126 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -9.501 4.834 15.256 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -9.721 4.484 16.706 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 8.519 10.165 -2.180 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 8.509 10.875 -1.540 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 8.319 10.595 -3.010 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 11.226 17.785 -5.758 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 11.436 16.895 -6.048 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 10.506 18.055 -6.318 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 7.129 -1.990 -13.248 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 6.389 -2.170 -13.828 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 7.039 -1.060 -13.018 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 22.323 1.993 -8.403 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 21.753 1.223 -8.443 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 23.153 1.653 -8.083 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 -24.887 -11.437 -5.263 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 -25.787 -11.357 -5.563 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 -24.357 -11.317 -6.043 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 -0.289 13.847 17.960 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 0.281 13.127 18.230 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 -0.949 13.427 17.400 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 19.287 18.369 7.286 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 19.717 18.969 7.896 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 19.857 18.359 6.516 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 1.640 -4.110 12.496 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 1.900 -3.190 12.406 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 0.990 -4.100 13.196 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 17.445 18.618 -15.583 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 17.205 18.878 -14.693 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 16.725 18.058 -15.873 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 0.363 13.843 1.941 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -0.427 13.743 2.461 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 0.203 14.613 1.391 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 6.857 24.408 -12.074 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 6.327 24.048 -11.364 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 6.477 25.268 -12.244 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 -11.591 -3.042 -17.883 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 -11.011 -2.432 -18.343 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 -11.991 -2.512 -17.183 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -3.541 23.209 24.254 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -3.311 22.939 23.364 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -4.361 22.749 24.444 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 17.974 2.988 19.860 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 18.194 3.618 20.540 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 18.794 2.858 19.380 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.174 18.538 -3.291 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -9.364 19.298 -2.741 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -8.554 18.858 -3.941 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 19.669 -21.022 -19.997 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 20.479 -21.502 -20.177 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 19.779 -20.692 -19.107 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 4.563 10.008 -11.389 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 4.323 10.368 -10.539 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 4.653 10.768 -11.959 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 16.554 4.102 -6.897 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 16.814 3.522 -7.617 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 17.304 4.082 -6.297 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -2.879 -11.710 19.025 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -2.959 -12.580 19.405 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -3.779 -11.470 18.785 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 -22.044 -8.523 -11.136 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 -21.784 -9.403 -10.866 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 -22.874 -8.363 -10.686 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 13.933 2.680 -23.918 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 14.523 3.430 -23.858 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 14.423 2.030 -24.418 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -4.616 -0.338 8.399 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -4.486 -1.008 7.729 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -5.446 -0.568 8.809 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 2.939 -10.590 5.329 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 3.429 -10.830 6.119 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 2.229 -10.040 5.649 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -3.347 17.789 1.671 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -2.437 17.769 1.971 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -3.467 18.669 1.321 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 -6.183 -16.096 -20.029 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 -5.293 -16.056 -19.659 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 -6.563 -15.246 -19.829 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 24.527 -13.579 23.255 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 25.277 -13.139 23.655 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 24.227 -12.979 22.575 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -13.307 25.125 -19.040 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -13.607 24.255 -18.750 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -14.047 25.485 -19.530 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 -9.334 13.270 -9.252 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 -8.514 12.870 -8.962 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 -9.704 12.640 -9.872 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 10.461 -7.795 -21.319 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 10.911 -8.505 -21.779 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 10.881 -7.775 -20.459 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 -12.493 10.945 9.325 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 -13.353 10.545 9.425 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 -12.523 11.395 8.485 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 10.514 -15.239 22.587 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 10.194 -15.899 23.197 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 10.104 -15.459 21.757 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 -12.251 7.304 14.695 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 -12.511 8.214 14.555 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 -12.421 6.884 13.855 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 15.187 16.971 3.865 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 15.237 16.011 3.815 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 14.557 17.141 4.565 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 -6.552 10.251 21.598 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 -6.412 9.551 20.968 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 -6.042 10.991 21.248 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 22.930 -22.852 6.655 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 22.520 -22.942 7.515 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 23.380 -23.682 6.515 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 18.065 23.387 -3.064 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 18.685 22.737 -2.734 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 17.425 23.477 -2.354 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 18.906 13.221 -1.045 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 19.036 14.061 -1.495 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 19.456 13.281 -0.265 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 -6.570 25.158 5.777 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 -7.230 25.858 5.767 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 -6.800 24.608 5.037 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -0.842 -7.920 24.819 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -1.742 -8.090 25.069 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -0.762 -6.970 24.829 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -6.734 -20.138 -6.245 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -7.604 -20.538 -6.305 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -6.134 -20.828 -6.525 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 -7.869 -9.770 2.129 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 -7.729 -10.330 1.359 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 -8.649 -9.270 1.909 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -14.494 6.492 -5.405 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -14.144 7.382 -5.455 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -14.494 6.192 -6.315 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 20.356 -0.138 2.617 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 20.516 -0.618 1.807 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 20.746 -0.688 3.297 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -16.762 -11.295 18.725 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -16.162 -10.995 19.405 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -17.042 -12.165 19.015 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 -25.014 -2.921 9.838 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 -24.244 -3.191 10.328 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 -24.794 -3.091 8.918 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -20.652 9.677 -3.452 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -20.682 9.237 -2.602 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -21.252 9.177 -4.002 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 -9.430 21.498 5.952 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 -9.700 20.588 5.942 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 -8.620 21.518 5.442 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.570 -21.745 -23.306 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.650 -20.795 -23.316 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -20.130 -22.035 -24.026 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 6.575 -24.777 22.076 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 6.755 -25.077 22.966 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 7.375 -24.957 21.586 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -1.037 -16.639 24.661 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -1.677 -15.939 24.781 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -1.337 -17.099 23.871 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 13.165 -4.010 0.543 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 13.255 -4.600 1.283 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 13.795 -3.310 0.713 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -19.764 -0.321 9.306 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -19.834 -0.001 8.406 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -20.084 0.399 9.846 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -13.391 13.220 15.981 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -12.451 13.380 16.081 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -13.501 13.020 15.051 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 8.499 -24.154 -24.232 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 8.369 -24.884 -24.822 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 8.509 -23.374 -24.792 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 0.807 -11.241 -1.064 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 0.457 -10.611 -1.694 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 0.037 -11.761 -0.794 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 0.331 -10.145 -9.309 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -0.249 -9.415 -9.069 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 1.001 -10.145 -8.629 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -14.497 -17.490 -17.268 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -13.927 -16.840 -17.688 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -14.697 -18.110 -17.968 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 8.048 -24.337 0.023 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 8.288 -24.407 -0.907 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 7.668 -23.457 0.103 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 12.854 -0.649 -8.385 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 12.514 0.221 -8.155 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 12.104 -1.099 -8.795 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.025 19.644 8.801 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -16.785 19.544 7.881 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.635 18.934 8.971 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -8.535 -16.938 -11.913 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -9.375 -17.398 -11.813 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -8.635 -16.128 -11.423 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -9.514 -2.634 -21.521 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -8.974 -2.424 -22.281 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -9.104 -2.164 -20.801 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 13.421 1.666 8.429 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 14.151 2.256 8.589 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 13.451 1.476 7.499 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 8.085 23.526 -14.594 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 7.285 23.376 -15.084 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 7.795 23.846 -13.744 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 20.046 23.368 14.679 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 20.766 23.988 14.589 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 19.586 23.398 13.839 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 4.515 -16.911 -7.183 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 5.425 -17.041 -7.463 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 4.195 -16.191 -7.733 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -9.084 -4.771 -18.451 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -8.454 -4.401 -17.831 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -9.934 -4.541 -18.081 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 15.007 18.876 -20.200 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 15.697 19.486 -19.950 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 15.077 18.826 -21.160 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 11.183 -5.507 14.415 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 10.553 -5.367 15.115 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 11.283 -4.637 14.015 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 9.138 14.832 -16.920 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 8.398 15.222 -17.400 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 9.268 15.402 -16.170 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.908 -22.957 19.426 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 2.758 -23.137 19.836 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 2.048 -23.147 18.496 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -15.312 -20.095 -14.615 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -15.872 -20.635 -15.165 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -14.512 -19.975 -15.115 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -1.021 -4.588 5.427 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -1.881 -4.828 5.077 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -0.751 -3.818 4.917 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 6.306 -17.095 -12.581 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 6.766 -17.385 -11.791 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 6.956 -16.565 -13.051 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 -7.504 7.930 -25.269 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 -8.434 7.740 -25.159 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 -7.054 7.160 -24.919 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 1.050 20.480 -13.502 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 1.610 20.500 -14.282 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 0.160 20.570 -13.842 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 22.304 24.473 -18.398 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 21.684 23.763 -18.558 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 22.954 24.383 -19.088 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 2.834 23.520 12.986 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 2.064 22.970 13.116 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 2.684 23.940 12.146 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 4.925 0.698 -4.985 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 5.875 0.698 -4.855 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 4.815 0.438 -5.905 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -12.930 12.733 13.455 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -11.980 12.613 13.515 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -13.130 12.563 12.535 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 21.903 12.881 -22.449 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 21.693 12.481 -21.599 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 22.853 12.871 -22.489 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 19.126 -7.637 -3.415 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 19.176 -8.547 -3.685 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 19.526 -7.147 -4.135 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 -13.474 -8.202 18.354 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 -13.564 -9.012 18.864 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 -13.414 -8.492 17.444 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 -1.697 0.787 -17.015 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 -2.547 0.447 -17.295 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 -1.497 1.477 -17.655 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 15.133 -21.685 -7.378 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 15.603 -22.125 -8.088 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 15.733 -21.005 -7.078 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 -17.207 -18.847 -10.384 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 -17.247 -17.897 -10.464 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 -18.007 -19.157 -10.814 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 23.026 23.151 17.202 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 23.376 23.981 17.512 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 22.806 23.301 16.282 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.262 9.850 -21.193 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -21.602 10.220 -21.773 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -21.982 8.940 -21.063 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 19.820 7.939 -23.308 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 19.120 7.299 -23.228 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 19.740 8.479 -22.518 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 -23.789 -8.716 -2.878 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 -23.899 -7.966 -3.458 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 -23.529 -9.436 -3.458 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -24.042 1.249 19.152 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -23.492 0.479 19.052 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -24.182 1.329 20.102 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 -21.304 23.915 22.862 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 -21.914 23.425 22.302 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 -21.254 23.405 23.662 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 -15.170 1.843 -2.654 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 -14.660 2.583 -2.974 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 -16.050 1.983 -3.004 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 -3.539 3.498 3.845 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 -4.359 3.568 4.345 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 -2.909 3.988 4.365 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 6.071 -11.510 -20.471 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 5.281 -11.910 -20.821 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 6.251 -10.780 -21.061 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 16.920 4.525 10.471 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 17.180 3.705 10.051 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 16.800 4.285 11.391 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 0.214 10.645 1.092 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 0.134 11.585 1.272 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 0.614 10.605 0.222 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 1.517 11.131 -4.274 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 2.067 11.901 -4.114 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 1.297 11.191 -5.204 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 -22.983 23.601 19.942 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 -22.133 23.991 19.722 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 -22.813 22.651 19.952 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -2.414 23.019 -4.660 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -2.404 23.099 -5.620 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -1.744 23.629 -4.360 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -7.455 -1.938 4.555 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -7.205 -1.138 4.085 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -7.905 -2.468 3.905 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 1.430 -2.131 2.781 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 1.510 -3.081 2.891 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 0.880 -2.031 2.001 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 -14.911 -4.518 1.051 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 -15.021 -5.068 1.831 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 -15.541 -3.808 1.171 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 15.671 -0.032 -24.375 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.001 -0.622 -25.045 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 15.001 -0.532 -23.915 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 14.574 -0.741 -15.493 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 15.244 -0.341 -16.043 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 13.744 -0.401 -15.823 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 20.696 21.608 -6.568 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 20.986 20.858 -6.058 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 21.496 21.948 -6.978 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 -1.023 -1.271 -7.111 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 -0.293 -1.201 -6.501 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 -0.803 -2.011 -7.671 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -25.289 -12.048 -24.303 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -24.469 -12.188 -24.793 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -25.309 -12.758 -23.663 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 0.907 19.445 -0.168 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 1.817 19.565 -0.448 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 0.387 19.945 -0.798 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 -6.300 8.150 -0.359 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 -6.140 8.900 -0.939 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 -7.140 7.800 -0.629 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 -18.993 15.505 16.106 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 -18.143 15.345 16.506 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 -18.813 16.065 15.356 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 -18.449 -7.501 -22.055 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 -18.319 -6.771 -21.455 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 -18.399 -7.101 -22.925 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -13.912 19.788 16.919 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -14.362 19.198 16.309 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -13.432 19.198 17.509 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 -5.582 5.780 5.306 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 -5.582 5.410 6.186 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 -6.202 6.510 5.346 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 2.469 -9.587 13.595 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 2.489 -8.647 13.785 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 2.169 -9.647 12.685 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 -3.984 21.370 22.339 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 -4.204 20.500 22.009 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 -3.034 21.370 22.379 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 5.715 -1.340 6.549 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 5.955 -1.500 7.469 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 5.435 -2.190 6.219 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -14.313 25.259 20.101 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -14.483 24.349 19.861 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -15.023 25.759 19.671 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 0.069 17.192 -2.020 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 0.849 16.942 -2.520 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 0.399 17.812 -1.360 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -15.971 -0.240 24.747 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -15.161 -0.720 24.897 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -16.441 -0.750 24.087 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 -21.203 22.301 6.270 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 -21.383 23.051 5.700 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 -21.643 21.571 5.840 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 10.688 2.888 9.051 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 10.768 3.828 9.201 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 11.588 2.568 9.061 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -21.469 -18.608 -11.337 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -22.379 -18.388 -11.187 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -21.459 -19.558 -11.427 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 -17.383 -9.533 -5.061 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 -17.123 -8.813 -5.641 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 -17.783 -10.173 -5.651 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 18.011 6.268 -22.005 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 18.681 5.668 -22.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 17.181 5.888 -22.305 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -1.584 -23.871 19.750 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -2.224 -23.621 19.080 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -1.604 -24.821 19.760 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 -10.575 17.541 14.229 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 -10.155 17.321 15.059 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 -10.815 18.471 14.319 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 -12.600 6.524 -0.916 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 -11.870 5.914 -0.866 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 -12.450 7.134 -0.186 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -8.511 -6.793 -20.393 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -8.121 -5.993 -20.053 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -8.991 -7.163 -19.653 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 10.131 7.155 1.913 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 9.521 6.425 2.063 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 9.571 7.915 1.753 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 5.845 16.144 23.525 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 6.265 15.624 24.215 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 5.095 15.624 23.265 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 -22.870 -4.272 24.321 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 -22.930 -3.322 24.431 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 -22.430 -4.572 25.111 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 4.418 8.530 -15.738 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 5.158 8.670 -15.138 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 4.178 9.410 -16.028 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 25.335 -0.811 11.565 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 24.655 -0.851 12.245 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 24.935 -1.231 10.805 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 7.498 -12.090 9.562 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 8.218 -12.000 8.942 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.298 -13.030 9.552 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 4.655 -15.413 6.009 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 4.665 -16.303 5.659 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 4.455 -14.863 5.249 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 7.359 0.011 21.943 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 7.809 0.041 21.093 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 7.419 -0.899 22.213 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 -19.629 -22.985 -14.104 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 -20.299 -23.445 -13.594 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 -20.099 -22.635 -14.854 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 -12.430 18.690 -21.052 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 -11.470 18.660 -20.992 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 -12.640 19.610 -21.162 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 -5.507 -17.873 14.641 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 -5.257 -17.603 15.521 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 -6.377 -17.503 14.501 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 7.966 5.528 1.852 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 7.646 4.758 2.312 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 7.216 6.128 1.852 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -2.846 -0.621 -10.458 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -2.626 -1.501 -10.138 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -3.646 -0.741 -10.978 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.534 -4.576 8.522 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 15.044 -4.646 9.322 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 14.814 -3.736 8.132 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 15.055 6.371 -6.041 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 15.295 5.511 -6.381 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 15.065 6.941 -6.811 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 4.561 -16.927 -20.903 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 3.711 -16.627 -21.203 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 4.761 -17.687 -21.453 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 6.387 -8.744 7.802 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 7.087 -8.584 7.162 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 5.847 -7.954 7.772 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -22.402 -4.719 -20.801 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -22.792 -4.839 -19.931 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -21.562 -5.179 -20.741 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 18.078 -24.286 -15.398 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 17.918 -24.646 -14.528 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 18.108 -25.046 -15.978 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 16.245 10.115 20.442 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 17.165 10.035 20.202 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 15.785 10.225 19.602 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 -12.002 23.465 -8.988 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 -11.452 23.375 -8.208 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 -11.442 23.935 -9.618 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 3.899 -22.465 -4.200 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 3.199 -22.585 -3.560 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 3.859 -21.535 -4.430 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 6.520 -16.218 -4.140 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 7.310 -15.918 -3.700 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 6.550 -15.798 -5.000 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -15.906 -24.888 2.281 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -15.386 -25.208 3.021 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -15.516 -24.038 2.061 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -8.977 -7.970 -12.395 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -8.657 -8.290 -11.545 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -9.817 -7.560 -12.185 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 12.741 2.015 -15.227 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 12.251 2.785 -15.527 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 13.301 1.785 -15.957 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 16.030 15.027 -11.891 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 15.130 15.317 -12.061 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 15.930 14.197 -11.421 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 12.378 -15.900 -16.854 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 12.688 -16.530 -16.204 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 11.638 -15.460 -16.424 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 18.689 2.960 -8.685 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 19.039 3.710 -9.155 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 19.349 2.280 -8.785 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 0.515 21.950 7.010 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 0.365 22.570 7.720 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 0.465 22.480 6.210 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -14.712 -13.349 -22.782 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -14.142 -12.879 -22.182 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -15.142 -14.019 -22.242 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 7.944 17.765 3.052 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 7.114 17.295 2.962 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 7.814 18.325 3.812 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 22.383 -22.827 11.772 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 22.033 -22.537 12.612 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 22.413 -23.777 11.842 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 13.313 -6.157 23.337 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 13.543 -6.847 23.967 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 13.673 -5.357 23.717 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 24.181 10.728 11.092 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 25.061 10.978 10.802 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 23.691 10.618 10.272 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 -21.157 -13.617 -2.178 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 -20.527 -12.937 -1.938 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 -21.037 -13.727 -3.118 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -14.573 -22.122 -16.973 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -13.883 -22.672 -16.593 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -14.953 -22.652 -17.673 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 15.188 -12.635 13.135 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 15.948 -12.065 13.095 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 14.438 -12.045 13.165 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 -5.989 23.005 -8.406 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 -6.409 22.275 -8.856 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 -5.049 22.885 -8.586 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -21.487 24.798 -22.837 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -21.637 25.008 -21.917 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -22.277 24.338 -23.117 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 15.533 1.265 15.715 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 16.123 0.835 15.095 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 15.933 2.115 15.875 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 13.811 23.138 7.099 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 13.561 23.958 7.519 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 13.521 22.458 7.699 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -8.452 -5.611 24.052 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -8.932 -6.341 23.642 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -8.862 -5.511 24.912 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -7.416 19.723 24.169 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -6.786 19.113 24.569 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -7.816 19.223 23.459 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 10.640 17.770 -17.650 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 10.920 17.690 -18.560 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 10.920 18.650 -17.380 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 1.936 16.539 -11.378 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 2.196 17.459 -11.328 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 2.236 16.259 -12.248 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -24.592 -3.155 -13.255 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -24.012 -3.615 -13.865 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -25.462 -3.515 -13.425 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 -23.746 17.943 -16.105 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 -24.016 18.743 -16.555 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 -22.826 18.093 -15.885 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 13.945 19.918 -7.380 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 14.495 19.128 -7.350 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 13.685 20.068 -6.470 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 14.148 6.588 -24.321 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 13.608 6.458 -23.541 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 13.678 6.128 -25.021 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 -17.561 25.043 -4.942 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 -18.431 25.433 -4.902 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 -17.481 24.543 -4.122 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 -19.060 2.025 -6.017 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 -19.540 1.355 -6.497 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 -19.290 2.845 -6.457 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -10.579 -22.528 0.887 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -11.289 -21.908 1.037 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -9.919 -22.298 1.537 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 14.165 -20.645 -22.030 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 13.575 -19.895 -22.110 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 13.665 -21.385 -22.370 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 5.659 15.691 -22.995 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 5.289 16.521 -22.685 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 6.599 15.801 -22.895 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 -12.960 -5.091 9.716 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 -12.900 -5.951 9.296 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 -12.190 -4.621 9.396 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 4.753 -2.438 12.135 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 3.973 -1.968 11.845 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 5.413 -1.748 12.255 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 12.229 23.372 12.609 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 12.489 22.662 12.019 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 12.909 23.402 13.279 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -4.537 14.500 24.233 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -3.887 15.200 24.303 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -5.127 14.640 24.963 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 5.549 0.259 9.303 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 4.869 0.859 9.623 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 5.479 0.309 8.353 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 7.383 13.268 17.761 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 7.723 14.158 17.771 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 8.133 12.718 17.541 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 24.560 -21.783 -17.673 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 24.850 -21.063 -18.233 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 24.920 -22.563 -18.093 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -17.553 -6.393 -8.510 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -18.153 -5.683 -8.720 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -17.943 -6.823 -7.750 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -18.761 10.180 -22.255 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -19.091 11.000 -21.875 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -17.941 10.430 -22.685 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 -18.075 0.421 -8.899 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 -17.485 0.291 -8.149 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 -18.605 -0.379 -8.919 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 14.950 5.585 -13.054 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 14.300 5.005 -12.664 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 15.460 5.015 -13.634 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -8.801 -13.430 6.729 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -8.861 -13.080 7.619 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -8.741 -12.660 6.169 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -2.511 -17.110 16.243 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -1.701 -17.420 15.823 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -2.871 -17.900 16.663 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 -24.665 -22.911 7.695 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 -24.745 -22.791 6.745 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 -24.615 -23.861 7.815 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 23.354 18.645 -19.315 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 22.884 18.785 -18.485 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 23.964 17.935 -19.115 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 -8.804 19.581 12.522 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 -9.504 18.991 12.232 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 -9.234 20.421 12.662 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 -2.014 2.060 15.295 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 -2.144 1.150 15.055 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 -1.224 2.060 15.835 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 22.638 21.143 19.142 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 23.588 21.113 18.992 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 22.418 22.073 19.062 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 -15.379 -1.177 -15.839 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 -15.809 -1.967 -16.169 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 -14.519 -1.187 -16.259 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -5.936 -3.377 24.429 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -5.096 -3.827 24.269 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -6.586 -3.937 23.989 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 -18.954 -1.448 -21.066 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 -18.734 -2.208 -20.516 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 -18.184 -1.308 -21.616 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 -11.377 -7.350 9.995 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 -11.187 -6.860 10.795 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 -10.777 -8.100 10.025 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -23.877 6.023 0.754 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -23.047 5.653 0.444 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -23.657 6.913 1.024 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -19.189 -14.744 1.162 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -19.769 -15.444 0.852 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -19.469 -14.574 2.062 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -2.117 19.398 -3.524 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -2.587 19.008 -2.784 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -1.437 19.948 -3.114 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 19.186 -15.201 7.549 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 19.906 -14.591 7.409 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 19.596 -16.061 7.529 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 0.385 24.852 -22.214 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 0.465 23.952 -21.874 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 1.045 25.342 -21.734 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 2.334 -15.286 2.011 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 1.974 -16.116 1.681 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 1.934 -15.186 2.871 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -2.974 -2.153 5.809 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -2.224 -2.753 5.799 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -3.274 -2.133 4.909 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -24.955 -19.568 22.218 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -25.565 -20.218 22.568 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -24.195 -19.608 22.798 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 18.704 25.145 22.661 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 18.794 24.225 22.391 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 17.964 25.135 23.281 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 23.608 19.633 -12.245 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 24.558 19.593 -12.185 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 23.418 20.573 -12.315 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 9.665 18.030 22.304 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 8.705 18.080 22.234 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 9.935 17.580 21.504 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 8.908 -7.517 -23.638 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 9.398 -7.497 -24.458 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 9.538 -7.217 -22.978 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 23.056 19.972 15.362 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 23.956 20.022 15.062 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 23.076 19.342 16.082 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 12.345 20.340 -4.567 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 12.375 19.610 -5.187 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 13.035 20.150 -3.927 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 -18.195 14.804 11.769 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 -17.955 14.104 12.379 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 -19.155 14.834 11.809 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 10.108 20.075 -23.594 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 10.608 20.865 -23.804 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 9.328 20.125 -24.134 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -24.093 -20.782 -19.290 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -23.613 -20.502 -18.520 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -23.983 -21.732 -19.320 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 19.498 -11.527 22.387 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 19.658 -12.397 22.757 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 19.198 -10.997 23.117 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 8.063 -23.946 18.451 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 8.083 -23.106 18.911 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 8.893 -24.366 18.681 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 -6.660 -13.592 15.689 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 -6.020 -13.292 15.049 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 -7.400 -13.002 15.599 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 -16.009 21.151 -10.235 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 -16.889 20.821 -10.035 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 -15.649 21.391 -9.375 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 -10.291 13.197 12.961 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 -9.531 13.467 13.461 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 -10.661 14.017 12.621 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 -12.141 20.220 14.331 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 -12.121 20.220 15.291 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 -13.071 20.270 14.111 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 -17.665 20.355 -3.126 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 -17.625 20.235 -4.076 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 -16.825 20.765 -2.906 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -6.543 -4.560 -20.546 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -5.603 -4.350 -20.496 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -6.933 -4.040 -19.846 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 24.895 1.508 -22.063 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 25.405 2.298 -21.883 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 24.095 1.628 -21.563 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -12.094 -20.138 1.559 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -13.024 -20.058 1.389 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -11.974 -19.768 2.439 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 2.723 24.148 -7.595 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 2.743 25.068 -7.325 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 1.803 23.968 -7.765 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -2.706 4.373 -17.078 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -2.846 3.423 -17.088 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -1.976 4.513 -17.678 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 21.398 11.857 -19.763 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 21.018 12.267 -18.983 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 21.048 10.967 -19.773 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -23.921 15.449 -10.027 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -24.671 15.549 -9.437 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -23.191 15.849 -9.547 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 -15.961 14.435 -18.878 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 -15.021 14.285 -18.948 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 -16.311 13.605 -18.548 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 -0.957 -5.425 -12.790 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 -0.687 -4.605 -13.200 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 -0.287 -6.065 -13.050 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -6.169 -14.933 -24.353 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -6.649 -14.193 -24.723 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -5.529 -15.163 -25.023 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -23.725 -11.110 3.135 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -23.525 -11.610 2.345 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -24.095 -11.740 3.745 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -0.496 15.564 -11.919 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -1.346 15.544 -11.479 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 0.054 16.114 -11.359 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 4.589 7.107 -20.613 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 3.989 7.787 -20.303 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 5.329 7.597 -20.973 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 6.446 -1.928 -19.948 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 7.166 -1.318 -20.088 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 6.616 -2.318 -19.078 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 8.754 -8.544 17.112 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 8.044 -8.394 16.482 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 8.924 -9.484 17.072 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 -15.716 5.135 19.031 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 -15.416 5.535 18.221 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 -15.846 5.875 19.631 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 5.330 -24.875 13.139 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 5.790 -25.095 13.949 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 5.130 -25.725 12.749 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 4.566 5.377 -7.720 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 4.346 4.497 -7.400 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.826 5.617 -8.270 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -7.721 -4.209 20.689 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -8.671 -4.149 20.599 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -7.571 -4.179 21.639 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 19.799 -18.077 5.892 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 19.599 -18.967 6.182 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 19.039 -17.827 5.372 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 23.875 4.000 -12.908 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 23.785 4.880 -12.558 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 23.995 3.440 -12.138 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 17.485 -3.256 3.788 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 16.885 -2.536 3.598 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 17.035 -3.766 4.458 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 15.634 5.609 17.103 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 14.794 5.349 16.733 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 16.174 5.839 16.343 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 25.035 9.228 -21.937 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 24.155 8.928 -22.147 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 24.905 9.888 -21.257 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 -14.989 -14.042 -6.641 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 -14.469 -13.312 -6.971 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 -15.869 -13.682 -6.551 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 -3.506 -15.757 -15.065 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 -2.716 -16.297 -15.115 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 -4.166 -16.337 -14.675 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 17.067 -7.384 10.861 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 17.287 -8.264 10.561 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 17.717 -7.194 11.541 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -5.120 -7.081 -4.963 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -4.610 -6.481 -5.493 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -4.740 -7.941 -5.143 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -22.910 19.231 16.385 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -22.250 19.231 15.695 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -22.440 18.911 17.155 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 8.458 -11.062 -5.219 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 7.758 -10.552 -5.629 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 8.358 -10.912 -4.279 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 21.851 -22.341 -19.371 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 22.781 -22.371 -19.161 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 21.441 -22.921 -18.721 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 -17.980 3.190 18.399 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 -18.760 3.740 18.479 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 -17.250 3.770 18.649 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 12.274 5.680 23.826 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 12.214 5.090 23.076 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 11.374 5.960 23.986 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -10.004 -21.798 -22.834 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -10.934 -21.798 -23.024 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -9.954 -21.758 -21.874 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -14.375 15.509 -8.162 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -13.485 15.409 -7.832 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -14.865 14.789 -7.752 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 0.051 4.463 -14.384 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 0.601 3.693 -14.224 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -0.039 4.503 -15.334 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 1.019 0.663 19.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 0.919 1.553 19.771 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 0.309 0.573 18.791 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 17.561 14.442 -18.741 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 16.751 14.942 -18.841 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 18.131 15.012 -18.231 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 9.591 -1.851 -1.488 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 9.531 -2.631 -0.938 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 10.461 -1.481 -1.308 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 19.703 -0.765 -3.943 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 19.313 -1.175 -3.173 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 20.133 0.015 -3.613 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -23.879 7.922 23.809 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -23.479 7.052 23.849 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -23.989 8.182 24.719 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -10.745 17.885 -5.572 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -11.465 17.475 -5.082 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -9.955 17.625 -5.092 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -8.054 4.400 -14.243 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -8.684 4.680 -13.583 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -7.384 5.080 -14.243 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 -11.627 -13.231 8.112 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 -12.317 -13.661 8.612 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 -10.847 -13.761 8.252 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -8.677 -18.850 -0.819 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -7.997 -19.270 -0.289 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -9.497 -19.270 -0.539 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -3.734 -12.971 -4.178 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -3.524 -12.331 -3.498 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -2.884 -13.271 -4.488 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 -18.175 19.668 1.592 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 -17.285 19.348 1.732 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 -18.235 19.818 0.652 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 13.734 2.174 13.993 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 14.514 1.924 14.493 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 13.174 2.604 14.633 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -5.266 19.307 4.472 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -4.766 19.417 3.662 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -5.376 18.367 4.552 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -15.949 1.498 -23.478 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -16.579 1.308 -22.778 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -16.269 0.998 -24.228 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 14.618 -8.067 20.419 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 15.408 -7.787 20.879 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 14.028 -7.317 20.489 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -16.417 -1.249 -21.910 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -16.297 -1.679 -22.760 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -15.747 -1.629 -21.350 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 2.957 -15.915 19.223 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 3.877 -15.875 19.493 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 2.637 -16.745 19.573 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 -10.462 16.824 -11.641 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 -10.282 17.374 -12.401 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 -9.732 16.214 -11.611 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 23.231 16.440 2.015 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 23.871 15.900 2.485 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 23.531 16.450 1.105 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 18.471 1.277 -5.286 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 17.591 1.157 -5.656 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 18.731 0.397 -5.006 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 9.647 -7.590 -17.361 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 10.017 -6.970 -16.721 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 9.707 -8.440 -16.931 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 17.226 3.342 17.036 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 16.966 4.262 16.976 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 17.666 3.272 17.886 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -6.063 -5.014 5.623 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -5.123 -5.184 5.693 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -6.353 -5.544 4.883 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 -22.496 -20.247 -16.844 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 -21.956 -20.737 -17.464 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 -22.576 -20.827 -16.084 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 11.087 -20.020 3.784 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 11.157 -19.560 2.944 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 11.517 -20.860 3.634 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -14.153 10.584 -16.638 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -14.463 10.794 -15.758 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -14.943 10.334 -17.118 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 2.050 -1.600 11.916 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 1.770 -1.820 11.026 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 2.060 -0.650 11.936 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 10.824 -22.150 16.723 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 10.324 -21.950 17.513 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 11.524 -22.730 17.023 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 17.616 24.581 15.991 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 18.426 24.071 15.891 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 16.926 23.921 16.091 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 -8.854 -12.520 9.546 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 -8.674 -13.180 10.226 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 -9.424 -11.890 9.986 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 0.565 -20.057 -22.979 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 0.085 -19.917 -22.159 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 1.485 -20.067 -22.719 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 11.971 -6.075 10.810 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 12.921 -5.955 10.770 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 11.861 -7.005 10.990 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 -18.419 15.932 -7.989 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 -18.249 15.262 -8.649 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 -17.869 16.672 -8.229 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 17.057 -20.005 -2.991 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 16.267 -19.475 -3.091 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 16.727 -20.885 -2.781 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 -19.606 14.669 -5.937 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 -18.986 14.999 -6.587 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 -19.686 13.739 -6.137 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 -19.897 -19.625 15.722 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 -19.237 -20.175 16.152 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 -20.317 -19.155 16.442 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 9.984 -20.363 -19.980 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 9.734 -19.663 -20.590 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 9.254 -20.973 -20.000 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -3.755 19.738 14.243 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -4.015 19.348 15.073 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -4.565 19.808 13.743 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 16.036 13.595 -3.155 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 15.356 13.635 -3.825 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 16.306 14.505 -3.035 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -17.696 -12.971 -0.859 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -17.636 -12.271 -0.209 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -18.436 -13.501 -0.569 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 13.250 3.869 -17.598 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 13.430 4.809 -17.648 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 12.530 3.729 -18.208 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 7.295 -4.635 -2.002 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 7.115 -3.705 -2.082 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 6.445 -5.025 -1.792 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 9.545 -10.596 -18.611 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 9.945 -11.086 -19.321 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 8.725 -11.056 -18.431 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -13.424 -5.364 -7.701 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -14.014 -5.954 -8.171 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -13.664 -5.454 -6.781 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 1.467 -13.168 -2.947 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 1.407 -13.688 -2.137 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 1.647 -12.278 -2.647 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 -19.207 21.694 3.096 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 -18.877 20.964 2.576 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 -18.497 22.334 3.086 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 11.494 -12.926 17.442 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 12.064 -13.576 17.042 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 12.034 -12.146 17.522 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 11.051 24.105 -15.900 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 10.121 24.065 -16.130 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 11.081 24.625 -15.100 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -2.905 -13.477 -17.898 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.245 -14.207 -17.388 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -2.225 -13.087 -17.348 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -18.993 -19.675 20.781 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -18.843 -20.505 21.211 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -18.913 -19.025 21.481 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 -14.549 -4.739 14.620 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 -15.359 -4.719 14.120 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 -13.869 -4.479 14.000 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 12.995 9.313 -0.831 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 12.125 9.593 -1.111 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 12.915 8.363 -0.721 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 2.298 -8.720 -11.591 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 3.168 -8.470 -11.291 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 1.808 -8.920 -10.791 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 0.117 -8.759 -2.205 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 -0.613 -8.409 -2.715 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 0.737 -9.069 -2.855 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 2.364 -8.800 10.821 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 2.444 -9.710 10.551 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 1.624 -8.470 10.311 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 14.623 -10.515 9.539 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 15.473 -10.465 9.089 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 14.083 -11.065 8.979 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -12.685 16.449 24.512 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -12.405 16.919 23.722 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -13.355 15.829 24.192 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 11.935 -22.123 2.708 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 11.625 -22.663 1.978 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 12.005 -22.733 3.438 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 6.978 -21.606 -23.818 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 6.688 -20.976 -24.478 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 7.358 -21.066 -23.128 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 18.846 3.997 12.450 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 19.796 4.047 12.490 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 18.556 4.887 12.260 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -8.074 17.118 -13.534 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -8.594 17.178 -14.344 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -7.304 16.608 -13.784 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 2.075 10.708 14.956 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 2.955 10.728 15.326 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 2.175 10.298 14.096 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 24.193 -15.965 -23.572 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 23.913 -15.815 -24.472 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 23.423 -16.325 -23.142 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -2.313 4.640 18.650 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -2.693 4.990 17.850 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -2.343 3.690 18.550 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 4.758 12.688 18.950 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 4.428 13.578 19.110 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 5.648 12.828 18.620 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -10.607 24.051 -1.556 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -10.457 23.521 -0.776 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -10.927 24.891 -1.216 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 6.145 -17.796 22.926 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 5.245 -17.826 22.616 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 6.085 -17.426 23.806 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 6.821 -24.514 16.159 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 7.131 -24.244 17.019 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 7.171 -23.854 15.559 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 18.375 22.613 22.225 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 17.985 22.413 23.075 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 19.185 22.093 22.205 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 20.478 17.414 -13.268 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 21.368 17.304 -13.608 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 19.968 17.694 -14.028 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 -23.963 0.592 -10.268 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 -24.263 0.042 -9.548 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 -24.603 0.432 -10.968 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -5.915 4.275 2.482 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -4.975 4.405 2.612 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -6.315 5.085 2.802 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 -24.473 -20.209 0.891 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 -23.763 -20.029 0.271 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 -24.213 -21.019 1.321 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 -0.753 15.575 0.316 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 -1.553 15.065 0.396 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 -0.543 15.555 -0.624 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 23.193 -15.437 -1.924 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 23.373 -15.977 -1.164 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 23.703 -15.837 -2.634 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 5.954 -17.546 14.512 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 5.064 -17.206 14.492 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 6.504 -16.796 14.742 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 -5.206 22.569 18.311 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 -4.536 21.959 18.621 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 -5.846 22.609 19.021 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -20.389 17.844 -20.738 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -19.759 18.334 -21.268 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -20.039 17.914 -19.838 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 -7.870 -17.263 -21.782 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 -7.370 -16.493 -22.042 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -7.270 -17.753 -21.222 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 11.318 12.215 2.502 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 10.848 11.865 1.742 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 11.328 13.155 2.352 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -19.245 5.735 12.051 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -19.715 6.455 11.621 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -18.575 6.165 12.581 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -15.664 -23.271 -9.147 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -14.804 -23.651 -8.957 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -16.204 -23.551 -8.417 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 4.273 -3.518 -12.229 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 4.223 -4.368 -11.819 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 5.083 -3.128 -11.899 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 7.705 -20.871 20.777 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 7.025 -20.381 21.237 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 8.215 -20.201 20.317 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 5.146 24.608 17.511 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 4.806 24.018 16.831 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 5.936 24.988 17.121 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 -9.076 -8.098 -17.073 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 -9.536 -8.678 -16.463 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 -8.826 -7.338 -16.533 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 -9.957 17.250 -15.502 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 -10.397 18.050 -15.762 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 -9.877 16.740 -16.322 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -15.404 -12.337 4.776 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -15.064 -13.087 4.276 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -16.314 -12.267 4.506 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 15.891 -15.792 -7.405 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 15.381 -15.692 -8.205 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 15.381 -15.322 -6.745 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -11.723 -17.494 3.051 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -12.163 -17.704 2.221 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -12.403 -17.604 3.711 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 2.036 -5.092 22.149 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 2.386 -4.282 22.529 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 2.746 -5.732 22.259 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 -6.360 -13.728 -13.399 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 -5.770 -13.558 -12.659 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 -6.340 -14.678 -13.509 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 -0.417 19.131 7.865 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 0.003 18.431 7.355 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 0.143 19.891 7.725 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 -20.654 22.220 -22.944 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 -20.644 22.320 -23.894 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 -21.044 23.040 -22.624 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 23.640 5.702 -15.949 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 22.700 5.752 -15.769 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 23.760 6.212 -16.749 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 14.346 -13.449 17.859 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 13.806 -13.309 18.629 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 15.046 -12.799 17.929 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 7.097 19.104 -17.948 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 6.917 18.604 -18.738 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 6.447 19.804 -17.948 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -0.666 -14.858 -9.069 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -1.546 -14.628 -9.379 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -0.726 -15.788 -8.859 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 14.091 -21.175 0.732 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 14.991 -21.005 0.992 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 13.641 -21.405 1.542 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -11.174 -19.335 -7.721 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -10.804 -20.015 -7.161 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -11.814 -19.795 -8.271 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -24.265 17.779 1.660 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -23.395 17.379 1.710 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -24.865 17.049 1.760 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -12.113 -13.138 16.871 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -12.543 -12.278 16.871 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -12.833 -13.768 16.781 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 13.321 -10.399 18.256 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 13.091 -11.059 18.906 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 12.731 -9.659 18.436 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 1.813 9.146 -11.901 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.453 8.726 -11.311 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 2.293 9.876 -12.281 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 -24.687 -18.226 -23.075 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 -25.267 -17.566 -23.455 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 -24.167 -17.736 -22.435 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 -7.873 7.510 5.412 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 -8.793 7.490 5.682 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 -7.693 8.430 5.212 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 15.963 -24.560 20.479 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 15.633 -24.040 19.739 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 16.893 -24.680 20.289 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -17.653 -11.235 -13.414 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -18.463 -10.855 -13.054 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -17.133 -11.465 -12.644 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -20.429 24.671 -11.150 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -19.649 24.281 -11.540 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -20.109 25.101 -10.350 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 6.658 -9.821 20.222 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 6.868 -10.761 20.152 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 7.318 -9.471 20.812 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -13.617 -19.352 -22.527 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -14.417 -19.602 -22.067 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -12.907 -19.642 -21.957 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 1.955 1.543 11.921 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 2.065 1.993 12.761 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 1.125 1.873 11.581 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -12.102 -24.871 0.221 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -12.552 -24.151 -0.219 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -11.472 -24.431 0.811 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -1.859 23.620 -7.071 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -1.149 24.210 -7.331 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -2.159 23.230 -7.891 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 7.537 0.343 -17.780 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 7.627 0.953 -18.520 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 8.317 0.493 -17.250 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -14.848 15.993 -23.658 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -14.257 16.013 -22.908 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -15.598 15.483 -23.348 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 -2.507 10.510 -13.064 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 -1.977 9.960 -12.494 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 -1.927 11.240 -13.294 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 -10.692 -20.145 3.779 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 -10.612 -19.355 4.309 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 -9.952 -20.095 3.169 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 1.891 -6.830 14.117 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 0.981 -6.740 13.827 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 1.911 -6.410 14.977 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -12.872 -23.711 -11.710 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -12.672 -23.111 -11.000 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -12.092 -24.271 -11.790 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.647 5.682 -0.285 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 20.727 5.522 -0.485 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.747 6.632 -0.355 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 18.189 -20.935 3.123 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 17.269 -20.915 3.393 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 18.169 -20.815 2.183 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -10.172 20.495 21.175 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -9.812 19.755 21.665 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -9.822 20.385 20.295 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 8.839 5.547 -1.157 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 8.469 4.877 -1.737 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 8.689 6.377 -1.617 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 3.904 -18.335 -18.051 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 3.974 -17.455 -18.411 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 3.034 -18.635 -18.301 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 18.748 -14.514 13.487 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 18.488 -15.284 13.987 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 18.018 -14.364 12.887 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 -18.445 -11.441 -23.805 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 -17.585 -11.531 -24.205 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 -18.495 -10.511 -23.555 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 10.194 -11.662 -15.476 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 9.704 -11.132 -16.106 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 9.524 -11.972 -14.866 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 -12.199 7.924 10.735 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 -12.999 8.394 10.965 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 -12.359 7.024 10.995 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -17.517 -0.643 -18.538 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -17.947 -0.623 -19.398 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -18.177 -1.023 -17.948 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.587 19.996 11.541 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.437 20.396 10.681 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.337 20.466 11.891 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 2.166 -1.502 23.994 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 2.736 -2.042 23.454 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 1.926 -0.762 23.434 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 -8.714 24.118 3.297 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 -8.514 23.208 3.537 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 -9.544 24.298 3.727 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 13.815 17.731 -9.266 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 13.875 18.511 -9.826 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 12.885 17.651 -9.066 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -0.907 -11.737 8.309 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -1.317 -10.907 8.049 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 0.003 -11.507 8.489 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -6.810 19.892 -7.155 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -6.710 20.512 -7.885 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -7.720 20.002 -6.865 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 -2.454 -22.580 1.969 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 -2.564 -22.130 2.799 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 -2.044 -21.930 1.399 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 -23.817 8.709 11.666 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 -23.417 9.249 10.976 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 -23.107 8.159 11.986 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 -18.554 16.955 -23.788 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 -18.464 16.355 -23.048 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 -17.814 16.755 -24.358 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 0.413 17.701 21.398 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 0.823 17.191 20.698 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 0.593 18.611 21.158 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 16.367 -18.175 6.120 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 16.627 -17.415 6.640 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 16.747 -18.925 6.580 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 -9.997 -21.929 -8.169 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 -9.787 -21.459 -7.359 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 -9.277 -22.559 -8.269 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 10.520 -3.719 21.846 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 10.240 -3.299 22.666 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 10.490 -3.029 21.196 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -6.881 -16.303 16.698 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -6.481 -15.433 16.628 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -7.781 -16.123 16.948 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 16.064 -24.217 -11.370 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 16.984 -24.067 -11.170 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 15.944 -23.887 -12.260 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 -2.330 -0.266 -4.708 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 -2.990 0.114 -5.288 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 -1.590 -0.466 -5.278 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -19.450 15.876 -13.214 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -19.080 16.726 -12.974 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -19.760 15.996 -14.114 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -11.693 -1.797 3.151 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -11.763 -2.417 2.431 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -10.783 -1.497 3.121 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -10.582 -3.395 -12.458 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -11.122 -3.445 -11.668 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -9.772 -2.975 -12.168 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 23.475 2.367 8.177 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 23.925 1.787 7.557 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 24.125 2.507 8.867 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 18.403 4.872 22.189 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 17.913 5.422 22.809 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 19.323 5.082 22.359 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -3.922 -16.101 -10.141 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -4.762 -16.551 -10.211 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -3.312 -16.781 -9.871 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 -24.531 2.123 22.616 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 -25.171 2.823 22.476 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 -23.911 2.483 23.246 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 12.248 -3.516 12.649 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 11.948 -4.256 12.129 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 11.928 -2.746 12.169 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 6.376 -20.776 5.065 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 7.266 -21.036 5.295 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 5.866 -20.926 5.865 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 -14.243 8.061 23.295 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 -13.463 7.751 23.745 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 -13.933 8.341 22.425 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 12.474 0.251 -18.446 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 12.734 -0.559 -18.866 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 13.064 0.921 -18.786 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 1.951 6.535 1.283 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 2.261 6.305 0.403 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 2.591 6.125 1.873 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 -18.173 -4.394 -6.528 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 -17.753 -4.334 -5.668 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 -18.863 -5.044 -6.418 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 17.326 23.490 -15.211 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 16.616 23.380 -14.571 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 17.746 22.630 -15.241 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -10.504 -16.895 -22.395 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -9.564 -16.855 -22.205 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -10.744 -15.995 -22.625 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 1.185 -14.451 -0.499 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 1.385 -14.641 0.421 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 0.325 -14.041 -0.469 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 -3.114 -9.764 -19.271 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 -3.204 -9.224 -20.061 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 -2.414 -10.384 -19.491 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -9.486 16.660 3.307 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -10.246 16.200 2.947 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -9.086 17.080 2.547 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 11.949 17.575 16.076 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 11.019 17.405 16.206 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 12.039 18.525 16.166 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 11.975 -6.463 -2.328 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 12.085 -7.413 -2.318 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 11.405 -6.283 -1.578 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 -2.745 -0.222 -24.771 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 -2.825 0.528 -25.371 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 -3.645 -0.522 -24.651 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 -8.952 -19.609 16.549 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 -9.662 -20.239 16.679 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 -9.332 -18.769 16.799 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -24.032 -21.747 -6.363 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -23.932 -22.657 -6.673 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -23.502 -21.237 -6.973 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 -1.703 5.761 11.702 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 -1.643 6.301 12.492 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 -1.563 4.861 12.012 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 8.123 0.857 -20.622 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 7.693 0.797 -21.482 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 8.913 0.337 -20.722 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 7.121 -10.075 0.289 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 7.721 -10.825 0.239 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 6.831 -10.055 1.199 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 -1.135 -15.319 -22.863 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 -2.005 -15.719 -22.883 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 -1.135 -14.709 -23.603 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -6.786 4.970 23.829 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -5.836 4.930 23.719 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -7.106 5.310 22.999 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 -3.476 10.101 13.929 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 -3.046 10.721 13.339 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 -2.886 10.041 14.679 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 -1.943 23.875 19.068 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 -1.273 23.455 19.608 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 -2.773 23.605 19.468 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -4.145 -21.758 -13.034 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -3.705 -22.558 -12.734 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -3.575 -21.428 -13.734 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 20.310 13.540 -8.431 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 19.940 13.070 -7.681 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 20.330 14.450 -8.151 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 20.384 5.198 -9.811 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 21.304 5.178 -10.081 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 20.184 6.118 -9.691 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.285 -21.077 11.655 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.845 -20.917 12.415 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 5.775 -21.677 11.105 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 24.860 -10.216 -18.821 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 24.100 -9.696 -19.121 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 24.980 -10.876 -19.511 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 13.045 22.142 -16.201 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 12.205 22.572 -16.361 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 13.345 22.502 -15.361 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 15.195 10.206 15.634 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 14.405 9.676 15.594 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 15.585 10.126 14.764 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -20.525 13.491 13.462 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -20.285 12.581 13.632 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -21.395 13.591 13.862 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -23.466 -3.940 -10.850 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -23.666 -3.340 -11.570 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -23.176 -4.740 -11.290 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -20.005 -2.635 -14.925 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -19.585 -2.005 -14.345 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -20.575 -3.155 -14.355 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 16.804 17.369 8.592 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 17.364 17.779 7.942 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 17.184 17.629 9.432 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -13.955 -22.377 -0.538 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -14.685 -22.467 0.072 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -14.225 -21.697 -1.148 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 7.333 23.933 -21.333 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 7.133 23.603 -20.463 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 7.203 24.873 -21.273 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 -11.972 -17.022 -2.101 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 -12.472 -17.432 -2.801 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 -11.132 -16.802 -2.501 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 5.909 13.487 15.000 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 5.639 12.907 15.720 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 6.809 13.737 15.230 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -9.061 13.329 3.475 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -9.781 13.789 3.045 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -8.331 13.959 3.455 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 -2.757 -19.585 17.672 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 -1.877 -19.845 17.402 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 -2.657 -19.285 18.572 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -18.212 -17.368 -15.885 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -18.492 -18.078 -15.305 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -17.782 -16.738 -15.295 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 2.034 5.670 20.037 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.234 5.870 19.567 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 1.764 5.560 20.947 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 -8.369 -22.007 2.631 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 -8.319 -22.317 3.531 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 -7.679 -21.347 2.561 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 16.296 -13.345 -16.660 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 16.846 -12.685 -16.240 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 16.906 -13.985 -17.030 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 -7.506 16.207 -1.836 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 -8.076 16.947 -2.046 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 -6.776 16.297 -2.446 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -22.325 -5.610 11.361 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -22.865 -5.970 10.661 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -22.945 -5.280 12.001 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -13.553 1.441 -6.816 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -13.393 0.871 -6.056 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -13.183 2.281 -6.566 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 -8.512 6.551 18.331 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 -9.272 6.821 17.821 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 -8.362 5.651 18.081 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 -9.219 6.298 -20.214 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 -8.289 6.528 -20.184 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 -9.299 5.588 -19.584 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 -22.160 -15.213 -13.693 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 -22.000 -14.323 -13.393 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 -22.020 -15.173 -14.643 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -19.629 8.112 7.302 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -19.279 8.722 6.642 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -20.519 8.422 7.462 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -6.615 -13.932 -9.141 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -5.795 -14.292 -9.481 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -6.405 -13.032 -8.881 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -1.709 -19.768 -13.584 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -0.989 -19.378 -13.094 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -1.399 -19.798 -14.484 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 21.838 25.387 -21.728 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 21.128 25.767 -21.228 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 21.498 24.557 -22.048 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 -17.471 23.449 19.086 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 -16.651 23.149 18.696 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 -17.851 24.029 18.416 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 13.983 12.898 -5.317 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 13.243 12.418 -5.687 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 14.303 12.338 -4.607 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -8.269 -15.081 10.704 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -7.519 -15.501 11.124 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -8.939 -15.061 11.394 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 -4.285 -24.819 1.997 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 -5.105 -24.349 1.907 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 -3.625 -24.209 1.667 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 1.191 -20.387 -13.975 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 1.301 -19.507 -14.355 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 1.621 -20.327 -13.115 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -24.267 15.090 2.372 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -23.457 15.230 2.852 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -24.307 14.140 2.242 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -14.497 23.947 -3.414 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -15.017 24.497 -4.004 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -14.497 24.427 -2.584 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 -2.442 -23.890 -17.020 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 -1.712 -23.530 -16.510 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 -3.012 -24.290 -16.360 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 15.124 -24.026 0.011 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 14.274 -24.346 0.311 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 15.674 -24.036 0.791 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 -21.899 16.780 4.560 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 -21.769 17.620 4.110 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 -21.809 16.990 5.490 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 2.816 11.492 -24.241 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 2.176 12.172 -24.451 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 2.946 11.022 -25.061 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 -20.105 19.805 -14.873 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 -19.365 20.335 -14.583 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 -19.715 19.165 -15.483 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 -11.736 -4.672 -21.811 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 -12.186 -3.822 -21.821 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 -10.906 -4.492 -21.361 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 -4.627 17.899 -6.623 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 -5.197 18.609 -6.923 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 -3.757 18.159 -6.913 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 24.748 4.802 13.101 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 24.208 5.382 13.651 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 24.128 4.172 12.731 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 -8.409 -15.020 20.621 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 -8.289 -14.930 19.671 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 -7.549 -14.840 21.001 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 5.157 -20.624 22.272 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 4.557 -19.914 22.492 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 4.587 -21.384 22.142 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 13.671 -8.233 10.811 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 14.601 -8.083 10.691 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 13.461 -8.943 10.201 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 -24.522 -6.913 8.321 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 -24.732 -6.583 7.451 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 -23.632 -6.603 8.491 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 1.161 -9.900 -24.695 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 0.511 -9.230 -24.915 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 1.591 -9.560 -23.905 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 19.096 19.830 -0.578 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 19.516 19.210 0.022 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 18.866 20.580 -0.028 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 -1.113 -21.735 -21.354 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 -1.023 -21.655 -22.304 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 -1.183 -22.685 -21.204 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 18.005 1.775 10.076 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 18.605 1.285 9.516 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 18.565 2.205 10.726 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -16.299 -13.826 23.696 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -15.889 -14.676 23.496 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -15.999 -13.636 24.586 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 16.828 -5.360 6.221 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 16.598 -5.850 7.011 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 17.068 -6.030 5.581 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 1.324 13.380 -11.369 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 1.024 14.210 -11.729 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 2.264 13.510 -11.229 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -22.449 16.022 -17.971 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -21.589 16.422 -18.081 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -22.929 16.622 -17.401 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -22.466 -0.613 7.647 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -21.886 -0.313 6.937 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -21.956 -1.303 8.087 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 -6.635 -20.005 -12.988 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 -5.945 -20.605 -13.278 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 -6.705 -19.355 -13.688 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 -7.434 -20.070 -22.735 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 -7.704 -19.200 -23.015 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 -6.944 -20.430 -23.475 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 -2.055 -10.941 12.384 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 -1.305 -10.371 12.554 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 -1.785 -11.801 12.704 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -12.259 -21.395 -19.478 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -12.289 -20.475 -19.228 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -12.529 -21.865 -18.678 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -14.274 13.038 -23.005 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -13.824 12.228 -23.225 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -14.094 13.628 -23.735 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -20.655 18.098 -24.950 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -20.965 18.558 -24.170 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -19.965 17.518 -24.640 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 -0.375 -21.465 4.566 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 -0.915 -22.215 4.836 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 0.415 -21.865 4.216 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 13.997 3.422 3.599 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 14.357 3.522 2.719 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 14.757 3.322 4.159 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 11.120 -17.221 -9.455 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 10.640 -18.041 -9.495 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 12.040 -17.481 -9.385 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 4.303 -17.102 -10.637 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 5.043 -17.102 -11.247 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 4.443 -16.312 -10.107 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 -1.096 9.381 -10.948 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 -0.336 9.121 -11.468 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 -0.876 9.141 -10.048 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -1.529 -2.790 -24.295 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -1.649 -1.860 -24.485 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -0.609 -2.960 -24.495 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 -22.314 -10.696 17.811 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 -22.814 -10.226 17.141 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 -21.834 -10.006 18.271 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 -11.965 -0.910 -12.491 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 -12.545 -1.160 -11.771 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 -11.515 -1.730 -12.721 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 11.427 6.427 -7.609 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 10.517 6.507 -7.309 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 11.827 7.257 -7.369 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 9.230 15.765 17.262 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 8.790 16.405 16.702 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 9.870 15.345 16.692 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -23.662 7.983 18.415 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -22.872 8.063 18.945 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -23.362 7.513 17.625 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 14.545 -11.927 -23.023 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 14.175 -12.807 -22.933 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 14.655 -11.807 -23.963 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -19.069 -4.671 -1.417 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -19.669 -4.151 -0.887 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -18.959 -5.491 -0.917 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 -14.194 22.705 22.742 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 -14.794 23.445 22.752 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 -13.884 22.625 23.642 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 -9.433 -20.550 8.375 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 -9.673 -19.850 7.765 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 -9.033 -20.100 9.115 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 -4.066 -9.270 18.620 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 -3.266 -9.660 18.260 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 -3.776 -8.790 19.400 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 23.013 -6.499 -0.878 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 23.663 -5.819 -0.698 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 23.053 -7.079 -0.118 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 21.661 0.186 6.097 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 21.661 -0.324 6.907 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 20.821 0.656 6.107 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 9.823 6.482 13.455 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 9.403 5.872 14.065 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 9.303 7.292 13.545 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 7.823 -3.272 14.162 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 7.143 -2.972 14.752 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 8.353 -3.872 14.692 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 -16.907 -16.605 7.151 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 -16.567 -15.915 6.581 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 -16.697 -16.305 8.031 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 23.697 8.062 20.009 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 23.697 9.012 20.099 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 24.027 7.902 19.129 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 -16.784 12.044 -5.295 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -16.564 11.894 -4.375 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 -17.584 11.534 -5.435 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -22.755 13.772 7.933 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -23.345 14.492 7.703 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -22.645 13.842 8.873 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 12.493 -19.485 -2.854 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 12.403 -18.775 -2.224 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 12.143 -20.255 -2.394 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -5.033 -3.922 13.443 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -4.433 -3.402 13.983 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -5.793 -4.072 13.993 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 -6.252 15.159 -14.827 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 -5.312 15.119 -14.617 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 -6.492 14.259 -15.037 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 8.019 -22.400 -12.894 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 8.939 -22.270 -13.134 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 7.709 -23.080 -13.494 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 3.599 -25.025 -22.027 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 4.479 -24.645 -22.067 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 3.089 -24.525 -22.657 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 -17.980 3.589 7.720 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 -17.480 3.309 8.490 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 -17.310 3.819 7.080 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 3.016 23.202 -15.421 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 3.806 23.672 -15.141 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 3.296 22.712 -16.201 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 16.880 16.081 -21.814 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 16.330 16.321 -21.064 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 17.380 16.871 -22.004 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 20.587 -18.935 -10.635 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 21.087 -19.485 -10.025 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 21.267 -18.475 -11.145 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 18.907 -18.749 23.613 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 17.957 -18.879 23.633 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 19.277 -19.629 23.723 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 7.984 -24.472 12.240 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 8.654 -24.062 12.790 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 7.564 -25.122 12.810 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 -12.123 4.021 -12.416 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 -12.873 3.491 -12.146 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 -12.453 4.911 -12.426 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 -23.237 -4.364 -8.203 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 -24.077 -3.914 -8.113 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 -22.907 -4.074 -9.053 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 14.078 8.430 11.075 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 13.338 7.900 11.365 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 14.848 7.970 11.405 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 23.056 10.609 25.102 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 23.486 10.109 24.412 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 22.796 9.949 25.752 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 -14.536 9.678 -6.083 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 -14.066 9.558 -5.253 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 -15.316 10.178 -5.843 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -15.203 17.523 15.195 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -14.413 16.983 15.295 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -15.893 16.903 14.975 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -11.381 5.810 20.859 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -11.331 6.660 21.299 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -12.271 5.520 21.009 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 1.446 -14.744 -10.788 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 0.786 -14.904 -10.118 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 1.016 -14.144 -11.408 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 -20.676 -1.361 20.096 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 -21.096 -0.631 20.556 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 -21.026 -1.311 19.206 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 3.974 23.135 -10.105 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 3.644 23.165 -9.205 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 4.024 24.055 -10.375 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 -22.026 7.387 -12.338 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 -21.096 7.517 -12.108 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 -22.286 8.217 -12.738 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -14.266 -2.645 -24.785 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -14.476 -2.625 -25.725 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -14.096 -3.565 -24.605 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 -11.415 18.995 -1.538 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 -11.355 18.455 -2.318 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 -11.475 18.375 -0.818 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -20.134 -22.982 1.067 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -20.524 -22.712 1.897 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -19.964 -22.162 0.597 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 4.599 -14.529 -11.950 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 3.989 -14.749 -11.250 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 4.209 -14.899 -12.740 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 2.447 0.901 -0.884 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 3.117 1.501 -1.214 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 1.727 1.471 -0.624 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 16.176 -5.249 19.629 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 16.526 -5.029 18.769 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 15.496 -4.589 19.789 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -7.766 21.155 -14.599 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -7.146 21.885 -14.569 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -7.226 20.385 -14.739 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 -2.657 8.033 -6.532 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 -2.217 8.643 -5.932 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 -3.567 8.343 -6.562 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 22.261 24.091 -10.838 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 21.662 24.771 -10.518 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 21.691 23.361 -11.078 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 11.369 2.378 -1.349 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 10.869 2.728 -0.609 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 12.139 2.938 -1.419 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 24.916 24.118 -11.658 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 24.046 24.488 -11.508 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 24.896 23.808 -12.558 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 12.527 -24.585 17.265 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 12.107 -24.995 18.025 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 12.167 -25.065 16.515 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 10.749 8.513 15.652 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 10.719 8.963 16.502 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 9.939 8.783 15.212 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 8.414 -23.996 -18.828 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 8.574 -23.376 -19.538 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 7.464 -24.096 -18.798 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 -18.402 -4.097 4.657 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 -19.232 -4.377 5.037 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 -18.092 -3.407 5.237 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 12.683 6.490 14.568 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 12.013 7.030 14.148 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 13.513 6.900 14.308 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 -13.471 24.067 -22.011 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 -12.911 24.427 -21.321 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 -13.601 23.157 -21.761 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 21.524 2.601 24.067 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 21.084 2.131 23.357 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 21.154 2.231 24.867 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 -17.777 14.872 20.971 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 -16.957 15.112 20.541 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 -17.747 15.302 21.821 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 8.415 16.888 -11.711 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 7.885 16.198 -12.121 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 7.835 17.648 -11.671 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 7.086 4.958 8.010 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 6.586 4.328 7.470 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 6.886 4.708 8.910 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -8.116 1.783 25.261 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -7.666 2.453 24.741 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -8.996 1.733 24.891 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 19.505 -7.758 18.473 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 19.025 -7.788 19.303 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 20.145 -8.458 18.533 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -11.910 14.665 -14.721 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -12.440 15.345 -14.301 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -12.540 14.085 -15.141 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 23.091 -6.486 19.163 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 22.821 -7.356 19.433 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 23.371 -6.066 19.983 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -22.529 6.830 21.289 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -22.649 7.520 21.939 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -21.889 6.230 21.689 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 -10.544 13.781 -22.142 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 -10.934 13.491 -22.962 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 -9.904 14.441 -22.392 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 11.193 18.147 -21.591 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 10.963 19.007 -21.951 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 12.013 17.917 -22.031 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 -7.391 7.249 -10.453 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 -7.011 7.379 -9.583 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 -7.821 8.079 -10.653 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 1.726 -7.731 -17.641 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 0.896 -7.291 -17.831 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 1.746 -7.801 -16.681 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 -5.802 12.361 -15.191 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 -6.392 11.811 -14.671 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 -5.422 11.761 -15.831 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 19.313 6.341 1.653 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 19.793 5.601 2.023 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 19.373 7.031 2.313 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 24.430 -25.243 -19.752 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 25.210 -24.733 -19.522 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 23.720 -24.603 -19.772 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 -1.707 2.110 -10.353 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 -2.267 1.340 -10.443 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 -1.717 2.520 -11.223 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 -23.521 -23.740 10.975 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 -22.821 -23.110 11.125 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 -23.561 -23.840 10.025 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 -18.741 20.945 -21.131 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 -19.011 20.705 -20.251 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -19.541 21.245 -21.561 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 18.320 -5.389 -1.499 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 18.420 -6.119 -2.119 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 17.570 -4.899 -1.829 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 -8.556 -24.502 -19.146 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 -8.236 -23.682 -18.786 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 -8.226 -24.522 -20.046 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -11.137 -18.939 -20.453 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -10.517 -18.469 -21.003 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -11.507 -18.269 -19.883 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 24.670 11.332 4.371 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 24.450 10.412 4.221 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 24.250 11.802 3.661 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -18.172 19.143 13.001 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -18.592 20.003 13.001 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -17.302 19.303 13.351 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 9.597 21.290 22.015 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 9.977 20.480 22.365 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 8.657 21.180 22.165 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -8.394 -23.070 5.061 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -9.274 -23.420 5.171 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -8.234 -22.570 5.861 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 11.277 -21.699 -8.209 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 12.047 -21.259 -7.849 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 11.587 -22.089 -9.029 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -16.997 -6.165 8.869 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -16.557 -5.875 8.059 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -16.287 -6.515 9.399 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -23.331 8.660 0.656 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -22.981 8.320 -0.174 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -22.791 9.430 0.836 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -5.286 22.483 15.504 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -5.616 21.583 15.564 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -5.186 22.763 16.414 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 22.478 -24.349 19.933 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 21.598 -24.639 20.153 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 22.898 -25.129 19.553 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 11.266 12.163 9.652 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 11.876 11.743 10.262 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 10.576 11.513 9.502 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 3.388 13.755 -5.359 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 3.648 13.045 -5.939 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 4.208 14.185 -5.109 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 17.006 -15.991 -24.254 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 17.576 -16.401 -23.604 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 16.646 -16.721 -24.754 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 4.335 24.898 -1.026 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 4.405 24.398 -1.836 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 4.615 24.288 -0.346 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 14.730 7.814 22.313 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 15.270 7.634 23.083 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 14.000 7.194 22.393 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 14.065 14.929 -15.911 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 13.745 14.159 -15.431 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 13.975 15.649 -15.291 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -2.872 24.668 14.612 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -3.822 24.758 14.642 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -2.692 24.358 13.722 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -2.377 21.374 17.409 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -1.907 21.964 17.999 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -2.757 21.954 16.749 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 18.661 -1.757 12.159 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 19.271 -1.057 11.959 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 19.091 -2.547 11.839 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -2.127 16.143 19.736 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -1.627 16.953 19.666 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -2.447 15.973 18.856 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 0.067 8.036 -0.336 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -0.123 8.546 0.454 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -0.743 7.566 -0.526 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 10.616 12.929 -0.496 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 10.966 13.799 -0.696 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 10.576 12.479 -1.346 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 11.913 16.572 -14.823 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 11.643 17.002 -15.633 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 11.113 16.482 -14.313 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 11.771 -1.730 -10.947 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 11.681 -0.780 -10.967 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 12.061 -1.970 -11.827 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 -13.944 19.231 -5.965 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 -14.084 18.761 -5.145 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 -14.544 18.831 -6.595 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 -3.763 -7.053 25.041 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 -3.813 -6.113 25.221 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 -3.563 -7.113 24.111 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 21.813 -5.187 2.156 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 21.743 -4.577 2.886 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 22.003 -4.627 1.396 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 5.258 -6.122 -1.334 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 4.428 -6.142 -0.854 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 5.798 -6.782 -0.904 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 12.676 0.871 -21.712 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 13.066 1.561 -22.252 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 12.766 0.071 -22.242 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 16.728 -19.022 -7.204 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 17.458 -19.272 -7.764 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 16.438 -18.182 -7.564 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 21.098 -18.118 -19.741 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 21.308 -18.278 -18.821 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 20.638 -18.908 -20.031 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 13.731 -12.911 -10.644 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 13.541 -12.001 -10.404 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 14.621 -13.061 -10.324 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 24.261 -7.762 -5.210 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 25.091 -8.222 -5.380 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 23.741 -8.382 -4.700 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 13.630 -14.111 3.399 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 13.040 -14.871 3.399 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 14.370 -14.401 2.869 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -11.566 -12.547 19.700 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -12.086 -12.847 18.950 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.126 -11.757 19.390 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -14.261 -21.321 18.258 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -13.781 -21.831 18.908 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -14.611 -20.571 18.738 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 20.593 -5.322 21.557 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 21.103 -4.582 21.887 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 19.763 -5.272 22.017 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 -18.885 10.059 -18.161 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 -19.105 9.129 -18.231 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 -19.405 10.369 -17.421 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -6.166 -13.245 -20.140 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -5.346 -13.115 -19.660 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -6.046 -12.755 -20.960 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 18.750 -15.851 -11.010 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 18.620 -15.321 -10.230 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 19.560 -16.341 -10.840 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 19.580 -10.584 12.677 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 19.640 -10.944 11.787 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 18.640 -10.514 12.837 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -0.804 -15.003 2.369 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -1.094 -15.123 3.279 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -1.514 -14.513 1.949 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 4.815 15.628 -19.935 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 4.725 14.698 -20.135 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 5.725 15.828 -20.155 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 20.071 8.977 20.653 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 20.171 9.587 21.373 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 20.601 9.347 19.943 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 4.014 -3.895 19.205 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 4.234 -3.475 20.035 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 3.884 -4.815 19.435 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -3.621 -9.465 23.356 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -4.531 -9.455 23.056 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -3.111 -9.655 22.566 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 18.663 -18.253 12.862 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 18.753 -17.483 12.292 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 18.453 -17.893 13.722 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 4.870 -19.430 -22.314 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 4.440 -19.830 -23.054 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 4.160 -19.210 -21.704 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 22.793 -1.673 1.270 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 21.963 -1.643 0.800 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 22.553 -1.903 2.160 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -13.214 -15.305 -4.560 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -13.614 -14.695 -5.190 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -13.774 -16.085 -4.600 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 15.207 -16.184 11.921 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 15.057 -16.054 12.861 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 14.537 -15.634 11.491 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 -0.265 -22.371 -16.137 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 -0.455 -21.491 -15.807 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 0.445 -22.691 -15.577 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 3.138 19.065 18.041 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 2.868 18.865 17.151 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 2.998 18.245 18.521 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 20.691 16.321 13.475 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 20.481 16.691 14.325 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 21.461 15.781 13.635 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 18.364 0.540 -0.525 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 19.224 0.710 -0.925 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 18.244 -0.400 -0.605 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 7.244 -0.127 16.570 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 7.724 -0.867 16.940 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 7.904 0.363 16.080 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.576 -15.865 -2.610 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.146 -16.385 -3.290 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 10.766 -16.485 -1.910 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 21.078 22.520 -2.162 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 20.838 23.330 -1.712 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 22.028 22.450 -2.032 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -14.005 -21.728 -24.336 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -13.585 -20.968 -23.936 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -14.325 -21.408 -25.186 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 5.803 -14.699 -18.160 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 5.703 -15.319 -18.890 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 4.913 -14.429 -17.950 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 23.394 11.103 8.278 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 22.964 11.923 8.528 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 22.764 10.423 8.508 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 11.554 -6.037 8.186 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 11.534 -5.097 7.986 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 11.894 -6.087 9.076 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 -22.499 -19.342 -21.270 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 -23.309 -19.842 -21.160 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 -21.939 -19.622 -20.540 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 6.153 5.890 -25.355 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 6.413 6.770 -25.645 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 6.743 5.690 -24.635 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 3.365 3.948 -16.804 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 4.315 3.828 -16.884 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 3.105 4.378 -17.614 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 3.305 -14.917 -8.644 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 2.655 -14.707 -9.324 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 3.275 -14.157 -8.054 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 19.535 -15.838 17.482 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 19.985 -16.688 17.502 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 19.365 -15.638 18.402 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -23.247 3.024 -17.701 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -24.007 2.654 -18.151 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -23.457 2.924 -16.771 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -17.946 -24.248 -10.557 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -17.686 -23.418 -10.167 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -17.466 -24.908 -10.057 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 20.796 2.052 -21.835 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 21.526 2.022 -22.455 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 20.096 1.552 -22.265 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 13.016 10.755 20.406 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 13.936 10.635 20.646 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 12.806 11.635 20.706 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 -19.546 10.568 9.597 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 -18.636 10.348 9.797 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 -20.046 9.848 9.987 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 -17.245 -3.771 -23.414 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 -16.795 -4.251 -22.724 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 -17.075 -4.271 -24.214 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 11.441 9.723 -10.227 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 11.411 10.613 -10.587 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 10.971 9.193 -10.857 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 4.298 8.445 -2.348 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 4.718 9.215 -1.968 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 3.398 8.475 -1.998 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 -20.272 -13.377 -12.559 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 -19.802 -12.747 -13.109 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 -19.832 -14.207 -12.729 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 9.058 -15.045 -5.175 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 9.708 -14.385 -5.435 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 8.578 -14.635 -4.455 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 -19.140 7.793 -13.845 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 -20.020 8.143 -13.985 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 -19.070 7.713 -12.895 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -17.504 -24.837 -16.924 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -16.814 -24.277 -17.264 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -18.014 -25.077 -17.704 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -20.531 -16.187 8.318 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -20.061 -15.527 8.818 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -19.851 -16.737 7.938 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 -14.912 -10.321 -18.112 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 -15.032 -10.311 -19.062 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 -15.592 -10.911 -17.792 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -2.272 0.277 5.356 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -3.082 0.587 4.956 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -2.512 -0.553 5.776 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 -0.549 -14.471 -4.471 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 -0.299 -15.081 -5.171 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 0.271 -14.261 -4.031 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 -1.113 -23.768 13.152 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 -0.283 -23.378 12.862 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 -1.243 -24.508 12.562 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 5.228 1.712 15.905 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 5.368 0.772 15.865 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 6.038 2.092 15.555 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 10.454 23.690 -8.378 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 11.304 23.910 -8.018 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 9.864 23.670 -7.618 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 16.771 -6.592 21.878 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 17.661 -6.482 21.538 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 16.291 -5.852 21.508 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 4.704 -4.824 -8.781 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 3.904 -5.354 -8.801 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 5.404 -5.434 -9.031 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -20.927 -1.802 14.141 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -21.427 -1.012 13.921 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -20.787 -2.242 13.301 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 15.981 19.503 -22.801 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 16.861 19.503 -22.431 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 15.821 20.423 -23.031 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -22.712 21.312 -15.331 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -22.012 21.942 -15.541 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -22.382 20.472 -15.661 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 5.946 -14.635 12.556 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 6.356 -14.655 13.426 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 6.336 -15.385 12.096 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 -22.337 5.971 -18.111 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 -21.707 6.271 -17.461 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 -22.647 5.131 -17.781 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -20.946 -9.270 11.125 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -20.256 -9.940 11.065 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -21.616 -9.670 11.675 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 9.683 -19.551 -1.561 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 9.833 -20.491 -1.531 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 9.523 -19.351 -2.481 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 -10.162 10.412 10.729 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 -10.812 9.982 10.189 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 -10.172 9.922 11.559 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 7.124 -13.366 -4.098 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 7.134 -12.906 -4.938 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 6.204 -13.586 -3.958 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -24.672 -19.619 -25.404 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -24.192 -19.429 -24.594 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -25.512 -19.179 -25.294 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 11.744 -9.420 -11.775 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 11.264 -10.250 -11.715 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 11.074 -8.750 -11.705 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -4.686 -11.595 16.774 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -4.596 -12.515 17.024 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -3.896 -11.405 16.274 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 24.754 -1.246 22.497 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 25.434 -1.456 21.857 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 23.934 -1.286 21.987 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -6.097 -25.428 11.081 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -5.327 -25.338 10.531 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -6.187 -24.588 11.521 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 8.635 1.715 4.829 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 8.815 1.495 5.739 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 9.505 1.745 4.419 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -14.743 -13.691 17.849 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -14.803 -14.441 18.439 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -15.563 -13.691 17.369 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 -15.600 22.470 2.637 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 -16.050 21.860 2.057 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 -15.290 23.170 2.057 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -24.187 -3.327 7.519 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -24.197 -2.387 7.359 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -24.017 -3.717 6.659 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -25.264 18.710 22.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -25.374 18.540 21.499 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -24.374 18.410 22.619 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -21.414 -11.442 -7.027 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -22.194 -11.982 -6.907 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -20.824 -11.992 -7.537 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -18.716 24.725 -22.224 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -19.586 24.745 -22.634 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -18.896 24.695 -21.284 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 1.504 -13.660 18.746 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 1.984 -14.400 18.376 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 2.184 -13.070 19.066 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 3.179 9.213 18.545 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 2.979 8.393 18.995 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 2.479 9.303 17.895 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 19.139 20.628 9.245 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 19.649 19.958 9.705 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 19.229 21.418 9.765 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 -11.526 22.916 16.672 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 -10.786 22.876 16.062 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 -11.636 23.846 16.862 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -20.046 -8.171 -17.641 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -20.786 -7.971 -18.201 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -19.976 -9.131 -17.661 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 5.963 -23.142 24.579 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 6.563 -22.622 25.119 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 5.893 -22.642 23.759 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 -6.554 6.892 -20.154 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 -5.804 6.352 -20.384 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 -6.324 7.772 -20.444 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 -9.327 18.381 22.471 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 -8.667 17.931 23.001 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 -10.117 17.861 22.591 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 -1.973 24.662 6.732 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 -2.623 24.022 6.452 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 -2.103 25.412 6.152 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 22.995 3.526 19.449 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 23.555 3.396 18.679 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 23.495 4.126 20.009 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 5.293 -11.627 -1.575 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 4.693 -10.917 -1.795 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 6.033 -11.207 -1.155 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 10.665 -6.762 22.687 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 10.435 -6.052 22.087 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 11.585 -6.612 22.887 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 23.921 -11.395 9.591 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 23.561 -10.845 10.281 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 24.761 -11.685 9.921 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 19.133 -20.925 6.112 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 19.963 -20.575 5.792 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 19.023 -21.755 5.642 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 -6.077 17.787 10.732 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 -6.267 18.227 11.562 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 -5.457 18.367 10.282 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 9.848 9.729 -24.304 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 9.838 10.309 -25.074 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 8.948 9.429 -24.214 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 16.209 -18.789 20.425 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 16.589 -18.009 20.025 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 16.629 -19.519 19.975 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 21.816 -1.021 -6.101 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 20.926 -0.821 -5.831 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 22.126 -1.651 -5.461 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -18.701 21.564 20.395 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -17.871 21.084 20.465 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -18.461 22.394 19.995 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 21.020 5.505 5.193 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 21.840 5.435 4.713 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 20.350 5.625 4.513 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 24.597 -12.677 -12.241 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 24.957 -12.607 -13.121 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 24.987 -13.477 -11.881 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 -7.260 2.315 -15.940 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 -8.180 2.415 -16.160 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 -7.060 3.065 -15.390 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 7.895 8.892 13.609 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 7.455 9.662 13.959 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 7.425 8.152 13.999 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 6.359 0.116 -11.431 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 6.389 1.036 -11.171 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 7.009 -0.304 -10.861 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 11.087 1.081 -10.804 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 11.287 2.021 -10.794 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 10.137 1.041 -10.744 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 24.337 6.349 -4.778 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 23.387 6.309 -4.888 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 24.577 7.229 -5.068 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 -9.702 -16.249 5.695 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 -9.332 -16.109 4.825 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 -9.472 -15.459 6.185 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 -18.296 -9.780 -0.699 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 -18.016 -8.940 -0.339 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 -18.166 -10.410 0.001 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 2.503 -24.357 -19.609 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 1.703 -24.867 -19.489 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 3.023 -24.887 -20.209 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -0.127 3.543 -17.838 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 0.373 3.103 -17.148 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 0.453 3.503 -18.598 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 0.134 -1.069 -18.276 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -0.326 -0.299 -17.926 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -0.566 -1.709 -18.426 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.736 11.185 -16.808 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 22.346 10.835 -16.168 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 21.316 11.925 -16.378 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 21.311 -16.570 -8.586 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 20.601 -16.100 -8.126 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 20.881 -17.340 -8.966 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -1.899 -0.730 19.122 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -2.739 -0.910 18.702 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -1.549 -1.590 19.352 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 9.370 -14.608 2.887 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 9.770 -15.478 2.897 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 8.450 -14.778 2.677 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 16.304 22.801 6.211 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 15.564 23.101 6.741 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 17.074 23.061 6.711 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 -8.069 -18.703 -18.304 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 -8.099 -19.503 -18.824 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 -8.849 -18.753 -17.744 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 5.465 -24.631 -8.412 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 6.325 -25.051 -8.452 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 5.665 -23.701 -8.332 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 0.634 -5.978 -9.411 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 0.854 -5.898 -8.481 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 0.464 -5.088 -9.691 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -1.660 9.152 6.748 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -0.940 8.912 7.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -2.130 8.332 6.608 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 20.460 -8.627 -0.946 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 20.160 -8.437 -1.836 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 20.000 -7.987 -0.406 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 10.348 -0.427 -5.913 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 10.158 0.153 -6.643 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 10.438 0.163 -5.163 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -24.754 -10.089 20.327 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -24.684 -11.029 20.197 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -25.674 -9.939 20.507 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 -8.205 13.260 19.760 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 -7.635 13.190 20.530 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 -7.615 13.520 19.050 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 1.499 -20.291 19.733 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 1.559 -20.711 20.593 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 1.359 -21.011 19.123 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 3.684 15.009 -1.731 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 3.734 15.819 -2.251 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 2.824 14.649 -1.951 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 22.306 21.039 -18.633 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 22.826 20.359 -19.063 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 22.896 21.379 -17.953 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 4.016 7.484 21.007 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 3.166 7.234 21.367 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 4.066 7.024 20.167 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 17.300 -22.790 -5.377 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 17.530 -23.170 -4.527 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 17.910 -22.050 -5.477 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -0.751 -16.808 -0.820 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -0.401 -16.568 -1.680 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -0.161 -16.388 -0.200 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 10.355 -15.376 -22.818 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 11.135 -15.326 -23.358 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 9.795 -16.016 -23.248 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 10.877 -20.911 14.218 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 10.527 -21.121 15.088 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 11.727 -21.351 14.198 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 10.999 22.817 -4.631 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 11.269 21.897 -4.631 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 11.499 23.207 -5.351 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 20.928 13.390 -12.205 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 21.288 14.260 -12.385 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 20.918 13.320 -11.255 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.249 -5.469 -24.751 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 3.039 -5.639 -24.221 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.049 -6.319 -25.161 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 24.755 18.940 19.711 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 23.925 19.400 19.601 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 25.145 18.940 18.831 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 12.534 -9.847 -22.177 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 13.434 -10.167 -22.077 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 12.124 -10.457 -22.797 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 -2.112 23.000 -15.062 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 -1.532 23.670 -15.412 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 -1.602 22.200 -15.082 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -24.537 19.782 -0.933 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -25.437 20.102 -0.983 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -24.367 19.672 -0.003 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 14.176 -23.238 -19.903 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 13.996 -23.798 -20.653 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 13.736 -23.668 -19.163 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 -22.074 -3.881 18.847 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 -21.464 -3.851 18.107 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 -22.504 -4.741 18.767 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 21.331 22.806 6.562 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 20.821 23.586 6.372 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 21.371 22.336 5.722 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 2.861 -18.071 -1.104 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 3.791 -18.081 -1.334 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 2.571 -17.181 -1.284 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 -1.779 7.361 22.449 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 -1.669 7.971 21.729 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 -2.709 7.141 22.449 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 15.069 -16.764 3.872 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 14.789 -17.504 4.402 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 15.209 -16.054 4.502 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 8.474 17.463 -7.878 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 9.304 17.603 -8.338 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 7.964 16.923 -8.478 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -7.702 -8.255 -23.428 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -7.962 -7.385 -23.138 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -6.822 -8.375 -23.068 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 12.204 -15.087 -6.979 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 12.014 -14.157 -6.849 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 11.674 -15.347 -7.739 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -2.630 18.353 17.092 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -3.520 18.393 17.432 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -2.290 19.243 17.222 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -17.936 -8.534 19.342 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -18.466 -7.954 18.792 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -17.336 -8.964 18.722 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 10.397 -12.804 -6.409 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 9.927 -12.004 -6.159 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 10.237 -12.894 -7.349 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -13.004 23.854 -24.688 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -12.924 24.754 -25.008 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -13.154 23.944 -23.748 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 5.415 -9.105 -1.703 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 4.535 -9.295 -1.363 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 5.885 -8.735 -0.953 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 24.521 0.590 24.709 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 24.681 1.470 24.359 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 24.791 0.010 23.999 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 3.806 -0.483 -11.478 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 3.536 -1.033 -12.218 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 4.766 -0.523 -11.478 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 15.450 -5.426 -1.594 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 15.200 -6.106 -2.214 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 14.740 -5.396 -0.954 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 11.634 -4.856 -4.587 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 12.484 -5.066 -4.977 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 11.504 -5.536 -3.927 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 14.408 23.318 14.320 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.068 23.498 13.660 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 14.678 22.488 14.710 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 -23.382 -12.705 23.740 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 -22.882 -11.895 23.620 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 -23.202 -13.215 22.940 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -15.484 9.648 -0.327 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -15.074 9.068 -0.957 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 -15.214 9.308 0.523 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 5.930 -23.853 7.523 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 5.760 -24.773 7.713 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 6.150 -23.473 8.373 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 -9.740 22.295 23.309 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 -9.620 22.055 22.389 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 -10.060 23.195 23.279 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 -13.054 -23.888 12.763 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 -13.244 -24.328 13.593 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 -12.114 -23.708 12.793 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 0.691 -7.057 -14.871 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 1.511 -6.587 -15.031 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 0.011 -6.387 -14.961 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 5.648 -11.464 11.669 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 6.128 -11.074 10.939 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 4.958 -11.984 11.259 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -5.552 -2.252 -15.557 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -5.182 -2.292 -16.437 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -4.922 -1.742 -15.047 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 0.145 21.720 -5.352 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 0.095 22.600 -5.722 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 0.495 21.170 -6.062 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 11.400 -15.041 13.909 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 10.870 -15.701 13.459 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 10.770 -14.381 14.189 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 -8.536 8.024 -1.707 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 -8.756 7.374 -2.367 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 -8.556 8.854 -2.177 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 18.704 12.926 4.089 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 19.474 12.966 4.659 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 18.064 13.516 4.499 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 -3.487 0.245 -7.401 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 -3.837 0.705 -8.161 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 -2.757 -0.275 -7.741 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 2.408 8.598 9.980 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 2.698 9.478 9.740 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 2.578 8.068 9.210 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 1.195 -16.101 -5.793 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 2.015 -16.281 -5.333 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 1.265 -16.581 -6.613 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 -13.375 -7.103 13.040 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 -14.215 -6.733 13.320 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 -13.545 -8.033 12.930 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 18.467 7.496 24.048 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 17.947 8.286 24.208 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 19.117 7.496 24.748 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 -8.609 15.735 -4.760 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 -8.029 16.295 -4.230 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 -8.239 15.775 -5.640 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 22.646 11.371 22.041 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 23.436 10.851 22.191 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 22.256 11.461 22.911 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 23.194 11.098 17.952 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 22.794 11.818 17.462 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 22.794 11.148 18.822 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -9.132 1.127 -8.691 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -9.202 0.237 -8.351 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -9.862 1.207 -9.301 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 10.064 3.586 -16.840 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 10.544 2.766 -16.970 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 9.744 3.816 -17.710 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.524 -6.998 13.839 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.684 -6.568 14.029 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 5.054 -6.828 14.619 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 -21.987 -5.045 -23.365 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 -22.507 -5.075 -22.565 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 -21.707 -4.135 -23.445 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 19.927 25.289 -19.933 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 20.697 25.099 -19.403 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 19.187 25.019 -19.393 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -5.063 16.679 3.399 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -4.643 16.839 2.549 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -4.383 16.269 3.929 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 -16.099 -15.351 2.507 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 -15.199 -15.581 2.287 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 -16.539 -15.251 1.667 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 6.275 -23.301 10.423 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 5.415 -23.501 10.803 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 6.905 -23.671 11.053 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 12.926 2.893 11.270 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 13.236 2.593 12.120 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 11.976 3.003 11.390 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 10.483 15.294 -12.802 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 9.743 15.864 -12.572 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 11.063 15.344 -12.042 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 -21.467 -7.670 -21.887 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 -22.187 -7.430 -22.477 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 -20.777 -7.040 -22.077 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -4.124 -20.842 -16.454 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -4.494 -19.952 -16.444 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -3.314 -20.762 -16.964 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 -22.753 -17.738 -3.659 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 -22.193 -18.268 -4.239 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 -22.133 -17.258 -3.109 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -1.322 -13.697 -0.567 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.132 -14.177 -0.727 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.512 -13.137 0.183 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -10.792 0.331 -20.274 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -11.012 -0.369 -20.894 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -9.902 0.591 -20.524 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 7.676 3.998 18.369 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 7.946 4.648 19.019 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 6.896 4.378 17.959 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 22.736 -20.994 0.388 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 22.886 -20.114 0.038 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 22.346 -20.854 1.248 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 -11.369 19.302 10.888 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 -12.289 19.072 10.998 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 -11.379 20.202 10.568 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 -17.665 10.092 -15.484 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 -17.725 9.672 -14.624 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 -18.245 9.572 -16.044 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -8.882 9.048 16.462 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -8.412 8.638 15.732 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -9.612 8.448 16.632 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 -3.301 2.820 -21.038 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 -3.771 2.070 -21.388 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 -2.871 3.210 -21.798 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -15.837 -21.738 1.855 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -16.417 -20.988 1.995 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -16.257 -22.238 1.155 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 -17.222 11.845 -24.459 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 -16.312 12.135 -24.429 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 -17.702 12.615 -24.779 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -16.862 -19.092 1.854 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -17.702 -18.652 1.994 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -16.422 -19.022 2.704 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 24.045 -24.360 17.051 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 24.965 -24.560 16.881 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 24.045 -23.500 17.461 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -21.566 -3.787 5.861 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -21.976 -3.837 6.721 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -20.776 -3.277 6.001 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 15.095 11.600 -8.351 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 14.495 11.100 -7.801 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 15.965 11.360 -8.041 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 8.369 -8.791 22.131 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 8.889 -9.481 22.551 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 8.959 -8.031 22.101 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 6.540 -12.320 14.196 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 6.800 -11.660 13.556 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 5.680 -12.610 13.896 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 5.601 11.709 8.314 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 5.321 12.439 7.774 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 6.191 12.099 8.954 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -16.881 -22.023 -4.896 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -17.141 -21.133 -4.636 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -17.061 -22.053 -5.836 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 16.260 8.022 6.870 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 16.090 8.672 7.560 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 15.490 7.462 6.880 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 -25.047 20.590 -14.331 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 -24.147 20.680 -14.641 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 -25.557 20.470 -15.131 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -4.206 23.155 5.618 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -4.486 23.945 5.158 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -4.876 23.005 6.278 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 -22.227 -20.809 18.072 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 -22.657 -20.439 18.842 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 -22.857 -20.689 17.362 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 -4.999 -11.737 -11.308 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 -5.179 -11.967 -10.398 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 -4.879 -10.787 -11.298 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 24.454 -16.022 19.728 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 25.364 -15.832 19.938 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 24.434 -16.962 19.558 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 13.264 -22.531 -13.105 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 13.564 -21.741 -13.555 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 13.124 -22.251 -12.205 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 14.460 -24.369 -3.284 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 13.710 -24.929 -3.064 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 14.120 -23.479 -3.234 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 3.663 5.151 8.980 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 4.093 4.401 8.570 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 2.733 4.931 8.970 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 -3.114 -14.766 6.335 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 -3.004 -15.366 5.605 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 -2.334 -14.206 6.325 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 6.575 10.815 14.799 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 5.775 10.615 15.279 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 6.505 11.745 14.579 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 7.548 -15.437 1.095 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 7.598 -15.157 0.175 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 6.788 -14.967 1.445 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 8.245 -19.056 18.086 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 7.745 -19.656 17.526 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 7.605 -18.746 18.726 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 -4.649 -0.769 -21.803 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 -5.089 0.021 -22.133 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 -4.659 -1.379 -22.543 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 -19.765 17.171 23.094 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 -19.835 17.441 24.004 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 -18.835 17.231 22.894 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -3.215 -4.389 24.569 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -2.715 -3.709 25.029 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -2.635 -4.679 23.869 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 15.290 8.816 -22.649 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 15.390 8.266 -23.429 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 16.120 9.306 -22.599 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 -0.395 24.990 -11.574 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 -1.025 24.550 -11.014 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 0.225 24.310 -11.834 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 22.594 22.588 0.659 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 23.404 22.868 1.079 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 21.924 23.178 1.019 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 4.073 21.424 -5.501 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 3.123 21.404 -5.661 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 4.363 22.254 -5.871 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.783 -25.172 9.106 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.003 -24.742 9.446 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.633 -25.202 8.156 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 2.960 0.264 -8.508 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 3.250 1.064 -8.078 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 3.240 0.364 -9.418 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 -9.250 10.087 1.651 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 -9.550 9.427 1.021 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 -8.650 10.637 1.151 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 -5.066 -14.861 10.902 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 -5.136 -14.461 10.032 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 -4.136 -14.811 11.112 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.747 -14.029 -13.745 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 1.207 -13.359 -13.225 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.297 -13.519 -14.415 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 14.291 11.381 -23.639 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 14.481 10.621 -23.079 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 13.391 11.241 -23.929 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 -7.410 -0.352 22.507 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 -6.670 -0.732 22.037 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 -7.720 0.348 21.927 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -22.397 22.357 -19.105 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -21.567 22.087 -18.715 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -22.337 23.307 -19.185 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 7.686 2.217 12.245 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 6.736 2.117 12.325 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 8.006 1.317 12.165 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -19.869 -11.135 -2.331 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -19.679 -10.785 -1.471 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -19.019 -11.165 -2.781 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 5.934 8.722 -8.714 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 6.024 9.142 -9.564 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 5.264 8.042 -8.844 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -20.406 20.216 22.565 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -20.536 19.306 22.315 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -19.896 20.596 21.855 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -21.946 19.497 -22.721 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -22.596 19.537 -22.021 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -21.826 20.397 -23.001 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -5.939 -14.135 5.309 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -5.549 -14.085 6.179 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -5.199 -14.255 4.719 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 5.321 24.097 5.516 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 6.061 24.157 4.916 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 4.761 24.847 5.276 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 7.698 14.082 -12.366 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 8.628 13.902 -12.216 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 7.658 14.372 -13.276 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -5.975 -9.250 -8.205 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -6.705 -9.770 -7.875 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -5.795 -8.620 -7.495 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.707 -18.797 14.370 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.997 -18.517 14.950 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.277 -18.937 13.520 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -24.947 12.728 -1.911 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -25.017 12.968 -0.981 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -25.687 13.158 -2.321 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 0.105 5.820 17.866 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -0.365 6.340 17.206 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -0.585 5.320 18.306 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 4.485 -2.149 -8.139 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 3.855 -1.479 -8.399 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 4.325 -2.869 -8.749 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 7.480 4.064 22.990 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 6.650 4.174 22.540 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 7.250 3.664 23.830 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 11.030 22.172 -10.690 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 10.800 22.762 -9.970 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 11.270 21.352 -10.270 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -21.397 -20.640 3.402 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -20.847 -20.050 2.892 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -21.957 -20.060 3.922 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 -24.999 -16.365 23.622 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 -25.329 -15.485 23.802 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 -24.149 -16.395 24.062 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -15.650 -15.159 -15.830 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 -15.420 -16.089 -15.950 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 -15.500 -14.999 -14.890 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -23.236 -19.357 13.826 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -22.416 -19.317 13.326 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -23.916 -19.197 13.176 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 6.111 14.403 -5.769 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 6.721 13.733 -6.079 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 6.471 15.223 -6.099 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -12.143 -6.771 -17.636 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -12.603 -6.811 -18.476 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -11.233 -6.961 -17.866 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -12.652 -22.096 -7.605 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -13.202 -22.636 -8.165 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -11.772 -22.166 -7.985 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 3.568 -12.881 -17.632 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 3.448 -12.581 -18.532 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 4.008 -12.151 -17.192 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -11.950 3.512 -22.542 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -11.510 4.262 -22.932 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -12.040 3.742 -21.612 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 -0.196 17.944 2.216 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 0.204 18.444 1.516 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 0.544 17.574 2.696 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 3.461 5.251 -0.945 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 4.141 4.581 -0.945 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 3.911 6.051 -1.205 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 8.121 12.509 -19.361 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 8.441 12.129 -18.541 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 8.671 12.119 -20.041 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 17.249 -14.403 16.476 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 18.069 -14.723 16.846 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 17.279 -13.453 16.616 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 -2.624 -4.123 -0.173 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 -2.794 -3.403 0.447 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 -2.384 -3.673 -0.983 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 25.419 -0.751 -23.298 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 25.279 -0.031 -23.908 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 25.029 -0.451 -22.478 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -20.163 -5.430 -16.131 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -19.933 -5.690 -15.231 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -19.933 -4.510 -16.181 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 -6.507 13.799 -23.706 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 -7.327 14.149 -24.056 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 -6.787 13.209 -22.996 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.374 -21.291 -6.336 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.524 -22.221 -6.146 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 21.794 -21.001 -5.626 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 -4.233 -12.089 8.358 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 -3.863 -11.789 7.528 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 -4.963 -12.659 8.108 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 24.771 18.344 16.809 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 25.721 18.494 16.789 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 24.662 17.494 16.379 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 1.625 -22.133 -18.511 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 1.545 -21.993 -17.561 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 2.125 -22.953 -18.581 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -6.277 0.251 -17.605 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -6.367 0.671 -16.745 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -6.777 0.821 -18.195 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -24.444 10.526 -17.004 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -24.364 11.396 -17.374 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -23.684 10.416 -16.444 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 21.777 2.399 -5.473 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 22.367 3.159 -5.493 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 21.727 2.119 -6.383 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -24.715 17.781 8.061 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -24.825 17.701 9.011 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -23.795 18.031 7.961 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -14.003 -4.209 -19.051 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -14.463 -4.719 -18.391 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -13.093 -4.199 -18.751 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 1.269 -22.193 12.151 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 1.199 -21.583 11.431 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 1.899 -22.853 11.851 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -8.999 14.463 -24.978 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.329 15.353 -25.038 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -9.779 13.913 -24.928 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 4.366 21.014 19.633 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 3.866 20.294 19.253 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 5.146 21.084 19.083 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 11.937 -2.552 8.129 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 11.457 -1.822 8.519 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 12.237 -3.072 8.879 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -1.682 5.635 -12.445 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -2.172 5.955 -13.205 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -1.622 4.695 -12.585 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 6.554 -22.466 -3.194 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 5.854 -23.106 -3.304 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 6.804 -22.226 -4.084 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -5.137 -5.606 -7.920 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -6.067 -5.806 -8.030 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -5.047 -4.696 -8.230 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 9.808 4.634 7.152 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 8.858 4.774 7.072 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 9.888 3.884 7.742 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 -2.054 17.257 11.372 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 -2.414 18.127 11.172 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 -2.614 16.647 10.902 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 11.995 -20.185 -13.978 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 12.885 -20.235 -14.308 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 11.465 -20.685 -14.608 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 -7.355 -20.530 14.152 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 -7.135 -19.750 13.642 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 -7.905 -20.200 14.862 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -21.943 -17.645 16.237 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -22.053 -18.545 15.947 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -22.643 -17.515 16.887 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 4.026 -8.885 18.037 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 4.826 -9.255 17.667 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 3.326 -9.315 17.547 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -9.157 -1.659 -7.651 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -9.027 -2.199 -8.431 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -10.057 -1.839 -7.381 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 -12.399 -23.917 -24.505 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 -13.229 -23.427 -24.455 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 -12.169 -24.087 -23.595 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -14.409 7.282 -16.121 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -15.289 6.952 -15.961 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -14.459 7.752 -16.951 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 -20.954 -1.651 -2.303 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 -20.564 -1.381 -3.133 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 -21.644 -1.011 -2.143 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 -1.587 4.815 5.240 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 -0.947 4.305 5.750 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 -1.767 5.575 5.780 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 20.907 -12.760 -6.198 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 21.097 -13.650 -5.898 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 21.507 -12.620 -6.928 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 -7.306 -22.161 -18.501 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 -6.536 -21.641 -18.291 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 -7.736 -21.691 -19.211 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 17.736 -16.439 0.765 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 18.216 -16.829 0.025 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 16.906 -16.909 0.785 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 16.366 4.965 2.060 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 17.296 5.135 1.930 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 16.176 5.305 2.940 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 16.358 17.433 -10.564 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 15.448 17.513 -10.274 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 16.368 16.653 -11.114 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.915 16.769 19.620 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 3.615 16.089 19.020 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 4.845 16.569 19.760 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -23.453 3.786 -21.988 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -23.483 3.696 -21.028 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -24.263 4.246 -22.208 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 7.109 -18.149 11.137 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 7.099 -19.109 11.217 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 6.549 -17.969 10.377 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 5.224 24.216 -24.644 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 5.354 24.726 -25.434 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 4.624 24.736 -24.114 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 18.154 23.862 -23.581 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 18.504 22.982 -23.451 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 17.724 23.832 -24.431 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.610 -0.852 1.379 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -16.960 -0.252 0.729 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -15.690 -0.942 1.149 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 20.321 10.558 -10.650 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.841 10.748 -11.460 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 21.121 11.078 -10.720 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 11.348 14.593 -8.869 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 12.158 14.613 -9.369 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 11.628 14.553 -7.959 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 24.857 -20.193 -4.709 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 24.557 -21.003 -4.299 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 25.087 -20.453 -5.599 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 16.285 -6.850 -6.611 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 17.115 -6.440 -6.341 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 16.395 -7.780 -6.381 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -1.114 -22.649 -4.760 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -0.644 -21.839 -4.960 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -0.744 -23.299 -5.360 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 -1.185 -2.986 -10.670 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 -0.285 -3.176 -10.920 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 -1.645 -3.816 -10.750 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 10.800 6.437 17.842 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 11.530 6.757 18.362 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 11.000 6.707 16.952 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 21.465 13.803 7.882 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 20.595 13.493 8.112 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 21.345 14.253 7.052 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -24.670 -5.450 -2.830 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -24.930 -4.790 -2.180 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -25.300 -6.170 -2.700 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 10.459 12.353 -10.688 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 10.089 12.043 -9.858 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 11.289 12.763 -10.438 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 23.838 24.784 9.924 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 23.598 24.074 9.334 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 24.738 25.004 9.694 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.016 -21.617 -20.699 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.656 -20.987 -20.369 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 17.406 -21.967 -21.499 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 3.142 -13.669 -6.164 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 2.973 -14.239 -5.414 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 3.063 -12.779 -5.814 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 2.973 17.602 -2.367 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 3.003 17.912 -3.267 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 3.843 17.802 -2.017 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -1.070 9.482 11.019 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -1.330 10.202 11.589 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -0.800 9.892 10.209 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -8.634 -1.732 -11.305 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -7.904 -2.262 -10.985 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -8.224 -0.912 -11.595 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -24.793 -21.604 -22.828 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -25.363 -21.274 -23.528 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -24.973 -21.034 -22.078 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 21.403 24.352 23.913 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 20.663 23.812 24.193 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 21.003 25.052 23.403 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 -15.369 -10.095 2.262 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 -14.819 -9.375 1.962 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 -14.769 -10.835 2.372 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 -17.305 22.568 8.712 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 -16.665 22.538 8.012 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 -17.515 21.658 8.892 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 -21.781 -14.505 22.091 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 -20.851 -14.735 22.191 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 -22.161 -14.675 22.951 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 -2.351 -17.828 -17.592 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 -2.171 -18.028 -18.512 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -3.301 -17.688 -17.562 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -13.315 -14.593 -12.226 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -13.285 -14.473 -13.176 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -12.835 -13.833 -11.886 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -9.807 3.114 18.537 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -9.857 2.214 18.857 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -9.537 3.634 19.297 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 5.795 -9.959 16.165 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 5.185 -10.319 15.525 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 6.645 -9.969 15.725 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 18.524 13.341 -21.465 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 19.174 13.991 -21.715 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 18.364 13.511 -20.535 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 -17.956 2.111 -17.743 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 -17.566 1.311 -18.103 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 -17.516 2.821 -18.213 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 -5.906 17.206 23.313 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 -6.346 16.526 22.803 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 -5.146 17.446 22.783 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -7.497 21.477 -9.862 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -8.357 21.877 -9.792 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -7.288 21.487 -10.792 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -8.715 24.392 16.996 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.085 25.082 17.156 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 24.822 17.056 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 10.346 25.132 19.462 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 10.876 25.872 19.772 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 10.336 24.522 20.202 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 18.810 0.762 -11.250 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 19.570 1.162 -11.660 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 18.260 0.482 -11.980 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 -11.446 -21.528 24.821 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 -10.556 -21.378 25.121 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 -11.556 -22.478 24.821 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -19.690 -2.156 -17.445 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -20.120 -2.996 -17.615 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -19.830 -2.006 -16.515 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 7.256 -8.610 -16.505 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 7.416 -8.860 -15.595 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 8.096 -8.770 -16.945 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 -0.070 21.583 10.319 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 -0.800 21.493 10.929 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 -0.450 21.373 9.459 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 23.773 -23.462 0.182 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 23.173 -23.742 -0.508 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 23.343 -22.712 0.592 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -0.629 17.295 -14.232 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -0.989 16.885 -13.452 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -1.009 18.175 -14.242 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -0.295 -7.430 -6.305 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -0.175 -7.940 -7.105 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 0.575 -7.060 -6.125 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 23.386 10.751 -4.365 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 22.516 10.351 -4.285 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 23.896 10.331 -3.675 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 -24.796 9.863 -10.139 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 -25.616 9.923 -9.649 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 -24.676 8.923 -10.289 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 -24.479 -16.721 -5.590 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 -23.559 -16.481 -5.460 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 -24.449 -17.581 -6.010 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -25.151 6.789 -18.359 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -24.251 6.519 -18.509 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -25.251 7.599 -18.859 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 4.308 2.403 10.134 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 4.128 1.803 10.854 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 4.188 3.273 10.504 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 15.903 -24.289 10.815 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 15.033 -24.669 10.975 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 15.723 -23.389 10.535 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -18.443 -21.749 22.592 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -18.203 -22.669 22.682 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -17.973 -21.309 23.302 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 -0.993 25.257 16.635 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 -1.233 24.777 17.435 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 -1.683 25.027 16.015 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 8.680 23.381 -0.738 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 9.500 23.621 -1.158 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 8.490 24.101 -0.138 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -12.407 1.550 -9.499 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -12.987 2.120 -10.009 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -12.927 1.280 -8.749 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -14.026 25.455 8.442 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -13.176 25.215 8.802 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -14.196 24.805 7.762 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 -15.562 5.947 3.346 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 -16.002 5.837 2.496 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 -15.442 5.047 3.656 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 -7.095 2.610 -18.951 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 -7.615 2.970 -19.681 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 -7.455 3.030 -18.171 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -0.885 -1.515 13.921 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -0.175 -1.005 14.301 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -1.515 -0.855 13.621 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 16.510 -15.816 7.729 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 16.020 -15.266 8.349 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 17.420 -15.556 7.849 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 -18.842 12.685 19.556 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 -19.592 12.945 19.006 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 -18.652 13.465 20.076 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 5.630 11.195 4.716 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 5.560 10.295 4.396 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 6.180 11.135 5.496 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 -12.855 -24.160 -16.055 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 -13.005 -25.090 -15.925 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 -12.235 -24.110 -16.775 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 13.393 11.675 4.315 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 12.603 12.055 3.925 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 13.173 11.545 5.235 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 25.204 1.124 -15.530 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 24.424 0.744 -15.950 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 25.394 0.534 -14.800 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 16.197 13.892 -8.670 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 17.147 13.892 -8.840 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 15.987 12.982 -8.490 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 0.596 1.233 4.499 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 0.486 1.993 3.939 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -0.204 1.203 5.029 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 9.114 12.050 -4.424 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 9.224 12.870 -3.944 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.854 12.320 -5.304 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -18.084 17.450 -16.026 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -17.724 17.710 -15.186 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -17.364 17.010 -16.466 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 -12.545 20.504 8.751 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 -12.415 21.424 8.991 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 -11.965 20.354 8.011 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 23.563 17.206 9.762 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 23.383 18.036 9.332 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 22.733 16.736 9.752 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -6.740 20.701 1.205 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -7.300 21.121 0.545 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -6.640 21.371 1.885 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 23.346 1.962 -11.049 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 23.166 1.832 -10.119 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 22.576 1.602 -11.499 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 -10.222 -14.917 12.743 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 -11.172 -14.857 12.573 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 -10.062 -14.277 13.433 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 -23.899 4.299 -3.361 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 -23.829 5.129 -3.831 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 -24.399 3.729 -3.941 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 23.571 14.639 -8.304 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 22.751 14.569 -7.824 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 23.531 15.499 -8.724 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 -1.957 12.312 -4.941 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 -1.317 13.002 -5.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 -2.617 12.392 -5.631 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 23.291 -7.800 2.025 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 23.121 -6.890 2.265 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 24.241 -7.890 2.085 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 -15.003 -16.174 -10.105 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 -15.693 -15.524 -10.195 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 -14.493 -16.094 -10.915 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 -9.134 -12.212 -22.295 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 -9.174 -12.972 -21.715 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 -8.574 -11.582 -21.845 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 2.750 -10.335 -13.961 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 2.140 -9.985 -14.621 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 2.400 -10.015 -13.131 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 6.277 -6.792 -24.335 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 7.077 -7.182 -23.975 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 6.537 -5.912 -24.605 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 20.539 2.652 -15.221 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 21.439 2.992 -15.151 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 20.559 2.082 -15.981 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 14.505 17.702 6.993 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 14.485 18.642 6.833 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 14.905 17.612 7.863 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 -1.723 -3.998 13.392 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 -0.783 -4.168 13.492 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 -1.793 -3.048 13.292 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 20.927 -1.972 -0.953 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 19.987 -1.982 -1.083 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 21.237 -1.252 -1.513 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -7.080 23.581 -0.381 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -7.230 24.061 -1.191 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -7.720 23.951 0.229 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 3.737 10.961 20.921 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 4.147 11.651 20.391 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 3.457 10.301 20.291 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 13.677 -1.518 -23.291 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 13.357 -1.928 -24.101 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 13.257 -2.008 -22.591 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 9.838 9.163 -15.963 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 9.988 10.093 -15.773 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 10.688 8.753 -15.813 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.529 -9.423 25.152 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 23.989 -10.193 25.492 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 24.139 -9.043 24.522 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 23.777 -5.865 -7.132 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 23.477 -6.455 -7.822 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 24.027 -6.445 -6.412 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 16.524 7.002 20.600 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 15.764 6.672 20.130 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 16.194 7.752 21.100 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 17.687 -12.351 2.125 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 18.457 -12.901 1.965 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 17.887 -11.531 1.685 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 16.574 7.129 10.550 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 16.734 7.709 9.800 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 17.284 6.489 10.520 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -9.846 -11.852 -17.564 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -9.496 -11.312 -18.274 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -9.326 -11.602 -16.804 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 -4.011 5.178 21.589 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 -4.891 5.058 21.239 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 -3.451 5.258 20.819 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 13.247 0.759 5.666 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 13.877 0.409 5.026 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 12.647 1.299 5.146 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 14.318 -4.685 -13.911 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 14.838 -5.475 -14.041 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 13.838 -4.845 -13.091 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -1.295 -0.903 -13.213 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -1.425 -1.843 -13.123 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -0.715 -0.813 -13.973 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 2.556 14.864 10.219 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 2.496 14.484 11.099 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 3.496 14.854 10.019 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -24.956 -19.792 -12.841 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -25.146 -18.972 -13.281 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -24.916 -19.562 -11.911 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 5.007 -14.504 21.832 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 4.707 -13.744 21.352 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 5.577 -14.974 21.222 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 -5.914 -7.627 -19.718 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 -6.724 -7.277 -20.068 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 -5.344 -7.717 -20.488 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 -7.661 11.762 14.645 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 -7.001 12.382 14.335 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 -7.211 10.922 14.635 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 18.607 15.444 -24.131 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 18.187 15.394 -23.281 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 19.397 14.904 -24.041 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 -0.312 19.136 -20.820 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 0.458 19.186 -21.380 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 -0.382 18.216 -20.580 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 21.959 -13.976 8.329 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 21.449 -13.336 8.829 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 22.639 -13.446 7.899 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 24.374 24.207 19.689 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 24.834 24.097 20.529 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 24.974 23.837 19.039 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 -4.422 5.100 13.472 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 -4.572 4.700 12.622 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 -3.652 5.650 13.352 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -10.179 -22.632 14.161 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -10.229 -23.152 13.361 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -9.669 -21.852 13.911 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 15.040 25.024 -16.118 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 15.020 24.534 -16.938 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 15.880 24.784 -15.718 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 0.828 -1.552 -5.268 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 0.448 -1.432 -4.398 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 1.748 -1.772 -5.098 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -21.634 6.531 24.136 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -21.634 6.721 25.076 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -21.584 5.581 24.086 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 9.998 -4.657 -8.011 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 9.528 -5.477 -7.911 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 10.348 -4.467 -7.141 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -13.173 6.753 -11.408 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -13.983 6.273 -11.248 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -13.073 7.323 -10.648 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -24.500 15.201 5.213 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -23.580 15.361 5.433 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -24.550 15.331 4.273 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 20.783 -11.923 9.966 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 20.543 -12.403 10.756 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 21.613 -11.503 10.176 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 -10.261 -10.436 -14.345 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 -11.111 -10.086 -14.615 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 -9.941 -9.806 -13.705 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 3.379 -10.537 2.392 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 3.149 -10.827 3.282 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.939 -11.177 1.822 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 21.865 6.634 7.541 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 21.505 6.454 6.671 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 22.805 6.484 7.441 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 -21.875 -7.613 9.277 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 -20.995 -7.973 9.217 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 -22.405 -8.343 9.617 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -0.813 1.469 -20.460 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -1.363 2.129 -20.880 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -0.733 0.769 -21.100 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 21.013 -24.078 -3.049 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 20.233 -24.498 -2.689 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 20.993 -24.268 -3.979 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 3.229 -23.489 10.479 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 2.539 -23.079 9.959 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 3.539 -24.209 9.939 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -20.482 17.009 -16.101 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -19.622 16.629 -15.921 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -20.352 17.549 -16.881 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 -5.033 -7.370 17.080 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 -4.453 -7.940 17.580 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 -4.613 -7.310 16.220 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 -23.665 10.851 -3.470 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 -23.765 11.301 -2.630 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 -24.355 11.221 -4.020 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -16.931 -2.245 -13.801 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -16.801 -1.785 -14.631 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -16.581 -1.655 -13.141 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 16.497 3.551 4.893 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 17.327 4.021 4.943 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 16.587 2.841 5.533 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 -23.145 4.636 11.446 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 -23.765 4.766 12.156 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 -23.655 4.226 10.746 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 24.313 13.871 -23.221 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 25.183 14.011 -22.851 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 24.393 14.121 -24.141 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 13.593 -7.552 14.954 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 12.813 -7.422 15.494 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 13.493 -6.942 14.224 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -18.983 -18.649 5.826 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -18.523 -19.219 5.206 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -18.293 -18.309 6.386 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 2.244 19.753 15.217 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 1.354 19.833 14.867 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 2.484 20.643 15.467 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -19.383 -18.150 -19.255 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -20.093 -18.130 -18.615 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -18.953 -18.990 -19.105 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 24.646 9.383 23.005 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 25.116 9.723 22.245 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 25.116 8.573 23.235 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 14.824 -17.279 -0.752 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 15.414 -17.709 -1.362 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 14.314 -16.679 -1.292 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 22.306 -9.771 17.256 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 22.076 -8.951 16.836 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 22.136 -10.441 16.596 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 -3.043 -11.435 -22.765 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 -3.253 -10.645 -23.275 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 -3.853 -11.615 -22.275 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -6.404 -23.363 -23.349 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -7.034 -22.703 -23.609 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -6.714 -23.693 -22.509 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 1.721 18.742 -22.525 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 1.701 17.852 -22.885 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 2.001 19.292 -23.255 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 3.263 5.362 -19.118 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 2.563 5.912 -18.778 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 3.853 5.982 -19.568 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 1.733 -10.574 8.175 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 1.423 -9.694 7.965 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 2.683 -10.524 8.065 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 23.413 -12.216 -3.463 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 24.203 -11.956 -3.943 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 23.423 -11.676 -2.673 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -6.284 -7.623 -16.832 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -6.884 -7.863 -17.532 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -5.594 -8.283 -16.862 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 19.593 15.894 -2.227 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 18.813 16.364 -2.537 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 19.713 16.204 -1.327 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -14.686 -22.520 9.627 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -15.136 -22.710 10.447 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -14.656 -23.360 9.167 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 23.537 -19.751 -10.560 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 24.487 -19.611 -10.540 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 23.267 -19.421 -11.420 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 16.816 8.335 0.180 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 17.346 8.815 -0.460 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 16.776 7.435 -0.160 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -7.695 -6.421 -8.298 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -8.095 -7.201 -7.918 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -8.425 -5.911 -8.638 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 -20.693 24.725 19.882 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 -20.313 24.075 20.472 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 -21.203 25.295 20.452 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 1.057 14.127 -15.407 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 1.887 13.697 -15.187 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 1.207 15.047 -15.177 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 1.666 -16.388 -22.656 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 0.796 -16.228 -23.026 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 2.236 -15.788 -23.136 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.736 17.929 23.122 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.156 17.509 22.492 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -22.196 18.059 23.902 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 13.703 -25.290 -13.549 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 13.913 -25.650 -14.409 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 14.013 -24.390 -13.569 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 21.173 4.425 1.931 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 20.823 3.615 1.551 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 21.323 5.005 1.191 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -22.057 -5.526 22.191 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -22.667 -6.226 21.981 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -22.467 -5.046 22.901 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 24.495 14.855 11.756 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 24.275 15.545 11.126 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 23.645 14.555 12.076 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 5.503 -21.940 -7.429 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 5.043 -21.100 -7.379 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 6.233 -21.780 -8.029 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 -19.404 -10.517 20.731 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 -19.994 -10.127 20.091 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 -18.544 -10.177 20.491 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -4.035 -4.476 -15.675 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -4.355 -4.096 -14.855 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -3.085 -4.486 -15.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -11.724 -22.818 18.530 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -11.804 -22.458 17.640 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -11.704 -23.768 18.400 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 15.441 -7.335 -13.304 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 16.311 -7.115 -12.964 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 15.371 -8.285 -13.184 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 -15.123 3.197 3.917 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 -15.833 2.607 4.187 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 -14.653 2.717 3.227 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -0.040 8.202 13.659 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -0.080 8.622 12.799 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 0.200 8.902 14.269 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -19.285 -9.548 16.075 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.225 -8.728 16.575 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -18.575 -10.088 16.425 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 -9.793 20.363 0.433 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 -9.823 20.223 -0.517 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 -10.273 19.613 0.803 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 -1.432 6.885 -16.741 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 -2.082 7.565 -16.901 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 -1.952 6.125 -16.451 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -19.896 11.981 -15.815 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -19.386 12.651 -16.275 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -19.246 11.401 -15.425 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 -15.802 18.149 1.112 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 -15.632 17.969 0.192 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 -16.112 17.319 1.462 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 -13.473 2.353 1.202 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 -12.853 2.773 1.802 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 -12.973 2.203 0.402 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -18.081 6.321 -24.951 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -18.541 5.501 -24.751 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -17.921 6.281 -25.901 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 6.350 19.571 -9.880 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 6.780 19.811 -9.060 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 6.720 20.171 -10.530 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 -17.110 17.586 22.842 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 -16.280 17.836 22.432 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 -17.130 18.056 23.672 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 -15.939 8.685 15.797 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 -15.829 9.245 15.027 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 -16.289 7.865 15.447 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 7.845 -15.395 22.189 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 8.235 -16.155 22.609 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 6.905 -15.495 22.339 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 8.280 -24.026 -14.970 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 8.680 -24.886 -14.950 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 8.790 -23.536 -15.610 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 -21.299 13.095 -12.730 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 -21.269 14.035 -12.920 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 -20.519 12.735 -13.150 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -9.585 -20.449 -5.756 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -9.435 -21.239 -5.236 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -9.575 -19.739 -5.116 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 4.607 -17.881 3.962 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 4.787 -18.691 3.492 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 5.397 -17.721 4.482 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -13.930 12.100 -14.039 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -13.110 12.590 -14.059 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -14.280 12.260 -13.159 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -22.116 16.859 12.589 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -21.446 16.999 11.919 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -22.916 16.679 12.089 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 5.007 15.046 4.229 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 4.827 14.486 4.989 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 4.227 15.586 4.149 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 11.126 -8.668 -15.029 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 11.496 -8.058 -14.399 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 11.586 -9.488 -14.859 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -16.406 24.474 15.826 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -15.796 23.874 16.266 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -17.236 24.364 16.296 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 23.191 -14.340 3.957 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 22.471 -14.550 4.537 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 23.901 -14.930 4.217 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 14.747 -3.785 -21.378 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 15.287 -3.575 -22.138 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 15.377 -4.075 -20.718 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 1.908 9.665 -15.051 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 1.408 8.845 -15.081 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 2.818 9.395 -15.091 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 10.014 -16.542 19.651 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 9.674 -17.002 18.881 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 10.654 -15.922 19.301 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 12.790 21.506 -19.024 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 12.990 21.576 -18.094 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 13.020 20.606 -19.254 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 15.254 -3.239 -2.909 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 14.364 -3.089 -3.219 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 15.244 -4.129 -2.569 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 17.958 15.480 6.533 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 18.848 15.820 6.553 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 17.778 15.210 7.443 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -14.811 17.849 21.444 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -13.881 17.779 21.674 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -14.921 17.229 20.724 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 23.730 17.154 5.849 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 23.150 16.854 6.549 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 24.590 16.804 6.079 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 9.644 12.843 14.857 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 10.034 12.283 15.527 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 10.394 13.133 14.327 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 8.228 -5.088 -14.405 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 7.748 -4.268 -14.505 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 7.578 -5.768 -14.545 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.527 -0.340 -24.998 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 20.157 -0.020 -24.168 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.367 0.120 -25.068 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 9.764 -17.984 -23.994 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 10.624 -17.834 -24.384 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 9.894 -18.734 -23.414 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 11.701 -13.189 -21.068 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 12.541 -13.259 -20.628 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 11.461 -12.269 -20.988 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 -9.732 5.535 -23.042 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 -9.972 6.375 -23.412 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 -9.782 5.665 -22.092 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 -10.247 -15.738 -4.909 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -11.137 -15.538 -5.219 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 -9.877 -16.318 -5.579 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 18.995 22.535 0.060 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 19.415 23.385 0.190 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 19.205 22.295 -0.850 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 -25.032 -12.975 4.640 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 -25.102 -12.705 5.560 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 -24.982 -13.925 4.670 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 9.355 19.817 -3.931 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 9.215 20.047 -3.011 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 10.195 20.227 -4.151 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 -10.002 -5.048 -9.565 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 -10.892 -5.008 -9.205 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 -10.122 -5.298 -10.475 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 13.969 -20.497 20.325 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 13.599 -20.397 21.205 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 14.689 -19.857 20.295 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 6.044 -12.873 17.076 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 6.684 -12.913 16.366 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 5.644 -12.013 16.996 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 20.094 -1.452 8.230 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 19.944 -2.392 8.120 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 20.854 -1.402 8.820 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 18.567 12.794 -15.718 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 17.787 12.264 -15.598 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 18.237 13.624 -16.058 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 2.880 -19.473 16.034 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 2.740 -19.813 16.914 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 2.300 -20.003 15.474 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 -20.191 -12.774 -4.691 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 -20.121 -11.824 -4.571 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 -19.501 -12.984 -5.321 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 19.083 -5.051 2.659 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 18.503 -4.401 3.059 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 19.303 -5.651 3.369 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 7.665 24.507 2.591 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 7.805 24.937 3.431 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 8.235 24.967 1.981 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 17.841 0.428 14.016 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 17.961 -0.332 13.446 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 18.701 0.858 14.026 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -4.020 -17.261 -2.226 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -3.190 -17.071 -1.796 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -4.060 -16.651 -2.956 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 -21.604 6.004 -23.430 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 -22.034 5.194 -23.150 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -20.754 5.994 -22.990 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 -12.056 -3.902 6.635 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 -11.206 -4.142 7.005 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 -12.306 -4.652 6.085 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 2.308 3.483 4.913 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 1.858 3.993 4.243 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 2.398 2.613 4.533 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -16.944 -21.426 8.189 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -17.084 -22.136 7.549 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -16.604 -21.876 8.969 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -19.732 12.054 7.172 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -19.422 12.364 8.022 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -20.322 11.334 7.372 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -8.212 -1.353 19.623 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -9.062 -1.293 20.063 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -7.892 -2.233 19.823 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 6.174 21.320 16.999 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 5.504 20.670 17.209 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 5.774 21.860 16.319 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 -0.173 1.849 -8.109 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 -0.683 1.769 -8.919 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 0.277 1.009 -8.029 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 7.934 -16.545 16.442 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 8.634 -15.995 16.792 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 8.264 -17.435 16.552 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 15.306 11.414 18.005 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 15.236 12.314 17.705 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 15.296 10.894 17.205 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 1.010 14.546 20.546 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 1.500 14.886 19.796 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 0.220 14.166 20.166 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 -8.694 -5.822 -14.035 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 -8.394 -6.402 -13.345 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 -7.894 -5.602 -14.525 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 6.026 -3.631 16.265 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 5.186 -3.771 15.825 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 5.786 -3.171 17.075 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -23.383 24.826 16.572 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -22.943 25.546 17.012 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -23.273 24.076 17.162 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 0.627 21.018 -10.724 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 0.127 20.218 -10.534 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 1.017 20.858 -11.584 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 -2.507 7.980 -2.974 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 -2.847 8.720 -2.464 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 -2.077 8.380 -3.724 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 1.011 -11.660 -11.685 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 0.581 -11.390 -10.875 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 1.921 -11.410 -11.575 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 6.294 8.482 18.552 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 5.424 8.412 18.952 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 6.814 7.802 18.982 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 19.084 6.201 16.346 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 19.384 5.311 16.516 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 18.804 6.521 17.206 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 19.689 -22.751 -23.210 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 20.489 -23.201 -23.470 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 18.989 -23.241 -23.640 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 -15.165 -10.161 6.236 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 -14.405 -10.381 6.776 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 -15.155 -10.801 5.526 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 24.025 0.537 -4.606 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 23.495 -0.183 -4.956 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 23.395 1.227 -4.416 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -11.444 18.589 2.305 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.254 19.109 2.305 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.284 18.399 3.235 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 17.236 -20.009 -0.155 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 17.286 -20.279 -1.065 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 17.886 -19.319 -0.065 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 9.303 -1.115 -9.033 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 9.773 -1.805 -9.493 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 9.823 -0.965 -8.233 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 -22.754 -23.697 18.636 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 -22.924 -22.837 18.236 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 -21.844 -23.657 18.906 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 -12.835 4.284 18.179 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 -11.995 4.654 17.899 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 -12.695 4.024 19.089 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 23.029 -19.495 16.533 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 23.069 -20.405 16.223 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 23.549 -19.495 17.333 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 -17.197 -3.937 11.072 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 -17.577 -3.857 11.952 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 -17.877 -4.387 10.562 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -10.662 9.902 13.320 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -10.142 9.192 13.700 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -10.312 10.702 13.730 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -9.695 -16.486 0.470 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -9.185 -17.286 0.280 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -9.795 -16.066 -0.380 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 23.724 17.238 -9.733 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 23.944 17.698 -10.533 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 22.984 17.738 -9.373 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 3.047 8.959 7.139 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 3.807 9.399 6.759 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 2.457 9.659 7.399 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 -1.626 10.900 4.700 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 -2.126 10.590 3.940 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 -1.706 10.190 5.330 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 3.419 -0.219 2.159 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 2.899 0.371 1.629 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 2.799 -0.609 2.769 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 1.404 -17.479 24.752 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 1.764 -16.619 24.522 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 0.454 -17.359 24.682 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -19.163 0.828 17.622 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -18.373 0.298 17.652 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -18.873 1.708 17.862 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 17.944 1.354 -16.695 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 17.874 1.934 -17.455 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 17.164 1.554 -16.175 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 -0.061 -15.021 5.710 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 0.039 -14.421 4.970 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 0.769 -15.511 5.730 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 -1.514 -7.976 -8.931 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 -2.454 -7.896 -9.101 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 -1.144 -7.146 -9.211 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 23.374 14.460 -1.685 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 23.104 14.770 -0.815 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 23.194 15.200 -2.265 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 0.867 23.156 15.337 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 0.647 24.086 15.267 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 0.037 22.736 15.547 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -12.309 -22.671 3.886 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.479 -23.111 4.056 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.089 -21.741 3.856 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 -16.964 0.655 -13.315 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 -16.144 1.105 -13.105 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 -17.404 1.235 -13.935 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 -8.131 15.616 -21.719 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 -8.311 16.446 -21.269 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 -7.281 15.736 -22.119 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 10.248 -23.980 5.835 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 9.408 -23.590 5.565 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 10.118 -24.230 6.745 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 -4.722 -0.086 3.118 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 -4.662 -0.796 2.478 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 -5.402 0.484 2.778 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 18.120 -9.201 16.155 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 18.360 -9.891 16.775 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 17.380 -8.761 16.575 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 14.198 -2.081 -6.749 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 13.998 -1.681 -7.589 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 13.398 -1.971 -6.229 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 -7.013 22.271 4.611 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 -6.083 22.331 4.821 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 -7.123 21.381 4.281 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 -5.587 1.623 0.900 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 -6.007 2.323 1.400 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 -6.107 1.573 0.090 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 7.021 -1.317 24.537 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 6.801 -0.577 25.107 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 7.411 -1.967 25.117 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 0.129 10.932 17.419 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 0.649 10.332 16.879 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 -0.641 11.122 16.889 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 19.988 12.705 23.225 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 19.388 12.065 23.605 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 20.538 12.995 23.955 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 -21.843 -23.033 13.256 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 -22.593 -22.473 13.446 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 -21.323 -22.533 12.626 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 -7.140 2.206 -11.194 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 -6.800 2.956 -10.714 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 -8.030 2.456 -11.434 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 7.724 7.644 -2.472 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 8.444 8.234 -2.252 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 7.364 7.984 -3.292 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 6.406 -10.809 -24.566 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 5.606 -10.869 -24.046 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 6.236 -10.099 -25.176 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 -0.171 -19.497 -16.673 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 -0.711 -18.737 -16.883 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 -0.491 -20.197 -17.243 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 9.987 0.810 7.276 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 10.487 0.030 7.506 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 10.137 1.410 8.006 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 -7.650 23.666 -24.829 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 -7.020 23.266 -25.429 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 -8.400 23.896 -25.379 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 -7.060 -0.820 1.779 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 -7.470 -1.640 1.499 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 -6.770 -0.410 0.959 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 2.347 -14.379 24.857 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 2.307 -14.349 23.897 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 2.257 -13.469 25.127 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 4.651 13.987 12.686 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 5.171 13.817 13.466 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 3.941 13.347 12.726 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 -0.297 4.273 -6.698 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 -0.177 3.513 -7.258 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 0.593 4.503 -6.408 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 -15.059 -24.464 -6.697 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 -14.299 -24.194 -6.177 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 -15.809 -24.044 -6.267 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 18.576 21.490 24.707 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 19.336 21.250 24.177 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 18.356 20.680 25.187 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 1.145 -20.875 14.885 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 1.185 -21.155 13.965 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 0.265 -21.125 15.165 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 4.593 -16.632 -15.906 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 4.033 -16.772 -16.676 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 4.403 -15.742 -15.636 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 -7.179 24.155 -11.339 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 -7.209 25.105 -11.439 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 -8.049 23.915 -11.019 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 8.510 9.904 -11.135 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 7.810 10.304 -11.645 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 8.360 8.964 -11.225 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 7.086 19.814 -1.087 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 6.306 20.324 -1.337 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 7.186 19.984 -0.147 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 9.481 3.276 0.632 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 9.031 4.076 0.352 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 10.101 3.576 1.302 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 -9.177 -4.516 -6.545 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 -8.767 -3.796 -6.055 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 -8.447 -5.056 -6.835 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -3.115 17.574 -1.287 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -2.195 17.324 -1.207 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -3.505 17.354 -0.437 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -0.134 -17.194 -13.373 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -0.464 -16.844 -12.553 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 0.416 -16.494 -13.733 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 9.625 -17.869 5.051 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 10.395 -17.869 5.621 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 9.755 -18.629 4.481 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 -15.407 6.385 -10.119 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 -15.837 6.885 -9.419 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 -15.937 5.585 -10.189 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -14.565 0.190 -0.178 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -13.625 0.240 -0.318 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -14.915 0.970 -0.608 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 -0.254 11.901 14.492 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 -0.234 12.481 13.732 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 0.666 11.831 14.762 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 3.611 -16.358 -4.361 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 4.401 -15.948 -4.011 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 3.881 -16.748 -5.191 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 2.370 -19.535 11.640 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 2.490 -19.235 12.540 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.220 -19.905 11.390 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -14.963 16.657 -14.725 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -14.493 16.797 -13.905 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -14.503 15.917 -15.135 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -21.139 -21.626 10.733 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -21.159 -20.686 10.883 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -21.479 -21.736 9.843 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 24.310 -5.235 21.559 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 24.770 -4.425 21.749 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 23.450 -5.125 21.959 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -6.426 13.945 12.879 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -5.956 14.595 13.409 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -5.786 13.255 12.709 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 1.821 -22.928 -2.439 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 1.331 -22.108 -2.289 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 1.481 -23.538 -1.789 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -7.375 -17.800 24.481 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -7.945 -18.310 25.061 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -7.365 -16.930 24.861 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 23.424 2.800 -3.261 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 22.694 2.340 -2.861 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 23.954 3.100 -2.521 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 -13.881 11.461 24.057 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 -13.891 10.541 24.327 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 -14.621 11.541 23.447 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -13.356 -11.887 23.986 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -14.296 -11.967 23.816 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -12.966 -12.607 23.496 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 13.784 3.885 -6.578 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 14.064 3.075 -7.008 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 13.954 4.575 -7.228 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -17.932 -11.337 1.612 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -18.392 -11.237 2.442 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -17.112 -10.877 1.732 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 2.636 16.561 13.902 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 2.636 17.011 13.062 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 3.466 16.801 14.312 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 11.177 -13.900 24.769 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 10.807 -14.160 23.919 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 11.667 -13.100 24.579 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 2.473 -5.819 -20.521 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.683 -6.419 -21.231 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 2.073 -5.069 -20.951 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 0.984 2.509 -24.891 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 1.284 1.759 -24.381 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 1.474 3.249 -24.531 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 4.534 -10.902 7.801 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 4.324 -11.752 8.181 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 5.334 -10.632 8.231 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -19.954 -22.959 17.446 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -20.524 -22.189 17.516 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -19.124 -22.679 17.826 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -24.422 5.371 15.326 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -24.852 6.041 14.796 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -24.402 4.601 14.766 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -25.376 6.585 9.576 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -25.176 5.715 9.236 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -24.526 6.935 9.856 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 4.198 3.599 -24.331 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 4.238 3.569 -25.291 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 4.558 4.459 -24.101 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 3.554 -20.838 -24.219 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 3.684 -21.778 -24.299 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 2.704 -20.678 -24.629 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 17.805 16.542 12.853 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 18.005 15.622 12.703 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 18.655 16.972 12.893 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 18.638 -8.741 23.162 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 19.238 -8.921 22.432 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 17.998 -8.121 22.802 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 17.585 -23.416 17.422 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 17.515 -24.216 16.902 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 16.695 -23.076 17.472 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -12.696 1.390 17.259 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -12.166 1.690 16.519 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -13.346 2.090 17.389 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 19.888 -12.730 -11.895 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 19.698 -12.750 -10.955 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 20.128 -13.630 -12.105 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 17.353 18.749 -2.975 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 17.543 19.369 -3.685 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 17.593 19.209 -2.175 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 -8.950 21.222 -2.098 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 -9.140 22.082 -2.468 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 -7.990 21.172 -2.058 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 17.976 -23.759 8.405 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 18.406 -23.809 9.255 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 17.976 -22.829 8.195 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 19.645 -21.898 15.865 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 18.915 -22.058 15.275 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 19.745 -22.718 16.355 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 -11.680 -17.162 23.307 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 -11.850 -17.822 22.637 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 -11.330 -17.662 24.047 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 -23.462 15.133 -24.128 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 -24.282 15.583 -23.918 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 -23.052 15.663 -24.808 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 6.197 15.458 20.082 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 6.997 15.328 19.582 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 6.327 14.958 20.882 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -6.043 -14.458 8.146 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -5.303 -14.938 7.756 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -6.783 -14.668 7.586 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -12.009 -24.667 10.302 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -12.679 -24.557 10.972 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -11.299 -24.097 10.572 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -15.751 11.471 22.136 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -16.381 11.681 21.446 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -15.051 12.121 22.036 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -20.731 -5.656 -9.368 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -21.581 -5.606 -9.808 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -20.931 -5.486 -8.438 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 -18.726 -9.005 13.521 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 -18.906 -9.875 13.141 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 -18.676 -9.165 14.461 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -7.223 -0.845 9.314 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -7.563 -1.195 8.484 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -7.943 -0.345 9.674 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -17.471 23.438 4.294 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -16.661 23.188 3.864 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -17.281 24.288 4.684 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -19.913 -13.080 -8.514 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -19.523 -13.720 -7.904 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -20.803 -13.410 -8.654 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 -10.045 4.542 24.363 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 -10.465 3.702 24.543 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 -9.665 4.812 25.203 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 1.198 13.484 5.151 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 0.298 13.494 5.471 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 1.148 13.874 4.281 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 15.960 -0.389 -18.558 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 15.610 0.401 -18.968 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 16.750 -0.099 -18.098 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.725 21.286 -16.851 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 16.975 20.426 -16.541 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.765 21.846 -16.071 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -22.887 -23.805 -2.061 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -23.807 -23.865 -2.331 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -22.557 -23.025 -2.491 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 23.805 7.511 -9.410 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 23.915 6.571 -9.580 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 23.705 7.901 -10.280 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -11.709 -9.493 -22.065 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -11.179 -8.693 -22.115 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -11.159 -10.153 -22.485 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 -6.769 -17.272 2.035 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 -7.679 -17.122 2.285 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 -6.609 -18.192 2.235 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -17.530 -15.319 -9.702 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -18.330 -15.789 -9.902 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -17.810 -14.549 -9.222 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 -10.767 -10.215 18.239 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 -10.337 -9.415 18.539 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 -10.097 -10.895 18.289 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 -12.542 19.030 -24.483 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 -13.022 18.630 -25.203 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 -12.082 19.780 -24.873 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -18.551 11.614 22.199 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -18.541 10.654 22.209 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -18.151 11.854 21.359 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -17.135 -22.058 -15.613 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -17.495 -21.988 -16.503 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -16.295 -22.488 -15.733 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 -16.390 3.459 -6.965 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 -17.270 3.379 -6.595 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 -16.210 2.589 -7.305 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 4.073 21.993 -22.691 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 4.793 21.383 -22.531 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 4.493 22.783 -23.021 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 -11.016 24.812 5.822 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 -10.466 25.342 6.392 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 -10.696 23.922 5.942 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 16.708 -18.609 -18.975 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 17.288 -18.439 -18.235 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 15.848 -18.299 -18.675 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 12.636 4.489 20.959 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 12.776 3.549 20.949 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 12.376 4.709 20.069 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 -22.893 9.977 -12.304 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 -22.383 10.757 -12.504 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 -23.673 10.307 -11.854 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 24.570 8.860 -2.639 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 25.460 9.110 -2.889 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 24.650 7.960 -2.319 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 6.463 -6.365 16.386 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 6.113 -5.485 16.476 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 6.533 -6.695 17.286 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 2.085 13.938 24.682 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 1.935 14.708 25.232 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 2.405 14.288 23.852 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 18.603 -12.126 8.545 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 19.483 -12.166 8.935 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 18.373 -13.046 8.395 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 23.971 -12.661 2.056 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 23.781 -13.511 2.446 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 24.441 -12.181 2.746 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 14.478 -10.035 -10.289 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.248 -10.095 -11.219 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.828 -9.425 -9.929 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -15.953 -11.439 -24.271 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -15.383 -12.149 -23.971 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -15.423 -10.649 -24.141 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 8.285 -17.144 -10.369 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 7.575 -17.634 -9.949 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 8.725 -16.694 -9.649 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 -22.292 9.791 20.962 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 -22.092 10.381 21.692 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 -21.432 9.501 20.652 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 -5.562 22.504 -13.908 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 -4.862 22.944 -14.408 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 -5.582 22.974 -13.068 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -15.907 0.423 10.146 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -16.207 -0.447 10.386 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -15.737 0.373 9.206 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 8.015 -17.649 -6.625 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 8.415 -18.219 -7.285 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 8.535 -17.789 -5.835 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -22.023 -14.930 -9.035 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -22.473 -14.800 -8.205 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -21.213 -15.370 -8.805 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 17.295 -25.042 6.052 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 17.565 -24.472 6.762 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 16.335 -24.942 6.022 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 7.437 1.231 19.209 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 6.837 1.851 19.619 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 7.597 1.591 18.339 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -24.813 6.190 -12.214 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -24.173 6.180 -11.504 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -24.523 5.490 -12.804 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 13.983 -4.991 -6.013 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 14.343 -4.141 -6.303 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 14.463 -5.641 -6.533 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 -24.343 -4.531 13.003 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 -25.223 -4.601 12.633 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 -24.453 -4.771 13.923 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 20.107 -21.446 19.558 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 20.817 -20.836 19.388 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 20.087 -22.016 18.788 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -5.684 -11.261 19.732 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.524 -11.161 20.172 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -5.354 -10.361 19.632 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 -20.395 -22.769 -16.858 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 -21.195 -22.609 -17.348 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 -19.965 -23.489 -17.328 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 -20.159 -0.615 6.055 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 -20.259 -0.335 5.145 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 -19.379 -1.175 6.045 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 -21.126 -23.709 21.938 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 -20.696 -24.569 21.958 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 -20.556 -23.169 21.388 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 -16.443 19.673 20.342 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 -15.983 19.953 19.552 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 -15.813 19.123 20.812 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.798 18.258 -5.730 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 14.558 17.618 -5.060 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 15.608 17.908 -6.100 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 -10.692 -22.248 6.538 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 -10.132 -21.948 7.248 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 -11.292 -21.528 6.378 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 13.160 -24.391 10.649 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 12.950 -23.941 9.829 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 12.760 -25.251 10.569 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -4.995 22.789 8.442 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -4.495 23.389 9.002 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -5.305 22.109 9.042 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 -15.549 -4.750 -12.028 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 -15.189 -5.550 -12.388 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 -15.789 -4.220 -12.788 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 17.280 -21.402 -12.945 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 16.890 -20.592 -12.615 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 18.200 -21.182 -13.105 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 22.854 -19.688 -16.857 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 23.204 -20.248 -17.547 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 22.924 -20.208 -16.057 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 -15.140 -23.070 -13.214 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 -14.490 -23.490 -12.644 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 -15.010 -22.130 -13.084 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 6.097 21.685 -18.144 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 5.957 21.875 -19.064 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 5.237 21.775 -17.744 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -5.177 12.769 21.305 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -4.767 13.089 22.115 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -5.157 13.519 20.715 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -6.215 -21.895 16.943 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -6.235 -21.455 16.093 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -6.995 -21.575 17.393 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 4.710 -20.184 -0.897 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 3.890 -20.364 -1.357 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 4.470 -19.574 -0.197 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 21.313 -13.946 1.835 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 21.783 -14.766 2.015 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 21.803 -13.276 2.315 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 9.793 15.404 -6.269 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 9.763 15.204 -7.199 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 9.053 15.994 -6.129 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 -2.107 -10.803 -2.854 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 -2.077 -9.853 -3.014 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 -2.457 -10.883 -1.974 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -2.250 14.932 -6.862 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -3.140 15.042 -6.522 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -1.710 15.452 -6.272 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 22.067 22.151 -21.341 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 22.457 21.311 -21.581 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 22.157 22.191 -20.391 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 4.670 -16.690 1.237 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 5.540 -16.440 1.527 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 4.120 -16.600 2.017 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 24.748 -20.213 7.441 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 24.388 -21.093 7.341 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 25.058 -20.183 8.341 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 23.616 -6.489 16.306 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 23.256 -5.879 15.666 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 23.556 -6.019 17.146 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 -16.150 7.232 20.765 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 -16.930 7.442 21.285 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 -15.470 7.052 21.415 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 10.255 -22.987 -20.796 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 11.065 -22.537 -20.556 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 10.425 -23.907 -20.606 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 -24.176 -22.215 24.156 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 -24.186 -21.425 24.686 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 -24.976 -22.675 24.396 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 13.631 22.137 9.659 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 14.121 21.397 9.319 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 14.291 22.717 10.039 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -15.183 -16.898 -7.208 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -15.333 -16.838 -8.158 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -15.403 -16.028 -6.878 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.577 13.174 6.100 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 7.867 13.124 7.010 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 6.837 13.784 6.110 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 10.361 11.252 -13.286 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 10.721 11.782 -12.576 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 10.441 10.342 -12.976 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 -22.101 -11.227 -10.891 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 -21.791 -12.027 -10.461 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 -22.431 -11.517 -11.741 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 12.997 7.124 -3.345 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 13.807 7.604 -3.215 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 12.387 7.504 -2.715 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 25.133 -13.917 -14.834 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 25.373 -13.887 -15.764 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 24.193 -14.087 -14.824 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 -6.846 -10.141 15.981 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 -6.026 -10.521 16.321 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 -6.856 -9.251 16.311 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 -16.564 8.436 -24.649 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 -16.484 8.606 -25.589 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 -17.484 8.216 -24.529 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -15.253 -12.103 21.107 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -14.653 -11.363 21.247 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -15.643 -12.263 21.957 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 -5.684 -20.809 -10.356 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 -6.134 -20.669 -11.196 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 -5.044 -20.099 -10.306 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 20.115 -21.019 12.925 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 19.295 -21.379 12.585 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 20.035 -20.079 12.805 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 18.875 -14.825 -18.110 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 18.885 -15.045 -19.040 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 19.795 -14.745 -17.870 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 19.267 -7.353 1.208 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 18.397 -7.203 0.828 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 19.507 -6.503 1.578 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 8.895 17.053 11.275 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 8.605 17.933 11.535 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 8.165 16.483 11.495 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 8.023 12.085 -0.144 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 7.513 12.145 0.656 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 8.813 12.615 0.026 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 -21.369 9.485 15.881 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 -21.999 10.075 16.301 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 -20.599 9.515 16.441 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 -16.370 -17.743 3.985 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 -16.830 -16.913 3.895 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 -15.610 -17.543 4.525 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 13.279 15.050 13.245 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 13.299 15.290 12.315 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 12.449 14.590 13.355 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 3.486 18.760 -12.731 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 4.356 18.380 -12.581 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 3.396 18.780 -13.681 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 -23.705 -14.267 -6.544 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 -23.985 -14.157 -5.634 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 -24.035 -15.127 -6.794 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -3.635 -7.693 2.345 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -3.485 -8.643 2.345 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -3.095 -7.373 1.625 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 -20.894 -10.232 1.301 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 -21.314 -10.642 0.551 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 -21.574 -10.212 1.971 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -17.412 -13.189 16.609 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -17.682 -12.489 17.199 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -17.132 -12.729 15.809 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -10.409 14.593 19.709 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -11.229 14.513 19.219 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -9.909 13.813 19.479 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 -11.873 13.614 10.591 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 -10.993 13.624 10.971 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 -12.043 12.684 10.431 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 6.996 16.752 -0.445 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 7.566 17.022 -1.175 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 7.496 16.972 0.335 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 3.726 -23.498 -24.283 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 4.606 -23.488 -24.643 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 3.166 -23.748 -25.013 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 -24.379 -12.196 -20.193 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 -23.849 -12.896 -20.563 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 -23.879 -11.396 -20.373 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 0.816 24.896 -24.988 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 0.286 24.966 -24.188 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 0.236 24.486 -25.628 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 -12.372 -7.170 -20.543 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 -12.462 -7.840 -21.223 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 -12.432 -6.340 -21.023 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -1.865 -7.935 -3.665 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -1.595 -7.895 -4.585 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -2.705 -7.485 -3.645 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 22.240 4.040 14.862 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 22.060 4.890 15.262 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 21.560 3.460 15.202 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 -9.544 -22.680 22.026 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 -8.614 -22.900 22.016 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 -9.744 -22.530 22.946 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 -20.047 5.881 5.770 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 -19.887 5.161 6.370 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 -19.877 6.671 6.290 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 16.886 19.325 -12.573 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 16.046 19.765 -12.423 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 16.706 18.405 -12.363 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 23.665 -8.646 8.456 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 24.515 -8.386 8.106 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 23.445 -9.456 7.986 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 -18.914 23.011 -17.300 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 -18.154 23.431 -16.880 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 -19.304 23.701 -17.840 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -9.589 19.765 -21.452 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -9.959 20.635 -21.592 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -8.699 19.825 -21.812 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 17.427 -10.937 25.125 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 17.747 -10.077 24.845 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 16.977 -11.287 24.355 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 -12.496 11.100 -23.279 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 -11.846 11.080 -23.979 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 -12.046 10.730 -22.519 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 1.297 -10.143 22.703 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 1.327 -10.243 23.653 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 0.427 -10.443 22.453 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 21.508 19.425 -2.353 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 20.848 20.095 -2.173 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 21.358 18.755 -1.683 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -16.335 -1.032 5.154 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -16.845 -1.292 4.384 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -15.425 -1.252 4.924 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 23.011 24.990 12.447 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 23.671 24.660 13.057 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 23.451 24.970 11.587 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 25.598 12.437 18.267 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 24.768 11.987 18.097 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 25.388 13.067 18.957 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 1.701 -10.535 -18.135 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 1.521 -9.605 -18.025 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 2.651 -10.615 -18.075 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 20.373 -19.742 -23.368 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 19.893 -19.122 -22.818 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 19.943 -20.582 -23.218 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -5.666 4.756 -17.600 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -4.796 4.376 -17.480 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -5.886 4.566 -18.510 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -14.084 17.854 11.979 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -14.144 18.234 12.859 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -14.404 18.544 11.399 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 14.307 -16.464 19.786 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 14.737 -15.804 20.326 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 14.707 -16.374 18.926 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 10.541 -10.699 15.139 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 10.581 -11.199 15.959 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 10.391 -11.349 14.459 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 9.439 10.170 2.829 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 8.929 10.960 2.999 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 10.309 10.360 3.189 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -9.362 -20.803 -19.608 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -9.962 -21.493 -19.298 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -9.932 -20.063 -19.788 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 22.178 12.968 12.292 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 22.278 12.538 13.142 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 22.668 12.418 11.682 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 11.410 -12.804 -1.940 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 11.450 -11.854 -1.800 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 11.320 -12.914 -2.880 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 -10.544 -4.284 -15.464 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 -9.684 -4.234 -15.044 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 -10.454 -3.744 -16.254 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -17.241 10.948 -2.676 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -18.051 10.978 -2.166 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -16.591 10.588 -2.066 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 9.213 15.855 1.395 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 8.763 16.345 2.095 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 10.053 15.615 1.785 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 3.518 -2.380 -15.731 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 4.238 -1.750 -15.691 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 2.928 -2.040 -16.401 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -3.131 5.506 15.989 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -3.591 6.336 16.159 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.011 5.486 15.039 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 -3.450 -18.557 -7.115 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 -2.930 -18.477 -6.315 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 -4.090 -19.237 -6.925 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 19.561 4.492 -5.428 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 20.251 5.152 -5.328 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 18.751 5.002 -5.528 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 -19.462 -18.250 2.955 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 -19.282 -18.180 3.895 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 -20.082 -17.540 2.775 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 -25.127 -17.833 5.429 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 -25.187 -18.463 6.139 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 -24.417 -17.243 5.679 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 16.721 15.724 17.012 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 16.881 15.524 16.092 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 16.001 16.364 17.002 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 19.335 -3.580 -3.756 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 19.875 -4.120 -3.166 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 19.945 -2.950 -4.126 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 -4.810 -11.238 2.814 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 -3.940 -10.928 2.564 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 -4.910 -10.978 3.724 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 3.033 -23.437 14.268 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 2.403 -23.557 13.558 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 3.883 -23.647 13.868 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 3.753 -11.773 -11.622 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 4.273 -12.563 -11.782 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 3.733 -11.323 -12.472 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -15.161 5.759 -24.466 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -14.481 6.419 -24.616 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -15.981 6.249 -24.466 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 -14.780 -16.218 18.799 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 -14.450 -16.928 19.359 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 -15.670 -16.048 19.119 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 0.685 5.705 22.345 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 -0.035 6.305 22.555 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 0.265 4.845 22.295 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 5.169 21.139 -11.861 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 4.929 20.229 -12.051 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 4.549 21.409 -11.181 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 -12.338 -9.358 -15.976 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 -12.659 -8.598 -15.496 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 -12.539 -9.168 -16.896 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 13.691 24.992 -10.588 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 14.521 25.392 -10.348 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 13.891 24.072 -10.738 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 17.485 0.083 3.130 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 18.205 0.243 3.740 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 17.885 -0.427 2.430 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 13.993 -7.160 7.539 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 14.043 -6.370 8.079 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 13.083 -7.450 7.609 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -20.936 14.617 24.686 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -21.246 13.947 24.076 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -21.446 14.487 25.476 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 -19.457 -18.028 -7.364 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 -19.987 -18.598 -6.804 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 -18.587 -18.438 -7.354 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 0.829 -21.658 7.425 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 0.089 -21.448 7.975 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 0.899 -20.918 6.815 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 -22.635 -22.970 -23.947 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 -23.325 -22.630 -23.377 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 -22.815 -23.900 -24.017 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 18.224 -17.153 3.436 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 18.514 -17.073 2.526 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 17.284 -17.303 3.366 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 1.724 7.795 -2.275 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 2.044 6.895 -2.265 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 0.994 7.785 -1.655 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 1.775 12.988 -0.305 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 2.445 13.668 -0.325 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 1.185 13.248 0.395 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 -14.413 -2.890 4.497 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 -13.653 -2.870 3.907 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 -15.103 -3.310 3.997 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 -19.167 -7.006 17.045 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 -19.477 -6.456 16.325 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 -19.687 -6.726 17.795 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 20.563 -2.122 22.271 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 19.783 -2.672 22.281 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 20.253 -1.262 22.571 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 2.833 -23.162 -7.338 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 3.563 -22.882 -6.798 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 3.053 -22.852 -8.218 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 18.529 11.151 -23.900 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 19.059 11.841 -23.510 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 18.669 10.391 -23.340 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 13.958 -13.894 -14.161 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 13.888 -14.654 -13.591 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 14.178 -14.264 -15.021 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 3.565 22.344 16.061 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 3.055 23.024 15.601 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 3.055 22.164 16.841 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 10.760 24.683 -22.500 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 10.140 24.223 -23.080 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 11.010 25.463 -22.990 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 22.170 -23.991 -24.178 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 22.770 -24.571 -24.658 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 22.080 -24.391 -23.318 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 6.609 10.002 -19.482 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 7.159 10.732 -19.742 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 6.319 10.222 -18.602 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 12.715 21.649 2.883 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 11.935 22.179 2.763 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 12.765 21.109 2.093 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 -7.592 9.535 8.331 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 -8.472 9.655 8.691 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 -7.692 8.865 7.661 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 17.777 -9.950 10.510 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 17.197 -10.590 10.100 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 18.427 -9.760 9.830 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -15.883 17.031 -17.255 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.053 16.371 -17.925 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -15.583 16.531 -16.495 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -24.031 -1.400 14.203 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -24.151 -1.510 13.263 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -23.201 -1.840 14.393 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 -18.032 -3.561 -19.399 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 -17.762 -3.861 -18.529 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 -18.712 -4.171 -19.659 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 3.668 15.040 22.285 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 2.918 14.670 21.815 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 4.358 14.390 22.175 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 19.525 -19.450 -13.593 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 19.785 -19.720 -14.473 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 20.335 -19.120 -13.203 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 -14.675 -7.201 9.914 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 -14.275 -7.151 10.784 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 -14.975 -8.111 9.834 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 5.744 10.164 -0.935 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 5.604 10.294 -0.005 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 6.694 10.194 -1.045 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 15.330 -18.821 22.939 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 14.510 -19.291 22.819 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 15.640 -18.621 22.059 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 7.160 16.229 15.059 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 6.400 15.659 14.939 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 6.820 17.119 14.919 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.309 11.263 17.037 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 10.729 10.983 17.747 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 12.189 11.243 17.417 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 21.633 -20.461 5.345 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 22.113 -21.211 5.705 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 22.193 -19.701 5.555 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 17.759 2.071 -20.213 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 17.409 1.481 -20.883 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 18.279 2.711 -20.703 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 -21.736 8.041 -6.343 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 -22.176 8.751 -6.813 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 -20.846 8.031 -6.703 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 8.080 12.594 3.230 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 7.970 13.354 3.800 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 7.280 12.084 3.350 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 14.857 -2.515 4.886 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 13.937 -2.615 4.616 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 14.807 -2.315 5.816 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 12.235 18.306 2.801 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 12.535 18.666 3.641 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 12.025 17.396 2.991 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 1.546 17.395 16.485 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 0.636 17.225 16.265 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 2.036 16.965 15.785 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 11.336 7.407 -11.928 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 12.206 7.617 -12.258 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 11.286 6.447 -11.968 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -6.474 5.984 15.901 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -7.424 5.854 15.901 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -6.314 6.674 15.261 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 12.290 19.910 19.336 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 11.710 20.260 20.016 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 12.990 19.480 19.826 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 -21.387 -19.609 -24.338 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 -21.587 -18.969 -25.018 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 -21.947 -19.369 -23.598 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 19.784 -23.231 10.729 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 19.544 -22.401 10.339 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 20.644 -23.071 11.129 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 9.250 -6.994 -7.119 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 9.370 -6.834 -6.179 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 8.790 -7.834 -7.149 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -19.499 -7.117 -6.091 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -19.319 -7.147 -5.151 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -20.449 -7.077 -6.151 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 13.205 -5.259 19.671 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 13.625 -5.349 18.811 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 12.395 -4.769 19.501 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 0.667 -12.845 3.929 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -0.153 -12.855 3.449 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 0.597 -12.105 4.529 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 23.241 23.303 -23.594 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 22.561 23.913 -23.904 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 22.791 22.753 -22.954 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 23.664 22.542 -8.889 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 23.514 23.382 -9.319 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 23.074 21.932 -9.339 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 -4.353 0.811 -2.668 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 -3.893 0.841 -1.828 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 -3.913 1.471 -3.208 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 -15.350 14.242 17.439 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 -14.560 14.022 16.939 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 -16.030 13.692 17.059 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 8.680 5.086 -24.351 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 9.120 4.246 -24.231 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 9.230 5.556 -24.981 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 16.969 -13.551 24.262 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 17.159 -12.841 24.872 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 16.899 -14.321 24.812 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 7.373 -21.682 -16.381 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 6.983 -20.862 -16.681 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 6.653 -22.312 -16.441 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 21.649 11.705 5.110 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 20.819 11.295 5.340 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 22.089 11.855 5.950 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 23.868 13.091 20.259 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 23.608 12.251 20.619 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 23.238 13.721 20.619 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 -2.211 2.710 12.735 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 -2.871 2.070 12.475 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 -2.351 2.830 13.675 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 0.860 -0.445 -15.285 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 1.510 0.255 -15.365 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 0.790 -0.815 -16.175 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 21.533 14.397 20.745 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 20.933 14.347 19.995 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 21.433 13.557 21.185 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 0.540 -3.829 -1.509 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 0.450 -4.759 -1.269 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 -0.240 -3.649 -2.049 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -24.417 3.401 9.183 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -23.977 3.301 8.343 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -24.007 2.751 9.753 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 24.343 7.257 14.396 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 24.063 7.887 15.066 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 25.223 7.547 14.136 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.716 20.379 6.326 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 11.416 19.839 7.056 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.436 19.879 5.946 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.565 18.144 13.488 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.225 17.414 12.968 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.805 18.804 12.838 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.799 1.913 -15.028 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -18.909 1.933 -15.978 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.459 2.523 -14.688 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -5.756 1.291 -23.525 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -6.566 0.951 -23.895 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -5.836 2.241 -23.615 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -6.402 20.056 15.986 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -7.112 20.566 16.376 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -6.222 19.366 16.626 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -19.140 21.730 13.641 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -19.580 22.550 13.871 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -19.700 21.050 14.011 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 1.374 0.301 22.072 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 1.644 1.191 22.312 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 1.124 0.371 21.152 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -6.115 -13.430 21.276 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -5.265 -13.490 21.706 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -5.995 -12.770 20.586 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 -6.273 -17.208 -13.790 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 -6.913 -17.048 -14.480 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 -6.793 -17.368 -13.010 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 21.805 4.753 9.520 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 21.465 5.273 8.790 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 22.745 4.723 9.370 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 7.447 3.534 -2.603 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 7.087 3.554 -3.483 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 7.987 2.744 -2.583 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 9.094 14.203 -23.914 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 9.924 14.223 -23.434 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 8.874 15.123 -24.054 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 9.643 -14.983 -18.508 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 10.153 -14.473 -17.878 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 9.113 -15.563 -17.968 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 21.335 21.489 4.117 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 20.745 22.069 3.627 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 22.205 21.729 3.797 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -0.093 15.262 23.084 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -0.213 15.722 22.254 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 0.767 14.852 23.014 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 22.148 -9.013 13.979 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 22.488 -9.893 14.149 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 22.928 -8.473 13.849 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 -12.313 21.000 -6.818 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 -12.053 20.910 -7.738 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 -12.783 20.190 -6.618 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 2.391 -17.183 4.962 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 1.751 -17.763 4.552 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 3.221 -17.423 4.562 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -21.531 9.831 -8.654 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -21.971 10.681 -8.714 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -21.401 9.561 -9.554 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 -19.501 12.817 16.332 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 -19.261 13.687 16.022 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 -20.441 12.747 16.132 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 -9.232 -2.782 -4.055 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 -8.352 -3.112 -3.875 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 -9.812 -3.372 -3.575 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -24.885 4.787 20.997 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -25.125 5.687 21.197 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -24.185 4.867 20.357 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 -16.321 -13.446 -17.780 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 -15.711 -13.816 -17.150 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 -17.001 -13.036 -17.250 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 -12.715 7.139 -25.076 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 -11.775 7.159 -25.256 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 -12.795 7.429 -24.166 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 -20.535 12.573 -22.811 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 -20.395 13.043 -23.641 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 -19.955 12.993 -22.191 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 11.994 15.298 -19.274 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 12.614 15.958 -18.974 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 11.344 15.238 -18.564 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 20.964 23.663 2.542 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 21.654 23.743 3.192 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 20.564 24.533 2.522 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 -5.791 15.444 15.650 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 -5.821 15.014 16.500 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 -6.291 16.254 15.770 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -0.907 18.864 -10.493 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -0.667 18.104 -9.963 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -1.787 18.664 -10.813 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -2.343 1.188 8.005 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -3.233 0.848 8.145 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -2.303 1.358 7.065 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 4.820 14.038 1.635 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 5.270 14.528 2.325 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 4.830 14.628 0.885 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -0.571 -2.040 4.660 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -0.431 -1.150 5.010 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 0.159 -2.180 4.060 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -2.563 1.532 -13.120 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -3.403 1.342 -13.530 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -2.033 0.762 -13.300 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 1.945 -11.428 -21.151 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 1.885 -12.048 -21.871 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 1.175 -11.608 -20.611 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 -9.849 10.375 -2.315 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 -10.399 11.145 -2.475 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 -9.879 9.885 -3.145 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -7.055 18.228 -22.887 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -7.665 18.028 -23.587 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -6.905 19.168 -22.957 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -21.292 -9.435 7.192 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -21.952 -8.805 6.902 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -20.562 -9.305 6.582 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 -5.840 9.839 -16.300 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 -5.950 9.749 -15.360 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 -6.650 9.499 -16.670 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 -3.954 14.820 9.812 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 -4.174 15.110 8.932 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 -3.084 14.430 9.722 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.094 17.409 19.078 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -10.474 16.949 18.518 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.954 17.219 18.688 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -6.202 19.723 13.023 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -6.402 19.793 13.953 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -7.042 19.863 12.583 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 -13.467 -20.536 -4.358 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 -12.717 -20.696 -3.778 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 -13.427 -21.236 -4.998 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -17.560 -24.504 5.753 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -18.210 -24.474 5.053 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -16.810 -24.004 5.403 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 24.533 8.882 16.681 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 25.343 8.672 17.131 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 24.033 9.402 17.311 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 17.484 18.389 24.606 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 17.304 17.479 24.876 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 16.744 18.889 24.956 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 -8.559 0.171 -3.341 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 -7.669 -0.139 -3.181 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 -9.069 -0.629 -3.471 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 -13.535 -14.978 3.433 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 -12.905 -15.508 2.933 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 -13.595 -15.418 4.273 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 16.190 -0.805 -13.375 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 15.740 -0.895 -12.535 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 15.510 -0.545 -13.995 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 -2.839 20.503 -8.762 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 -2.229 19.803 -9.012 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 -2.999 20.363 -7.832 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 21.611 9.299 -20.488 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 22.311 9.599 -19.898 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 22.071 8.829 -21.178 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 11.751 -14.427 0.150 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 11.271 -14.007 -0.570 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 12.111 -13.707 0.660 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -10.806 1.519 -24.574 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -11.586 1.139 -24.984 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -10.746 1.089 -23.724 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 -23.066 21.854 -21.705 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 -22.226 21.944 -22.155 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 -22.866 22.024 -20.785 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 17.948 -16.994 14.972 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 17.608 -17.814 15.312 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 18.538 -16.684 15.652 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 -13.371 -16.961 0.939 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 -12.621 -17.001 0.349 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 -14.071 -17.421 0.469 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 -16.295 -9.597 11.071 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 -16.925 -10.227 11.421 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 -16.835 -8.867 10.761 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 19.486 -14.578 -7.601 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 19.656 -13.698 -7.271 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 19.036 -14.448 -8.431 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 13.276 -15.428 6.121 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 13.566 -14.518 6.061 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 13.476 -15.808 5.271 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 3.566 5.646 12.015 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 2.836 6.256 12.115 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 4.036 5.956 11.235 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -19.245 11.268 -5.870 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -20.095 11.628 -5.610 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -19.435 10.748 -6.650 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -18.366 -7.315 -3.293 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -17.956 -8.145 -3.553 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -18.026 -7.145 -2.413 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 -17.005 3.763 22.043 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 -17.245 4.653 21.793 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 -16.735 3.843 22.963 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 12.586 -17.977 -12.541 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 11.896 -17.387 -12.221 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 12.116 -18.657 -13.011 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 12.688 17.930 -19.338 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 12.338 17.820 -20.218 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 13.478 18.470 -19.458 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -23.930 15.178 17.548 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -24.480 15.218 18.328 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -23.090 15.548 17.838 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 4.517 -7.432 -4.611 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 5.087 -7.322 -3.851 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 5.077 -7.842 -5.271 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 14.638 14.043 16.667 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 14.278 13.653 15.867 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 15.478 14.413 16.397 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 16.757 11.009 -1.015 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 17.217 10.349 -1.545 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 17.437 11.639 -0.795 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 18.784 18.217 -21.878 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 19.264 18.697 -22.558 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 19.384 18.197 -21.128 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 2.077 -19.022 -11.317 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 1.497 -18.362 -11.707 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 2.907 -18.562 -11.187 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 11.467 -11.784 10.581 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 12.217 -11.344 10.981 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 11.607 -12.714 10.771 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 0.478 -4.325 15.902 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 0.348 -4.975 16.592 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 0.148 -3.515 16.272 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 6.332 20.492 -22.413 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 6.023 19.592 -22.363 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 6.873 20.522 -23.193 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 3.378 18.407 22.669 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 2.428 18.317 22.699 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 3.698 17.587 22.299 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 1.451 -23.125 24.681 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 1.091 -22.585 25.381 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 1.091 -23.995 24.831 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 -12.655 22.265 4.100 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 -12.385 23.045 3.620 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 -13.535 22.075 3.790 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.386 -12.266 11.356 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -21.556 -13.166 11.066 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -20.476 -12.266 11.636 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.460 23.202 -18.045 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -7.540 22.982 -17.855 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.420 24.062 -18.455 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 4.684 -14.107 -22.698 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 4.894 -13.757 -23.558 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 4.624 -15.047 -22.828 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 24.427 7.099 5.536 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 23.767 7.179 4.846 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 24.837 6.249 5.386 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -2.604 -22.627 -24.404 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -2.834 -21.697 -24.334 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -2.814 -22.857 -25.314 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -5.645 -22.507 -8.333 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -5.045 -22.197 -7.653 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -5.455 -21.957 -9.093 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 -22.320 10.996 17.975 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 -22.890 10.346 18.375 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 -22.810 11.816 18.025 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -10.799 9.570 19.242 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -9.979 9.570 18.762 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -10.879 10.460 19.572 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 21.867 -2.487 9.808 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 22.207 -3.157 9.208 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 22.167 -2.757 10.678 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -14.153 -9.665 -23.558 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -13.593 -10.015 -22.858 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -13.733 -9.955 -24.368 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -21.426 -7.598 0.770 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -21.476 -8.518 1.030 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -21.136 -7.618 -0.140 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 4.540 18.615 -4.213 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 4.060 19.305 -4.673 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 5.080 18.205 -4.893 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 13.035 24.394 -6.085 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 13.645 24.064 -5.425 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 13.195 25.334 -6.105 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -20.647 -16.312 -1.884 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -20.057 -16.372 -2.644 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -20.847 -15.382 -1.804 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 -13.547 16.059 16.516 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 -14.207 15.849 17.176 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 -12.877 15.379 16.616 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 -4.705 19.985 -18.048 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 -4.025 19.695 -18.668 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 -4.945 19.185 -17.578 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 8.524 9.081 5.839 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 8.104 8.241 6.039 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 9.284 8.851 5.299 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 16.179 15.964 -6.370 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 17.119 16.114 -6.280 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 16.069 15.644 -7.270 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 -14.716 20.986 13.514 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 -14.866 21.896 13.764 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 -14.486 21.026 12.584 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 6.173 17.021 -6.303 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 6.733 17.081 -5.533 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 6.593 17.571 -6.953 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 -14.560 0.531 2.721 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 -14.280 1.061 1.981 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 -13.810 -0.049 2.901 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 -2.634 -20.645 14.326 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 -2.444 -21.525 14.646 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 -3.564 -20.515 14.526 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 -17.275 4.230 -20.994 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 -16.485 4.020 -21.494 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 -16.945 4.680 -20.214 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 -22.165 16.677 7.502 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 -22.625 16.617 8.332 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 -21.735 15.827 7.402 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 -23.220 17.920 -20.395 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 -23.090 17.080 -19.955 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 -22.780 17.810 -21.235 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 -11.435 -22.349 -2.866 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 -10.845 -22.369 -2.116 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 -10.935 -22.729 -3.586 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 17.481 -15.026 -13.508 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 17.111 -14.146 -13.408 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 18.031 -15.146 -12.728 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -18.249 20.633 6.189 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -18.509 21.183 5.449 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -17.369 20.333 5.959 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 4.344 22.489 2.961 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 5.014 23.109 3.241 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 4.534 21.679 3.441 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 -15.729 -2.455 22.827 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 -15.019 -2.565 22.197 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 -16.499 -2.285 22.287 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 13.503 -23.249 -5.824 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 13.953 -22.499 -6.224 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 14.123 -23.579 -5.184 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 -22.540 -22.899 -15.007 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 -22.870 -23.409 -14.267 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 -23.080 -23.179 -15.747 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 13.412 1.200 0.301 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 13.132 0.400 -0.149 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 13.791 1.740 -0.379 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -3.445 11.220 -2.734 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -2.485 11.250 -2.674 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -3.675 12.040 -3.174 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 11.913 -21.371 11.519 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 12.223 -21.571 12.399 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 11.663 -22.221 11.159 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 18.218 8.984 -2.118 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 19.128 9.014 -2.408 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 17.808 8.334 -2.688 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 9.810 -18.536 -12.055 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 9.780 -19.466 -11.815 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 9.200 -18.116 -11.445 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -14.087 13.843 21.940 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -14.147 14.483 21.240 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -14.697 14.163 22.610 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 19.769 -1.455 17.599 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 20.179 -2.275 17.879 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 20.459 -0.805 17.669 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -23.510 12.122 -9.024 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -23.910 12.992 -8.944 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -24.260 11.532 -9.134 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.787 -19.994 -16.968 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.947 -20.774 -16.428 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.397 -19.364 -16.358 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -16.325 -11.561 14.435 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -17.075 -11.621 13.855 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -15.565 -11.691 13.875 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -2.882 -1.615 22.048 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -2.342 -1.225 21.358 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -2.802 -1.015 22.788 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 7.524 -4.820 23.590 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 6.904 -4.430 24.210 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 8.374 -4.780 24.040 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 -5.509 15.179 20.519 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 -5.589 15.569 19.649 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 -5.179 15.889 21.069 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 3.105 -12.139 20.584 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 3.675 -11.769 19.914 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 3.315 -11.649 21.384 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 -10.640 -18.314 19.045 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 -11.060 -18.614 18.245 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 -10.700 -19.054 19.645 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 15.680 -16.032 -10.818 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 16.500 -16.172 -11.278 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 15.710 -15.112 -10.528 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 -2.157 18.359 5.324 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 -1.297 18.179 4.934 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 -2.407 17.539 5.754 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -11.524 -13.705 -24.064 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -11.234 -13.465 -23.184 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -12.294 -14.255 -23.914 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 -8.912 19.553 -17.244 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 -8.672 20.473 -17.344 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 -8.092 19.113 -17.034 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.084 -24.908 -19.652 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -0.914 -24.898 -18.712 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -2.034 -24.898 -19.722 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 -15.983 -7.773 15.912 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 -16.143 -6.983 16.442 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 -15.673 -7.433 15.072 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -18.177 7.812 18.798 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -17.287 8.092 19.008 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -18.097 6.882 18.598 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 -5.152 -17.954 10.281 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 -4.832 -17.154 10.711 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 -4.362 -18.464 10.121 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 -11.435 -24.332 -8.991 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 -11.005 -23.482 -9.041 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 -10.805 -24.952 -9.351 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 19.625 18.889 3.645 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 19.325 19.759 3.905 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 19.705 18.939 2.685 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -0.433 16.285 -22.263 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -0.923 16.045 -21.483 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -0.133 15.455 -22.633 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 -2.591 6.668 -0.134 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 -2.821 5.748 -0.244 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 -3.091 7.128 -0.804 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -1.147 -7.917 16.676 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -1.117 -8.757 16.226 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -1.437 -7.287 16.016 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 5.911 10.704 -24.519 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 5.441 10.144 -23.899 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 5.281 10.864 -25.219 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 -5.420 3.807 -24.367 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 -4.730 4.457 -24.237 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 -6.110 4.277 -24.847 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 24.978 -21.693 16.359 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 25.618 -21.063 16.699 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 24.678 -21.313 15.529 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 16.560 -7.159 0.669 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 16.170 -6.629 1.379 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 16.100 -6.869 -0.121 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 -4.209 23.237 -0.585 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 -5.129 23.307 -0.325 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 -4.179 23.627 -1.455 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 -9.727 -15.998 2.997 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 -10.477 -16.588 3.077 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 -9.547 -15.958 2.057 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 4.525 3.702 -3.883 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 4.235 2.802 -4.063 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 4.085 3.932 -3.073 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 14.673 -14.011 -19.024 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 15.023 -14.201 -18.154 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 14.773 -13.071 -19.124 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 19.139 -3.809 0.439 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 19.119 -4.249 1.289 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 18.849 -4.469 -0.181 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 5.836 -25.324 -18.761 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 5.586 -24.424 -18.521 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 5.126 -25.634 -19.321 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 6.937 16.334 6.851 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 6.147 16.754 6.521 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 7.307 16.964 7.461 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 23.043 -18.571 12.763 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 23.113 -19.431 13.173 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 22.863 -18.761 11.843 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 0.113 -23.908 -0.567 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 0.403 -23.668 0.313 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -0.817 -23.698 -0.577 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 -16.447 -21.836 -1.889 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 -17.227 -22.376 -2.029 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 -16.477 -21.186 -2.589 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 3.334 1.051 -15.855 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 4.234 0.881 -16.125 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 2.824 0.981 -16.655 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 7.331 -8.736 -3.932 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 7.911 -8.316 -3.292 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 6.551 -8.976 -3.422 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 12.857 -15.214 16.085 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 13.567 -14.694 16.465 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 12.837 -14.964 15.165 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 7.416 11.467 -13.184 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 7.526 11.027 -14.024 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 8.306 11.597 -12.864 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 -8.507 -11.934 17.969 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 -8.527 -11.014 17.699 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 -7.577 -12.164 17.979 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -0.643 -25.221 -3.378 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -0.753 -24.291 -3.548 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 0.107 -25.481 -3.908 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 13.527 -15.189 -1.848 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 12.977 -14.739 -1.198 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 13.207 -14.879 -2.688 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -17.465 -21.965 -25.151 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -17.545 -22.895 -25.391 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -17.765 -21.935 -24.241 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 -10.482 6.830 -6.069 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 -10.352 7.120 -6.969 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 -10.212 5.910 -6.069 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 -13.534 -15.196 13.474 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 -13.794 -15.446 12.594 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 -13.464 -16.026 13.954 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 -17.910 4.655 -16.270 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 -18.440 4.985 -17.000 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 -17.980 3.705 -16.340 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 -10.676 13.599 16.364 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 -10.246 12.849 16.774 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 -10.176 14.349 16.674 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -17.315 -0.302 20.523 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -16.685 0.188 21.053 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -17.525 0.278 19.803 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -3.430 -21.924 -6.499 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -2.890 -22.084 -7.269 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -2.920 -22.284 -5.769 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 -19.922 -16.543 -9.413 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 -20.612 -17.183 -9.623 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 -19.612 -16.793 -8.543 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 23.214 20.249 -0.269 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 23.004 20.429 -1.189 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 22.804 20.969 0.211 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 -14.480 23.626 -7.628 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 -13.560 23.836 -7.778 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -14.900 24.466 -7.458 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 8.980 17.175 -15.124 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 9.410 17.455 -15.934 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 9.200 17.855 -14.484 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 15.430 -21.795 -1.640 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 15.420 -22.525 -1.020 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 14.950 -21.095 -1.200 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 21.959 -7.126 9.647 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 22.619 -7.686 9.247 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 21.119 -7.506 9.387 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 -12.681 7.957 -13.991 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 -12.821 7.507 -13.161 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 -13.531 7.917 -14.431 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 -20.582 1.114 3.191 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 -21.042 0.664 2.471 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 -20.112 1.834 2.761 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 21.925 20.134 -9.974 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 21.335 19.774 -10.644 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 21.745 19.604 -9.194 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 -8.512 -10.956 20.554 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 -8.932 -11.326 21.324 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 -8.772 -11.536 19.834 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 -16.605 21.941 -22.344 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 -17.155 21.751 -21.584 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 -17.145 21.701 -23.094 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -8.791 -2.446 -24.641 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -8.251 -3.116 -25.061 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -9.171 -1.966 -25.371 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -15.435 -14.808 -20.445 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -15.115 -14.548 -19.575 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -16.265 -15.238 -20.265 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 5.412 -8.499 -21.544 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 6.351 -8.639 -21.394 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 5.051 -8.369 -20.664 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -18.999 -13.262 6.046 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -18.349 -12.732 6.496 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -19.839 -12.862 6.276 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 21.963 13.601 -4.141 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 22.493 12.911 -3.741 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 21.263 13.761 -3.521 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -4.032 -11.183 -15.098 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -3.972 -12.113 -14.898 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -4.342 -10.783 -14.288 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -9.425 20.367 -5.568 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -10.125 20.947 -5.258 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -9.875 19.547 -5.788 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 0.701 -10.305 19.361 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 1.201 -10.955 19.861 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 0.741 -10.615 18.461 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 16.029 -0.866 -5.383 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 15.369 -1.236 -5.963 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 15.909 -1.336 -4.553 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 9.453 19.487 -13.924 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 9.183 20.257 -13.434 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 9.963 19.837 -14.664 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 -21.712 22.121 15.327 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 -21.552 22.941 14.847 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 -22.652 21.971 15.237 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 -13.957 -9.641 12.607 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 -13.757 -10.221 13.337 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 -14.907 -9.541 12.637 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 13.725 -17.900 -9.713 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 13.495 -18.390 -10.503 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 14.495 -17.390 -9.953 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 -22.096 2.798 -14.497 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 -22.546 3.628 -14.327 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 -22.766 2.128 -14.407 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 11.255 18.270 -0.691 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 10.805 18.980 -0.231 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 11.215 17.530 -0.091 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 15.368 -22.302 3.095 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 14.568 -22.612 3.525 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 15.908 -23.092 3.005 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 24.504 20.653 8.985 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 25.374 20.373 8.715 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 24.654 21.253 9.705 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 -6.475 4.195 -0.181 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 -6.475 3.995 0.749 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 -6.595 5.135 -0.231 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 -0.425 -14.561 8.657 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 -0.255 -14.741 7.727 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 -0.855 -13.711 8.657 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -23.985 7.959 -23.731 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -23.185 7.539 -23.441 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -24.205 8.579 -23.031 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 8.491 1.160 -1.148 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 8.791 1.610 -0.358 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 9.291 0.840 -1.568 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 17.056 -2.257 19.159 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 17.766 -2.107 18.539 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 16.256 -2.077 18.659 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -4.451 6.481 -15.914 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -4.591 5.721 -16.484 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -5.251 6.991 -16.004 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 5.856 3.088 6.220 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 5.096 3.478 5.790 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 5.696 2.148 6.190 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -16.196 -15.870 9.725 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -16.606 -15.460 10.485 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -16.446 -16.790 9.785 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -20.169 1.207 21.423 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -19.439 0.867 21.943 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -19.759 1.817 20.813 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 -14.826 2.672 7.131 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 -14.256 3.182 6.551 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 -14.286 1.932 7.401 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 12.781 4.797 -20.748 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.931 4.767 -21.178 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 13.261 5.477 -21.218 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 18.940 7.084 19.015 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 18.440 6.874 19.805 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 19.380 7.914 19.215 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 -14.606 -10.035 16.476 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 -15.056 -9.215 16.246 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 -14.916 -10.665 15.826 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -11.701 -7.613 -11.268 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -11.831 -8.423 -11.768 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -11.821 -7.883 -10.348 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 7.488 -18.663 7.632 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 8.108 -18.943 8.302 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 7.038 -17.913 8.032 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -5.742 -10.271 -5.188 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -4.912 -10.351 -5.648 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -5.632 -10.801 -4.398 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 16.265 -10.190 20.426 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 15.535 -9.580 20.506 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 16.135 -10.610 19.576 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 21.654 -9.747 -7.641 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 21.114 -9.057 -8.021 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 21.034 -10.457 -7.451 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 -18.446 -2.758 7.392 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 -19.016 -2.248 7.972 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 -18.026 -3.388 7.972 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -13.840 19.671 2.076 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -13.810 20.221 1.296 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.440 18.961 1.836 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 14.241 13.917 19.431 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 14.191 14.207 18.511 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 14.861 13.187 19.411 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 17.586 -2.131 -1.226 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 18.126 -2.721 -0.696 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 17.106 -2.711 -1.816 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 20.793 6.015 -15.154 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 20.183 6.755 -15.124 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 20.283 5.295 -15.534 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 -10.245 21.730 12.435 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 -10.905 21.290 12.965 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 -10.755 22.250 11.805 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 16.828 -13.268 5.257 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 16.688 -13.988 5.857 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 17.308 -13.648 4.527 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -4.564 5.122 -19.930 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -3.814 5.592 -20.280 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -4.444 4.212 -20.220 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -22.423 12.885 15.736 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -22.963 12.335 15.166 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -22.983 13.635 15.946 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -9.032 -19.992 11.033 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -8.482 -20.742 11.213 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -8.912 -19.412 11.783 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 -16.252 -20.378 -21.618 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 -16.772 -21.108 -21.938 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 -16.892 -19.718 -21.368 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 -4.194 23.464 -19.804 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 -3.314 23.264 -19.494 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 -4.124 23.444 -20.754 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 13.069 -19.689 -6.928 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 13.849 -20.059 -7.338 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 13.099 -18.759 -7.128 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 19.536 -21.137 -3.970 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 18.736 -20.607 -4.000 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 19.556 -21.477 -3.070 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 -8.209 5.633 -17.173 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 -8.469 5.743 -16.253 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 -7.259 5.713 -17.163 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 24.708 18.191 12.419 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 23.848 18.531 12.649 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 24.618 17.901 11.519 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -25.100 14.751 -4.732 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -24.900 14.831 -3.802 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -24.260 14.881 -5.172 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 -20.512 4.065 14.892 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 -21.232 3.685 15.382 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 -20.222 3.355 14.302 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -14.645 -15.791 22.662 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -14.015 -16.501 22.752 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -14.115 -15.001 22.542 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -17.597 -16.200 -19.236 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -17.277 -16.830 -18.586 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -18.277 -16.670 -19.706 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 3.464 -6.378 11.493 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 3.014 -7.208 11.663 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 2.844 -5.858 10.983 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 -3.803 -25.055 -3.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 -4.083 -24.135 -3.163 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 -2.903 -25.065 -3.413 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 -21.714 -14.753 6.137 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 -20.994 -15.183 6.617 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 -21.744 -13.873 6.507 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 13.768 -17.205 -18.897 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 14.478 -16.575 -19.057 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 13.148 -16.735 -18.337 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 11.825 22.335 -24.261 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 12.535 22.445 -24.901 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 11.955 23.055 -23.641 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 9.655 -12.296 8.091 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 10.035 -11.926 8.891 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 10.235 -13.016 7.861 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 -24.725 -8.508 2.969 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 -23.925 -8.188 2.559 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 -24.665 -9.458 2.909 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 16.804 2.364 7.602 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 17.714 2.564 7.802 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 16.574 1.654 8.212 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 5.883 -15.513 18.875 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 6.293 -15.993 18.155 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 5.483 -14.753 18.455 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -9.734 -4.871 -0.845 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -9.654 -5.641 -0.285 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -10.064 -4.181 -0.265 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 -11.469 22.964 9.639 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 -11.489 23.914 9.799 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 -10.549 22.774 9.449 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 7.346 -14.576 -21.139 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 6.926 -14.106 -21.869 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 7.046 -14.106 -20.359 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -16.262 6.192 -13.638 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -16.272 7.072 -13.258 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -16.902 6.242 -14.348 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 -0.954 -0.389 -22.297 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 -0.104 -0.019 -22.547 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 -1.384 -0.579 -23.137 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 24.448 -3.617 24.849 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 25.018 -2.897 24.549 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 24.338 -3.447 25.789 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.069 -13.686 -24.521 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -20.229 -13.366 -24.841 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -21.689 -12.986 -24.731 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 -0.127 -3.253 19.552 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 -0.267 -3.903 20.242 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 0.283 -3.733 18.842 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -2.994 19.380 -15.920 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -3.834 19.470 -15.470 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -3.134 19.810 -16.760 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -4.452 9.005 -8.837 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -5.162 8.385 -8.657 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -3.982 8.605 -9.577 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 -22.029 3.192 -7.721 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 -21.929 3.622 -6.871 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 -22.339 2.312 -7.521 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 15.388 20.645 11.647 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 15.498 21.595 11.587 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 15.228 20.365 10.747 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 3.299 21.932 -17.878 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 2.719 21.222 -18.168 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 3.069 22.672 -18.438 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.140 -20.318 20.269 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -3.180 -21.258 20.449 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.860 -20.158 19.649 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 12.124 15.739 18.248 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 12.994 15.849 18.648 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 12.254 16.019 17.338 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -4.209 8.296 4.215 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -4.759 7.866 3.565 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -3.419 7.746 4.255 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 -1.327 -11.223 -13.205 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 -1.307 -11.033 -14.145 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 -0.407 -11.243 -12.945 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 3.925 -13.705 15.171 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 3.595 -13.035 14.571 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 3.665 -14.535 14.771 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 -17.735 -3.132 -3.647 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 -17.125 -3.082 -2.907 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 -18.145 -3.992 -3.567 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -10.363 -5.447 -24.155 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -11.133 -5.777 -23.685 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -9.753 -5.177 -23.465 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 23.255 -16.857 9.109 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 23.725 -16.707 9.919 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 22.865 -16.017 8.889 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 1.334 4.603 -11.569 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 0.534 4.903 -11.999 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 1.484 3.733 -11.929 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 -23.067 7.315 8.449 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 -23.977 7.445 8.209 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 -22.607 8.085 8.089 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 25.072 15.868 -15.451 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 24.831 15.988 -16.361 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 25.751 16.518 -15.291 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -7.937 18.188 1.606 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -8.217 18.848 0.966 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -7.047 18.448 1.846 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 20.224 -21.851 -1.424 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 20.944 -22.421 -1.694 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 20.524 -21.451 -0.614 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 4.313 17.998 15.505 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 3.383 18.188 15.615 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 4.753 18.838 15.635 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 -9.406 12.268 -5.521 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 -10.106 12.798 -5.151 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 -8.636 12.508 -5.011 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 -20.303 -8.659 -13.311 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 -20.723 -9.199 -12.651 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 -19.613 -8.189 -12.831 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 1.144 -3.019 -24.389 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 1.684 -2.419 -24.899 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 1.484 -3.889 -24.599 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -10.910 -10.127 2.544 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -11.030 -10.317 1.614 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -11.390 -10.827 2.994 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 2.626 6.325 5.367 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 2.196 5.565 5.747 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 2.976 6.805 6.117 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -8.803 -8.149 -6.571 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -8.483 -8.289 -5.681 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -9.513 -8.779 -6.671 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -14.746 -1.406 -19.488 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -15.676 -1.236 -19.348 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -14.656 -2.346 -19.338 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 15.353 22.920 -20.899 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 15.983 23.630 -20.989 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 14.643 23.150 -21.499 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -4.671 2.890 -5.240 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -4.311 2.770 -6.120 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -4.181 3.620 -4.870 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 5.593 1.833 0.687 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 5.533 2.793 0.627 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 5.583 1.533 -0.223 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 -9.550 18.773 5.009 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 -8.960 18.413 4.359 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 -9.680 18.063 5.639 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 -8.565 -18.457 -15.151 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 -8.305 -19.377 -15.211 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 -9.315 -18.457 -14.551 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -3.647 19.751 10.132 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -3.437 20.431 10.772 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -3.357 20.111 9.302 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 13.599 0.209 -13.008 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 13.349 0.799 -13.718 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 13.409 0.699 -12.208 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 14.141 10.836 -19.432 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 14.441 11.636 -19.852 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 14.941 10.436 -19.082 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 16.990 -21.587 19.574 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 16.180 -22.037 19.814 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 17.500 -22.247 19.094 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 18.524 -23.566 2.966 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 17.824 -23.066 2.566 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 19.224 -22.936 3.106 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 -4.126 -22.763 5.041 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 -3.746 -23.613 4.841 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 -4.946 -22.953 5.501 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 17.104 11.505 22.811 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 16.484 11.245 22.131 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 17.864 11.825 22.341 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 14.784 -14.138 9.765 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 13.994 -13.628 9.605 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 15.434 -13.488 10.035 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 0.463 17.782 5.155 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 1.023 17.262 5.745 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 0.853 18.652 5.175 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -2.555 7.348 13.973 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -1.625 7.558 13.973 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -2.985 8.098 13.563 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 15.086 -20.911 5.785 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 15.106 -20.031 5.405 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 14.986 -21.501 5.045 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 -19.724 21.256 17.332 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 -20.194 21.476 16.532 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 -18.834 21.566 17.172 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 -7.921 13.313 22.747 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 -7.791 12.803 23.547 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 -7.041 13.423 22.387 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 -16.104 17.229 -12.092 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 -16.534 18.009 -11.752 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 -16.574 17.039 -12.902 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 20.133 22.409 10.690 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 19.783 23.249 10.990 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 21.083 22.499 10.790 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 -12.436 -12.135 -4.072 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 -13.126 -11.535 -3.812 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 -12.776 -13.005 -3.852 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 13.215 17.173 -22.885 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 13.705 16.353 -22.945 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 12.935 17.353 -23.775 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 14.759 20.487 -3.674 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 14.899 20.547 -2.724 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 15.529 20.017 -3.994 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 -2.177 20.875 4.258 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -2.057 19.955 4.498 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 -3.067 21.085 4.528 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 18.854 -20.660 8.969 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 19.654 -20.280 8.609 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 18.144 -20.270 8.469 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 -9.903 17.525 -24.248 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 -10.663 17.635 -24.818 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 -10.073 18.095 -23.498 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -2.515 2.640 -3.693 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -2.245 3.520 -3.963 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -2.135 2.060 -4.363 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -9.761 -12.788 22.859 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -9.861 -13.528 22.269 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -10.601 -12.328 22.819 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 10.548 -15.612 17.138 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 10.718 -14.692 17.328 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 11.068 -15.792 16.348 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 -10.967 24.661 23.467 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 -11.477 24.381 24.227 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 -11.147 25.601 23.397 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 0.132 21.412 -2.395 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 0.111 22.182 -1.835 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 0.132 21.762 -3.285 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -7.577 14.892 -18.772 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -7.607 13.992 -18.462 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -7.877 14.842 -19.682 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 13.873 15.298 23.119 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 14.303 16.088 23.429 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 14.173 14.608 23.729 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -22.134 -10.472 13.790 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -22.864 -10.122 14.300 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -21.354 -10.262 14.310 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 22.238 -13.812 -8.896 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 21.948 -14.722 -8.876 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 22.438 -13.632 -9.816 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 14.728 5.766 -8.945 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 13.888 6.236 -8.955 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 14.748 5.306 -9.775 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 9.434 -2.192 -21.159 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 9.514 -2.102 -20.209 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 10.184 -2.732 -21.419 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 -13.576 -11.514 -7.500 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 -14.066 -11.284 -8.300 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 -12.866 -12.064 -7.820 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 1.823 15.691 -6.182 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 1.143 15.151 -5.782 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 2.643 15.341 -5.832 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 -10.152 -1.012 23.567 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 -9.332 -0.922 23.077 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 -10.112 -0.322 24.227 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -14.231 -23.547 -22.399 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -14.541 -24.447 -22.549 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -14.411 -23.087 -23.219 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 2.043 1.848 -18.351 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 2.993 1.728 -18.361 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 1.743 1.498 -19.181 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 -11.757 9.561 -0.125 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 -11.217 9.711 -0.905 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 -11.447 10.211 0.515 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 -23.895 -9.223 15.534 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 -24.265 -9.013 16.394 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 -23.935 -8.403 15.044 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 15.223 -17.924 -13.773 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 14.493 -17.494 -13.313 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 15.833 -18.164 -13.073 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 6.817 -13.957 -7.127 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 6.727 -14.307 -8.007 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 7.607 -14.367 -6.787 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 -8.881 -23.147 -2.199 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 -9.491 -23.877 -2.049 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 -8.081 -23.407 -1.749 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -10.773 21.235 25.429 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -11.363 21.885 25.029 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -10.213 20.955 24.709 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 -2.835 -7.561 20.344 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 -3.605 -7.161 20.744 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 -2.095 -7.201 20.824 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 10.980 -18.877 20.732 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 11.840 -18.577 20.462 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 10.400 -18.137 20.532 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -14.770 6.499 16.941 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -15.070 7.389 16.751 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -14.310 6.219 16.151 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 -11.012 24.590 19.467 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 -11.452 24.910 20.257 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 -11.462 23.770 19.267 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 8.386 12.055 -22.407 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 7.676 11.655 -22.917 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 9.046 12.285 -23.057 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 -9.639 -15.775 17.020 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 -10.189 -16.405 16.580 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 -10.239 -15.245 17.560 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 12.158 17.669 23.659 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 12.468 16.809 23.369 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 11.518 17.929 22.999 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -16.256 0.592 -6.798 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -15.336 0.742 -6.998 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -16.256 -0.168 -6.218 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -1.061 16.595 15.729 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -1.691 17.225 16.089 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -1.551 15.785 15.629 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -2.392 -20.744 -8.810 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -2.292 -19.874 -8.410 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -2.772 -20.564 -9.670 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 5.173 -22.453 17.989 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 5.203 -23.363 17.689 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 4.553 -22.453 18.709 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 19.871 24.714 12.212 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 20.741 24.884 11.832 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 19.601 25.554 12.592 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -21.734 14.913 -15.154 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -21.204 15.583 -15.594 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -22.424 14.703 -15.784 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -19.611 -6.915 11.796 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -19.721 -7.795 12.146 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -20.451 -6.485 11.956 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 18.145 -2.891 21.725 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 17.685 -3.091 20.905 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 17.525 -2.351 22.215 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 0.867 -15.187 15.156 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 1.177 -14.327 15.446 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 0.357 -15.517 15.896 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 23.604 21.941 -2.829 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 23.924 22.431 -3.589 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 24.404 21.681 -2.359 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 -3.055 4.537 -7.411 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 -2.125 4.547 -7.641 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 -3.085 4.837 -6.501 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 -10.753 -5.657 18.352 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 -10.023 -5.947 17.812 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 -11.503 -6.157 18.032 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 12.877 -6.897 1.635 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 12.727 -7.837 1.775 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 13.677 -6.707 2.125 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 20.047 -9.143 -14.868 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 20.417 -8.273 -15.028 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 20.257 -9.643 -15.658 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 16.570 16.075 -2.701 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.860 16.045 -3.341 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 16.720 17.005 -2.551 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 -7.140 -22.341 12.042 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 -6.210 -22.571 11.992 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 -7.260 -22.031 12.942 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -19.050 1.472 14.199 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -18.150 1.362 14.489 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -19.460 0.612 14.329 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 17.985 -9.933 1.084 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 17.345 -9.343 0.684 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 18.825 -9.623 0.754 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 8.237 -3.777 -10.429 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 7.967 -2.897 -10.159 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 9.017 -3.957 -9.909 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 7.911 -6.328 13.723 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 7.581 -6.808 14.473 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 8.861 -6.358 13.813 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 -3.491 -9.452 -11.341 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 -2.931 -10.052 -11.821 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 -3.231 -9.562 -10.421 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 -14.442 22.184 -19.138 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 -14.362 21.244 -18.988 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 -15.382 22.334 -19.238 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 13.560 7.005 -0.051 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 13.260 6.115 -0.251 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 14.510 6.955 -0.151 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -25.294 -17.983 -3.110 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -25.344 -18.863 -3.500 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -24.384 -17.733 -3.200 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 16.770 -12.077 -12.045 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 17.160 -12.617 -11.355 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 15.830 -12.137 -11.905 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 19.066 14.227 19.412 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 18.806 13.467 19.922 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 18.276 14.457 18.922 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 -10.024 22.854 -15.639 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 -9.504 22.814 -16.439 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 -10.004 21.964 -15.289 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 -22.519 25.277 -12.954 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 -21.699 24.997 -12.544 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 -23.149 24.597 -12.704 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 10.951 -1.702 -25.341 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 10.711 -1.412 -24.461 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 10.971 -0.892 -25.851 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 -0.162 -17.765 -8.474 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 -0.902 -18.255 -8.114 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 0.518 -18.425 -8.624 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 -2.796 -14.015 25.026 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 -2.356 -13.165 24.966 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 -3.286 -14.085 24.216 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 -4.932 5.368 -12.861 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 -5.392 5.118 -12.061 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 -4.122 5.778 -12.571 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 -12.433 11.730 -6.623 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 -12.863 10.880 -6.613 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 -12.043 11.820 -5.753 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -7.376 11.416 -8.658 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -6.556 11.906 -8.628 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -7.556 11.196 -7.738 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 3.859 -13.259 0.631 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 4.179 -13.539 -0.229 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 3.519 -14.069 1.021 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 8.140 9.847 -8.058 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 7.300 9.437 -7.888 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 8.180 9.947 -9.008 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 21.333 -7.735 -24.978 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 20.873 -7.835 -25.818 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 22.043 -8.375 -25.018 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 21.932 -22.823 2.912 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 22.301 -21.963 3.132 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 22.391 -23.433 3.492 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 10.007 24.305 22.172 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 9.777 23.405 21.922 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 10.667 24.185 22.872 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.360 5.368 -0.433 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 10.530 5.318 -0.893 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 11.190 5.968 0.297 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 21.905 18.138 -7.428 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 21.765 17.188 -7.358 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 22.275 18.388 -6.588 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 7.755 20.442 25.058 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 7.825 19.722 24.418 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 8.085 21.202 24.598 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 10.954 4.475 -9.655 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 10.074 4.865 -9.575 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 11.504 4.995 -9.065 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 -16.679 -14.551 12.226 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 -17.399 -13.921 12.266 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 -16.049 -14.231 12.866 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 -11.073 -19.505 -11.866 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 -11.633 -20.255 -12.066 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 -11.613 -18.965 -11.286 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 -2.887 6.671 7.322 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 -3.177 5.891 7.802 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 -3.537 7.341 7.552 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 21.160 -3.617 18.322 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 21.020 -4.537 18.092 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 21.790 -3.637 19.032 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 -5.785 -23.465 -0.149 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 -5.345 -24.305 -0.029 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 -5.885 -23.385 -1.099 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 -0.591 23.411 22.669 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 -1.071 24.171 22.999 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 -0.061 23.751 21.949 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 -3.643 20.877 -5.923 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 -3.443 21.737 -5.563 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 -3.573 20.287 -5.173 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 15.516 12.637 -15.714 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 15.266 13.547 -15.584 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 15.326 12.207 -14.884 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 20.685 20.308 -13.735 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 21.165 20.988 -14.205 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 21.365 19.758 -13.345 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 -19.884 -5.887 -18.791 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 -19.154 -5.817 -18.171 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 -20.544 -6.377 -18.311 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 3.804 7.764 3.568 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 3.234 8.524 3.688 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 3.364 7.054 4.028 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 9.051 -15.974 -13.043 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 9.831 -15.924 -12.483 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 9.341 -16.464 -13.813 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -9.069 8.823 -19.636 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -9.279 7.893 -19.696 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -8.589 8.913 -18.816 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 22.387 -15.750 23.385 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 22.857 -15.160 22.805 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 22.997 -16.470 23.555 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 2.848 9.307 12.622 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 2.868 8.707 11.882 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 3.348 10.067 12.332 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 -23.952 25.351 -25.421 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 -23.772 24.571 -24.901 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 -24.862 25.571 -25.231 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 3.099 -13.612 7.839 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 3.809 -14.232 7.709 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 2.389 -14.122 8.219 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -14.111 4.485 23.629 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -13.521 4.905 24.259 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -14.981 4.605 23.999 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 -11.417 12.122 20.674 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 -12.337 11.992 20.904 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 -11.157 12.892 21.184 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 3.459 21.565 -0.153 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 3.839 21.885 0.667 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 2.689 22.105 -0.283 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 23.465 10.934 14.369 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 23.045 10.404 13.689 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 23.015 10.684 15.179 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 -6.306 17.440 -16.657 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 -6.066 16.810 -15.967 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 -6.736 16.900 -17.327 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 -21.853 9.983 -18.417 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 -21.743 9.543 -19.257 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 -22.793 10.143 -18.347 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 24.291 -23.185 -14.948 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 24.361 -22.895 -14.048 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 24.761 -22.515 -15.458 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 18.136 13.366 8.919 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 17.356 13.036 9.339 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 18.776 12.656 8.989 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 15.894 -14.015 0.969 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 16.274 -14.885 0.839 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 16.514 -13.575 1.549 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -14.476 4.326 -1.729 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -15.096 3.656 -1.439 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -14.106 4.666 -0.909 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 22.516 -0.975 12.949 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 22.256 -1.615 13.619 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 21.706 -0.515 12.729 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 4.123 -18.599 -13.785 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 3.993 -17.819 -14.325 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 4.823 -18.359 -13.175 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 -0.729 20.665 15.103 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 -1.469 20.865 15.683 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 -0.809 19.725 14.943 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 19.306 -25.094 -0.136 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 18.896 -25.204 -0.996 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 18.756 -24.454 0.314 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 -12.320 -3.132 1.071 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 -12.240 -2.562 0.311 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 -13.020 -3.752 0.841 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -7.184 -24.038 -15.191 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -6.694 -23.948 -16.011 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -6.824 -24.828 -14.791 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 15.335 -9.927 -13.215 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 16.215 -10.317 -13.245 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 14.825 -10.437 -13.845 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -5.507 -19.572 -3.839 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -4.927 -18.862 -4.109 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -6.067 -19.722 -4.609 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 13.418 18.450 10.557 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 13.588 19.250 11.057 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 14.048 17.810 10.897 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.145 -15.617 -8.343 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.805 -16.217 -8.703 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.945 -15.967 -7.473 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 -18.872 -3.120 18.639 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 -18.982 -2.250 19.009 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 -18.472 -3.630 19.349 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 -25.065 -2.160 -9.038 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 -25.925 -2.470 -9.338 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 -24.435 -2.550 -9.638 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 -23.467 -0.540 -1.655 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 -23.517 0.270 -1.155 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 -24.377 -0.770 -1.835 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 -16.009 22.117 -1.171 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 -15.859 22.627 -1.971 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 -15.239 21.547 -1.111 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 22.631 24.911 -6.829 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 22.101 24.921 -7.619 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 22.211 24.261 -6.269 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 4.660 -21.324 7.266 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 4.620 -20.924 8.136 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 5.030 -22.194 7.426 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -4.833 12.090 -11.794 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -5.483 12.630 -12.244 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -4.503 11.500 -12.474 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -3.780 8.720 -21.724 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -3.250 8.710 -20.924 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -3.300 9.300 -22.314 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 18.800 -18.760 19.159 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 18.760 -19.640 19.529 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 19.410 -18.820 18.429 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 -16.547 -7.170 13.242 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 -17.107 -7.900 13.492 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 -17.017 -6.730 12.532 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 1.841 -24.054 -13.671 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 1.501 -23.204 -13.381 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 1.541 -24.674 -13.021 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 18.915 -18.307 -16.841 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 18.135 -17.757 -16.871 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 19.415 -17.977 -16.101 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 3.724 -23.931 4.836 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 3.314 -23.261 4.296 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 3.914 -23.481 5.666 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 1.641 -0.931 -22.561 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 2.531 -1.281 -22.451 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 1.091 -1.551 -22.081 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -8.607 -9.097 24.422 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -9.097 -9.677 25.012 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -8.067 -8.567 25.002 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -17.205 -24.514 8.883 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -17.235 -25.464 8.803 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -18.115 -24.234 8.853 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 15.733 22.734 -12.921 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 16.433 22.654 -12.271 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 15.313 23.574 -12.711 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -4.422 16.891 -19.081 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -4.532 15.941 -19.121 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -5.002 17.171 -18.371 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -4.911 -1.635 18.359 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -4.671 -2.035 17.519 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -5.851 -1.465 18.279 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -25.229 10.371 20.239 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -24.389 9.921 20.329 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -24.999 11.291 20.109 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 -19.782 -16.789 14.164 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 -20.322 -17.089 14.884 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 -19.262 -17.549 13.924 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 -18.505 8.246 -11.345 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 -18.455 9.096 -11.785 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 -17.595 8.026 -11.145 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 9.431 -15.611 11.246 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 9.531 -16.541 11.446 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 9.501 -15.561 10.286 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 11.825 -24.881 -3.224 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 11.455 -24.061 -2.914 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 11.095 -25.341 -3.624 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 -11.867 -17.908 15.485 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 -11.827 -18.388 14.655 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 -12.787 -17.908 15.725 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 -10.176 16.042 11.874 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 -10.866 16.182 11.224 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 -10.466 16.532 12.644 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 11.387 18.029 -12.173 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 12.047 18.709 -12.283 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 10.587 18.419 -12.523 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -9.495 -15.001 -7.885 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -8.535 -15.031 -7.945 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -9.705 -15.621 -7.195 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 1.757 -24.508 17.064 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 0.817 -24.588 16.904 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 2.137 -24.388 16.194 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 -18.324 -22.127 10.694 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 -19.244 -22.017 10.924 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 -18.004 -21.237 10.564 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 7.660 15.048 12.329 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 7.420 15.368 13.199 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 8.340 14.398 12.479 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 -19.945 5.198 -21.131 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 -19.145 4.708 -20.951 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 -19.645 6.098 -21.281 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 14.279 -3.927 -16.913 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 13.999 -3.487 -17.723 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 14.509 -3.217 -16.323 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 3.245 12.954 -17.748 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 3.315 13.204 -18.668 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 2.315 12.764 -17.628 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -5.985 21.344 10.411 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -6.925 21.254 10.251 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -5.935 21.784 11.261 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -14.976 12.082 -10.628 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -14.486 12.282 -9.838 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -15.216 11.152 -10.538 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -11.245 -24.577 15.978 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -12.155 -24.337 15.778 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -10.725 -23.847 15.628 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 12.736 20.238 22.509 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 13.646 20.528 22.559 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 12.606 19.698 23.289 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 15.123 -13.630 21.545 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 14.933 -14.570 21.595 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 15.903 -13.520 22.095 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 -5.536 -2.311 6.582 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 -6.196 -2.601 5.962 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 -4.746 -2.191 6.052 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 23.720 -11.417 15.010 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 24.640 -11.157 14.970 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 23.750 -12.367 15.160 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 -9.576 -17.388 21.309 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 -9.626 -16.438 21.269 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 -9.896 -17.678 20.449 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 15.564 8.103 18.102 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 15.574 7.173 17.852 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 16.104 8.143 18.892 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 18.909 -4.479 14.778 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 18.039 -4.259 14.438 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 18.819 -4.419 15.728 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -0.301 -16.673 -20.608 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 0.129 -17.523 -20.458 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -0.051 -16.433 -21.498 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 -7.350 -16.937 -4.205 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 -7.520 -16.997 -3.265 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 -6.540 -16.437 -4.275 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 -22.336 -11.129 -0.788 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 -22.006 -10.649 -1.548 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 -23.276 -11.249 -0.968 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 6.494 2.135 -22.944 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 6.754 3.055 -22.964 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 5.644 2.115 -23.364 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 17.017 7.835 -13.735 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 17.627 7.285 -13.245 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 16.787 8.535 -13.135 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -10.709 14.208 1.192 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -11.099 14.478 0.362 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -9.939 13.698 0.932 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 12.235 -7.731 -18.734 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 12.605 -7.241 -18.004 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 11.295 -7.721 -18.584 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 21.838 8.381 -0.962 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 20.988 8.811 -0.892 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 22.128 8.581 -1.852 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 1.049 -12.460 10.659 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 0.749 -13.260 10.229 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 1.729 -12.110 10.089 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 11.909 -9.207 21.137 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 12.729 -8.707 21.127 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 11.259 -8.617 20.747 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 8.083 13.509 20.932 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 8.233 14.159 21.612 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 8.313 12.669 21.342 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -19.354 14.503 -3.281 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -18.884 13.703 -3.041 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -19.394 14.473 -4.241 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 -5.831 3.624 17.315 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 -5.341 3.894 18.095 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 -5.801 4.374 16.735 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 -20.514 -18.579 10.836 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 -20.474 -18.899 9.936 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 -20.704 -17.639 10.756 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -23.546 5.784 -5.658 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -22.896 6.484 -5.708 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -24.356 6.224 -5.418 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 4.005 4.346 -13.138 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 3.225 4.366 -12.578 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 3.665 4.116 -14.008 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 0.430 13.297 -21.788 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 1.070 12.657 -21.488 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 -0.390 13.037 -21.378 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -18.134 -20.104 -17.516 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -17.244 -19.774 -17.626 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -18.304 -20.044 -16.576 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -6.174 17.152 -4.622 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -5.484 17.362 -5.242 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -6.394 17.992 -4.212 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 24.281 -0.486 -1.961 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 23.491 -0.646 -1.431 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 23.941 -0.176 -2.801 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -6.701 -20.684 0.791 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -5.841 -20.814 0.401 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -7.141 -21.534 0.681 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -0.279 6.071 -24.649 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 0.651 6.251 -24.499 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -0.569 6.761 -25.239 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 16.863 2.873 0.056 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 17.183 2.983 0.956 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 17.363 2.143 -0.284 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 16.019 -24.525 23.977 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 16.089 -23.595 23.757 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 15.979 -24.975 23.127 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -8.302 -24.965 9.341 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -7.632 -25.365 9.891 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -7.892 -24.175 8.991 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 19.903 0.982 22.047 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 20.763 0.932 21.637 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 19.393 1.552 21.467 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 -3.889 24.476 21.569 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 -4.379 24.926 20.879 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 -4.529 24.316 22.259 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -14.122 22.890 -12.559 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -14.112 23.670 -11.999 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -14.642 22.250 -12.069 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 21.843 17.125 20.795 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 21.773 16.175 20.815 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 21.873 17.385 21.715 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 12.846 -0.491 12.172 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 13.146 -1.361 12.432 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 13.526 0.099 12.492 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -16.446 3.505 -25.378 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -15.816 3.895 -24.778 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -17.206 3.295 -24.838 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 8.667 6.865 19.712 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 8.997 7.405 20.432 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.327 6.945 19.022 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 5.931 7.475 1.748 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 5.991 8.425 1.808 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 5.171 7.245 2.298 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 -11.255 -6.591 -14.454 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 -10.435 -6.581 -13.964 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 -11.225 -5.781 -14.964 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -15.466 -11.807 9.483 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -16.186 -12.377 9.193 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -15.876 -11.207 10.113 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 7.294 -18.165 20.437 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 7.024 -17.855 21.297 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 7.674 -17.395 20.007 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 24.025 22.708 7.621 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 24.465 21.908 7.881 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 23.155 22.428 7.341 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -23.836 -14.286 -3.687 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -24.496 -14.466 -3.017 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -23.126 -13.856 -3.217 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 22.557 15.821 -14.276 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 22.117 15.021 -14.556 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 23.407 15.781 -14.726 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -15.409 -2.979 -8.044 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -14.939 -3.729 -7.684 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -16.269 -3.309 -8.274 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 -10.307 -4.042 20.360 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 -10.547 -4.212 19.450 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 -10.937 -4.532 20.880 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 -15.907 24.551 24.113 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 -15.867 24.571 25.073 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 -15.607 25.421 23.843 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 12.015 4.613 -12.899 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 11.945 4.883 -13.819 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 11.105 4.433 -12.639 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 -9.310 -8.200 4.316 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 -8.960 -9.090 4.266 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 -10.220 -8.290 4.016 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -14.624 7.515 -2.876 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -14.874 6.835 -3.506 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -14.024 7.075 -2.276 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 20.774 7.747 -13.164 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 20.034 7.247 -12.814 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 21.214 7.137 -13.754 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -17.772 2.595 -3.751 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -18.182 2.655 -4.611 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -18.272 3.195 -3.201 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -3.854 1.912 24.361 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -4.704 1.492 24.301 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -3.994 2.672 24.911 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 14.160 -6.667 -21.004 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 14.960 -6.407 -20.544 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 13.460 -6.507 -20.374 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -5.851 12.593 -1.245 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -5.521 13.013 -2.035 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -5.441 13.073 -0.525 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 -13.285 18.312 -10.430 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 -12.535 18.022 -9.910 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 -13.125 19.242 -10.580 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 1.073 20.382 -7.464 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 1.503 20.662 -8.264 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 1.113 19.422 -7.504 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -2.346 -4.113 21.779 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -3.176 -4.203 21.309 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -2.296 -3.183 21.999 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 9.451 4.345 -19.484 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 9.421 3.565 -20.034 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 8.721 4.885 -19.794 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 11.583 11.415 -3.591 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 10.673 11.685 -3.731 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 11.983 11.455 -4.451 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -16.214 11.823 6.181 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -15.504 12.163 5.651 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -15.834 11.683 7.051 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 -4.899 -4.332 -3.215 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 -5.239 -4.762 -4.005 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 -4.629 -3.462 -3.515 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 -9.906 -24.397 -14.918 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 -10.386 -24.097 -15.688 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 -8.986 -24.367 -15.168 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 -13.896 -21.439 13.455 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 -14.816 -21.219 13.305 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 -13.786 -22.319 13.085 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -14.915 -7.234 -24.681 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -14.065 -6.824 -24.511 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -14.825 -8.124 -24.331 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -15.159 9.417 -10.645 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -15.489 8.617 -10.255 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -14.279 9.517 -10.275 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 8.079 10.920 22.401 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 7.169 11.000 22.131 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 8.079 11.170 23.331 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 15.603 9.722 8.966 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 14.803 9.272 9.236 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 15.333 10.632 8.836 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -20.146 6.641 -16.498 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.376 5.721 -16.598 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.546 6.661 -15.758 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 1.317 -17.903 20.699 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 0.417 -17.623 20.519 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 1.407 -18.743 20.249 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 9.780 19.415 1.836 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 10.390 19.025 2.456 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 8.930 19.055 2.086 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 -24.300 7.631 -14.709 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 -24.520 7.581 -13.779 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 -25.110 7.921 -15.129 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 9.107 22.651 5.496 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 8.607 22.051 4.946 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 9.677 22.091 6.016 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 18.956 15.995 -8.984 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 18.086 15.915 -9.374 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 19.466 16.475 -9.644 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 -13.733 16.202 -21.050 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 -13.643 17.152 -21.110 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 -13.033 15.932 -20.470 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -11.437 9.192 -21.141 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -11.787 8.522 -20.551 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -10.487 9.172 -20.981 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 24.595 1.851 16.939 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 25.275 1.921 16.259 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 25.025 2.181 17.729 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 13.436 -5.360 4.549 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 14.136 -4.800 4.879 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 13.466 -6.130 5.119 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 -22.180 -25.227 -20.331 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 -21.270 -25.087 -20.061 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 -22.700 -24.757 -19.681 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 10.908 17.362 -9.254 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 10.638 16.472 -9.474 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 11.088 17.772 -10.094 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -21.187 -16.134 3.760 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -21.677 -15.994 4.570 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -20.277 -15.934 3.980 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -15.260 4.152 -16.017 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -16.140 4.422 -15.747 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -15.290 3.192 -15.987 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -10.185 11.194 -17.684 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -10.925 10.704 -17.334 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -9.805 10.614 -18.344 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 4.206 5.133 18.684 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 3.386 5.253 19.164 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 4.776 4.663 19.294 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -1.452 -10.217 21.577 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -1.202 -9.417 21.117 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -1.412 -10.897 20.907 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 -12.062 -3.057 -3.494 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 -12.282 -3.157 -4.424 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 -12.862 -2.717 -3.094 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -0.497 7.895 -14.107 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -0.577 7.675 -15.037 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -0.267 7.075 -13.687 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 -2.612 20.669 7.519 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 -2.332 21.279 6.839 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 -1.872 20.059 7.609 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 1.041 -20.995 -6.288 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 0.841 -21.655 -6.958 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 1.971 -21.095 -6.118 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 15.035 -22.209 15.585 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 14.565 -22.099 14.755 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 14.755 -21.469 16.115 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 19.355 13.515 12.499 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 19.585 12.715 12.029 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 20.185 13.975 12.609 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -22.994 3.073 6.804 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -22.064 3.213 6.954 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -23.284 3.853 6.324 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 7.506 -14.196 -14.220 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 6.756 -14.786 -14.340 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 7.806 -14.366 -13.320 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 23.178 3.009 -15.461 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 23.978 3.109 -15.981 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 23.428 3.309 -14.581 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 5.251 9.651 -22.057 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 4.391 9.551 -21.657 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 5.851 9.731 -21.317 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -4.571 22.724 12.474 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -4.371 23.594 12.124 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -4.691 22.854 13.414 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 0.547 -25.103 10.262 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 1.247 -25.403 10.842 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 0.997 -24.903 9.432 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -8.619 -14.022 -19.255 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -8.559 -13.762 -18.335 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -7.769 -13.792 -19.625 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -22.295 -10.521 21.692 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -21.775 -10.911 20.992 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -23.185 -10.501 21.362 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 2.265 -20.483 -20.750 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 3.165 -20.763 -20.940 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 1.925 -21.163 -20.170 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -3.179 8.750 -18.165 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -4.009 9.170 -17.955 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -3.409 7.830 -18.295 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 9.751 14.206 -2.736 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 10.321 14.956 -2.566 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 8.861 14.526 -2.606 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -16.557 -1.777 -5.623 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -16.437 -2.257 -6.433 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -17.007 -2.397 -5.043 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 -16.892 17.094 17.438 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 -16.272 17.614 16.928 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 -17.692 17.614 17.448 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.035 11.128 -24.013 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -8.625 11.508 -23.233 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.295 10.788 -24.523 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 17.847 -1.870 -15.311 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 17.367 -1.530 -14.561 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 17.937 -1.120 -15.901 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 -24.765 -6.390 4.997 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 -24.255 -7.150 4.727 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 -25.005 -5.960 4.177 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 21.403 -13.564 20.815 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 21.043 -12.674 20.775 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 21.943 -13.644 20.035 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 -19.035 -0.638 -3.963 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 -18.545 -1.458 -3.973 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 -18.475 -0.018 -4.433 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 14.627 20.209 5.624 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 14.537 21.119 5.904 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 15.477 20.169 5.194 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -12.791 -6.404 16.085 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -12.431 -6.224 15.215 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -13.561 -5.834 16.145 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -13.606 -17.821 4.926 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -13.946 -18.701 5.066 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -13.446 -17.481 5.816 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 15.356 2.089 -16.428 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 14.596 2.389 -16.928 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 15.686 2.889 -16.008 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 6.250 4.254 -16.489 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 6.720 4.144 -17.309 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 6.710 4.964 -16.029 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 -18.145 -23.480 14.659 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 -18.385 -24.380 14.449 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 -18.925 -22.970 14.429 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -13.452 2.744 14.209 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -14.092 2.774 14.919 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -12.722 3.264 14.519 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 -2.063 13.654 -20.973 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 -1.863 13.994 -21.843 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 -2.223 14.424 -20.443 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 15.247 23.511 18.857 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 15.607 24.321 18.507 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 15.217 23.651 19.807 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 21.719 -0.262 20.085 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 21.309 -1.122 19.945 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 22.439 -0.232 19.455 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 20.437 19.740 -23.728 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 20.607 20.580 -24.168 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 20.297 19.120 -24.448 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 7.936 0.231 -3.884 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 8.786 0.671 -3.954 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 8.136 -0.629 -3.534 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 -6.910 13.851 -12.110 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 -7.750 14.301 -12.260 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 -7.110 13.211 -11.420 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 22.885 -22.101 22.113 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 23.335 -22.871 22.453 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 22.815 -22.261 21.173 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 -2.935 -19.733 -22.895 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 -2.355 -20.303 -22.395 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 -2.405 -18.953 -23.075 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -12.995 9.565 -3.881 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -13.185 8.715 -3.491 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -12.205 9.865 -3.421 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 18.518 -23.791 -8.684 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 18.978 -24.631 -8.704 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 17.848 -23.901 -8.014 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 -1.833 -21.226 -18.081 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 -1.853 -21.316 -19.031 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 -1.713 -22.116 -17.751 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 18.651 0.398 -23.072 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 17.971 -0.242 -22.862 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 18.311 0.868 -23.842 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 -7.625 -22.562 -4.926 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 -6.805 -22.872 -5.296 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 -7.775 -23.132 -4.166 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 7.778 19.351 20.070 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 8.358 19.791 19.460 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 7.538 18.531 19.630 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 16.388 23.398 9.551 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 17.298 23.338 9.241 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 16.068 24.218 9.191 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 22.644 -5.541 23.840 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 23.374 -4.961 24.030 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 22.494 -6.021 24.660 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 -1.834 14.254 6.911 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 -1.964 15.134 7.281 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 -2.694 14.014 6.561 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -19.032 -0.947 3.596 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -19.642 -1.457 3.076 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -19.422 -0.067 3.636 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 -11.207 7.591 -16.258 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 -12.007 7.891 -15.828 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 -10.957 6.811 -15.768 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 7.149 -0.550 11.966 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 7.019 -0.970 11.116 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 7.989 -0.890 12.276 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -0.091 -6.459 21.231 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 0.079 -6.449 22.171 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 0.759 -6.289 20.821 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 -1.581 18.357 -23.858 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 -1.151 18.087 -23.048 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 -2.451 18.647 -23.578 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -22.230 -7.689 -14.916 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -22.350 -8.579 -15.256 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -21.360 -7.699 -14.526 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -5.194 12.489 2.019 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 -6.144 12.389 1.969 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -4.914 11.849 2.679 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 2.429 8.698 -19.124 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 2.399 7.918 -18.564 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 1.589 9.128 -18.964 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 -7.895 -24.695 1.168 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 -8.585 -25.075 1.718 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 -8.015 -23.755 1.258 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 -3.271 -24.298 -12.401 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 -3.531 -24.578 -11.521 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 -2.331 -24.478 -12.441 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -2.426 -11.170 4.883 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -2.346 -10.780 4.013 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -3.306 -10.910 5.173 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 12.500 11.205 -6.655 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 12.190 11.415 -7.545 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 12.560 10.255 -6.645 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 4.025 8.780 -5.158 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 4.135 8.360 -4.308 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 3.815 9.690 -4.948 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 22.280 12.511 -9.814 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 23.020 13.111 -9.754 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 21.540 12.991 -9.434 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 -3.766 5.777 -25.284 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 -3.886 6.547 -25.844 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 -3.016 5.997 -24.734 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.896 -19.246 -1.288 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.796 -19.436 -2.218 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -19.846 -18.296 -1.218 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 16.607 -22.682 -17.978 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 16.117 -23.412 -17.598 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 17.437 -22.682 -17.518 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 13.645 -19.668 12.635 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 12.915 -19.168 12.995 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 13.235 -20.248 11.995 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 17.731 23.505 -11.028 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 17.381 22.775 -10.518 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 18.681 23.395 -10.998 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 -22.757 -1.898 -24.325 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 -22.037 -1.828 -23.695 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 -23.437 -1.318 -23.965 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.228 15.067 2.249 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.588 15.387 3.069 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 12.978 14.977 1.669 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 -2.750 17.903 -12.625 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 -3.070 17.353 -13.345 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 -3.080 17.483 -11.835 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 15.061 14.128 4.339 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 14.631 13.298 4.169 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 15.701 13.938 5.029 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 16.125 18.947 21.731 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 17.055 18.727 21.681 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 16.015 19.687 21.131 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 15.224 -2.377 0.484 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 15.944 -1.837 0.804 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 15.194 -2.207 -0.456 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 3.103 -9.578 -0.365 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 2.413 -10.198 -0.615 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 3.163 -9.658 0.585 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 10.941 -14.789 7.516 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 10.961 -15.749 7.576 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 11.851 -14.539 7.396 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 -2.224 8.771 17.584 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 -2.794 9.531 17.484 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 -1.474 9.101 18.074 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 -9.103 -3.364 2.846 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 -9.673 -3.704 3.526 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 -9.673 -2.844 2.276 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 23.937 -16.012 1.256 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 23.497 -16.042 2.106 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 24.547 -16.742 1.266 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 16.426 10.174 4.787 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 16.126 9.404 5.277 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 16.066 10.054 3.917 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 23.437 -18.740 24.547 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 22.927 -18.950 23.757 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 23.467 -19.570 25.027 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 17.177 -23.451 14.465 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 16.307 -23.321 14.835 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 17.347 -24.391 14.565 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 -11.656 -3.302 -6.358 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 -11.056 -3.952 -5.998 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 -12.246 -3.802 -6.928 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -8.989 12.993 10.629 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -9.159 12.213 10.109 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -9.289 12.763 11.509 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 -17.163 -6.039 -14.455 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 -17.443 -6.909 -14.755 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 -17.433 -5.999 -13.545 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 -5.599 -12.900 13.081 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 -5.719 -12.030 12.711 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 -5.329 -13.440 12.341 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -19.531 10.065 20.055 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -18.991 9.395 19.625 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -19.461 10.835 19.485 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 10.437 -14.422 -15.785 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 9.487 -14.402 -15.825 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 10.707 -13.512 -15.925 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 9.591 20.591 -16.998 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 8.861 20.261 -17.508 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 9.751 21.461 -17.348 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 15.575 22.511 -5.828 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 15.155 21.741 -5.458 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 16.245 22.751 -5.188 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 -23.596 -12.594 19.781 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 -24.056 -13.324 19.361 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 -23.406 -11.984 19.071 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 18.996 3.784 -2.124 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 19.526 3.144 -1.634 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 18.136 3.384 -2.184 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 22.963 1.125 1.506 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.613 0.245 1.346 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 23.143 1.145 2.446 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 11.005 -8.735 24.832 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 10.765 -8.125 24.132 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 11.055 -9.585 24.392 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 11.475 4.729 2.337 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 12.275 4.599 1.817 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 11.305 5.669 2.287 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 -1.681 19.610 24.269 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 -2.601 19.460 24.079 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 -1.601 19.530 25.219 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 -17.520 -16.296 19.389 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 -17.690 -17.196 19.669 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 -18.040 -15.756 19.999 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 3.770 -6.583 20.152 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 3.740 -7.273 19.492 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 4.680 -6.563 20.442 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 -11.215 18.160 -8.659 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 -10.955 17.240 -8.789 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 -11.155 18.290 -7.719 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 -24.865 -16.761 -12.518 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 -24.385 -16.331 -13.228 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 -25.785 -16.751 -12.808 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 0.810 20.721 3.463 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 1.170 21.201 2.713 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -0.130 20.911 3.433 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -12.385 18.911 -16.845 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -13.085 18.291 -17.035 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -11.885 18.961 -17.655 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -16.063 8.883 -13.325 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -15.503 9.193 -12.615 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -16.043 9.583 -13.975 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 -14.564 16.367 -4.167 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 -15.474 16.187 -3.937 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 -14.174 16.697 -3.357 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 0.761 24.763 5.455 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 0.041 24.963 6.065 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 0.321 24.543 4.635 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 19.084 -24.152 20.153 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 19.104 -23.232 19.903 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 18.784 -24.142 21.063 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 15.233 -15.244 14.542 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 15.963 -15.604 15.042 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 15.393 -14.294 14.542 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 19.443 11.232 8.328 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 18.993 10.652 8.938 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 18.933 11.162 7.518 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 21.284 -16.846 -24.633 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 21.764 -17.576 -25.033 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 21.024 -16.306 -25.373 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 14.966 -17.980 -3.794 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 15.426 -17.150 -3.644 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 14.326 -17.780 -4.474 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -4.881 6.993 1.863 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -4.111 6.953 1.293 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -5.591 7.243 1.273 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 -14.124 -18.540 -25.399 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 -13.604 -17.770 -25.159 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 -14.334 -18.960 -24.569 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 -6.510 -23.427 -11.785 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 -5.900 -22.707 -11.915 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 -7.380 -23.027 -11.825 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 22.997 7.545 11.659 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 23.857 7.715 11.269 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 23.187 7.345 12.579 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 10.311 0.825 -13.614 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 10.511 1.705 -13.944 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 10.981 0.655 -12.944 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 -12.676 -12.216 11.467 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 -13.446 -11.646 11.417 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 -12.326 -12.226 10.577 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 10.226 -23.587 -6.144 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 10.566 -22.707 -5.954 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 10.986 -24.167 -6.024 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 2.758 -22.244 -9.706 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 3.288 -21.454 -9.776 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 1.968 -22.044 -10.216 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -14.109 -10.037 -13.847 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -15.019 -10.317 -13.857 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -14.009 -9.507 -14.637 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 -21.484 -14.585 -20.147 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 -21.114 -14.395 -19.277 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 -21.974 -15.395 -20.027 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 4.037 23.112 -3.008 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 3.877 22.402 -2.388 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 4.787 22.812 -3.528 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 -14.775 -21.159 -11.114 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 -14.845 -20.289 -10.724 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 -15.355 -21.709 -10.594 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 7.806 -2.598 20.367 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 7.906 -2.418 19.427 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 7.596 -3.528 20.397 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 10.756 -20.310 -22.961 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 10.296 -21.040 -22.561 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 11.206 -20.680 -23.721 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.614 11.124 -11.435 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.164 11.884 -11.815 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -11.514 11.194 -11.755 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -5.629 2.523 9.607 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -5.389 1.733 9.117 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -5.989 2.193 10.427 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 20.093 13.024 1.429 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 20.793 12.364 1.449 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 19.553 12.814 2.189 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 8.141 4.380 14.105 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 7.951 4.270 13.175 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 7.351 4.790 14.455 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 23.227 22.251 -14.573 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 23.477 22.961 -15.173 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 24.047 21.811 -14.373 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -20.649 -10.873 24.923 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -19.889 -10.703 25.483 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -20.479 -10.373 24.123 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -19.000 1.743 24.530 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -18.100 1.433 24.460 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -19.440 1.063 25.050 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 19.501 24.189 -7.491 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 19.641 24.159 -6.541 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 19.281 23.289 -7.731 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 15.481 21.091 17.089 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 16.411 21.291 17.209 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 15.021 21.831 17.479 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -11.393 23.772 -5.732 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -12.173 24.152 -5.332 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -11.703 22.972 -6.142 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 6.329 4.875 -19.898 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 5.989 5.765 -20.008 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 5.579 4.305 -20.058 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.884 4.685 -9.529 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 7.864 5.225 -8.739 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 6.994 4.725 -9.879 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -17.340 -7.012 -0.399 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -16.470 -6.952 -0.789 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -17.280 -6.492 0.401 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -14.384 22.476 16.384 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -13.694 22.526 17.044 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -14.284 21.596 16.004 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -19.736 -16.197 -13.027 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -20.436 -16.207 -13.677 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -20.186 -16.187 -12.177 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -11.046 -18.507 -14.285 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -11.616 -17.757 -14.405 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -11.076 -18.677 -13.345 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 -6.096 -20.611 25.128 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 -6.346 -21.451 24.728 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 -6.056 -20.001 24.388 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -4.775 19.943 20.167 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -5.735 19.953 20.137 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -4.535 19.063 19.887 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 -5.618 -15.031 -5.581 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 -6.269 -14.581 -6.111 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 -4.999 -15.411 -6.211 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 -4.631 -20.090 -1.095 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 -5.331 -20.040 -1.745 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 -4.031 -19.380 -1.315 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -1.880 -3.186 -2.630 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -2.140 -2.336 -2.960 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.270 -3.816 -3.230 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.684 14.437 23.445 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 9.204 13.677 23.685 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.324 15.147 23.345 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -1.312 -17.697 21.852 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -1.822 -18.477 21.642 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -0.552 -18.017 22.322 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 -11.367 4.212 -1.925 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 -12.267 4.122 -2.245 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 -10.947 3.392 -2.165 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -21.277 1.172 -20.639 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -21.007 0.892 -19.769 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.957 0.562 -20.899 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 12.673 -24.665 -17.553 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 11.763 -24.805 -17.283 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 13.193 -24.875 -16.773 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 -21.320 23.687 3.514 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 -21.500 24.007 2.634 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 -20.570 23.097 3.414 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 -14.816 -6.849 -1.408 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 -14.226 -7.609 -1.348 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 -14.406 -6.199 -0.838 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -4.417 18.915 24.580 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -5.117 18.315 24.350 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -4.707 19.335 25.390 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -11.391 6.834 17.670 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -12.211 6.934 17.170 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -11.651 7.034 18.570 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 11.844 6.269 -18.134 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 11.234 5.609 -18.464 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 12.274 6.609 -18.914 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 -24.765 0.726 6.045 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 -24.365 1.576 6.235 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 -24.075 0.096 6.225 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 2.651 5.008 -5.850 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 3.221 4.488 -5.290 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 3.101 5.848 -5.940 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 16.704 9.605 12.989 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 16.854 9.925 12.099 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 17.374 8.935 13.119 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 6.034 -8.820 23.842 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 5.634 -8.930 22.972 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 6.234 -7.880 23.902 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 4.731 2.400 -8.240 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 5.041 1.510 -8.410 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.531 2.900 -8.080 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 5.858 -13.541 2.390 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 5.268 -13.241 1.710 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 5.508 -13.161 3.200 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 -7.941 -2.037 -19.200 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 -7.391 -1.517 -18.620 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 -8.161 -2.817 -18.690 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 20.957 -7.231 15.684 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 21.187 -7.971 15.134 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 20.497 -7.611 16.434 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 5.927 -19.128 -16.465 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 5.647 -18.428 -15.875 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 5.307 -19.108 -17.195 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -19.234 12.349 -19.481 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -18.334 12.179 -19.191 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -19.674 11.509 -19.411 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -20.067 -5.970 19.247 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -20.247 -5.950 20.187 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -20.327 -5.100 18.937 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -23.540 -8.162 -5.979 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -22.820 -7.742 -5.509 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -23.920 -7.472 -6.519 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 14.789 0.269 3.601 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 15.679 -0.071 3.531 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 14.459 0.269 2.701 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 8.835 7.962 -18.559 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 7.915 7.802 -18.349 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 9.245 8.142 -17.709 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -18.420 10.470 15.617 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -17.560 10.500 16.037 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -18.810 11.320 15.817 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -7.512 -17.416 9.008 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -6.792 -17.936 9.358 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -7.442 -16.576 9.458 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 3.398 -7.333 -8.291 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 3.898 -8.053 -7.921 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 2.948 -6.943 -7.531 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 18.849 23.063 19.221 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 19.579 23.653 19.041 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 18.439 23.433 20.001 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 7.751 17.811 -4.401 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 7.391 18.131 -3.571 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 8.381 18.491 -4.661 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 -24.030 -15.401 3.062 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 -23.130 -15.541 3.362 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 -23.940 -14.811 2.312 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 0.059 -12.669 -16.355 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -0.431 -11.849 -16.285 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 0.889 -12.409 -16.745 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -3.860 -14.779 -0.679 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -4.740 -15.009 -0.389 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -3.980 -14.029 -1.259 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 -0.184 13.673 -2.482 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 0.236 13.503 -1.632 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 -0.544 12.833 -2.752 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 18.366 -18.065 -1.791 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 18.016 -18.655 -2.451 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 19.156 -17.705 -2.191 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 6.987 3.722 3.581 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 7.607 3.042 3.831 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 7.237 4.482 4.101 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 15.103 6.334 -21.440 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 15.443 6.044 -20.600 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 14.983 7.284 -21.340 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 -16.722 0.112 17.091 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 -16.742 -0.798 17.401 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 -15.792 0.282 16.931 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 -14.614 -23.676 23.284 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 -14.734 -22.726 23.384 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 -13.934 -23.766 22.634 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 -1.366 10.474 21.805 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 -1.516 10.814 22.695 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 -1.836 11.084 21.235 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -4.793 0.262 20.179 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -4.753 -0.478 19.569 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -5.123 0.992 19.659 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -3.140 14.583 16.426 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -3.490 13.763 16.766 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -3.910 15.073 16.146 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -8.533 -18.532 6.469 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -8.943 -17.772 6.059 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -7.993 -18.162 7.179 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -24.944 -14.343 -17.451 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -24.414 -13.893 -18.111 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -24.644 -15.253 -17.481 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 -23.974 23.644 -23.173 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 -24.904 23.834 -23.083 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 -23.814 22.944 -22.533 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 -6.722 -1.407 -6.235 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 -6.682 -0.477 -6.015 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 -7.642 -1.557 -6.465 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -3.246 15.970 -14.884 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -3.356 16.870 -15.184 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -2.886 15.510 -15.634 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -25.075 -17.882 2.269 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -24.655 -17.402 2.979 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -24.545 -18.672 2.159 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -3.980 -3.016 15.914 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -3.560 -2.246 15.544 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -3.300 -3.416 16.474 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 6.663 14.861 -14.770 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 6.053 15.551 -15.010 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 6.433 14.121 -15.340 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 -12.296 10.559 16.739 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 -11.386 10.729 16.999 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 -12.636 9.999 17.439 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 10.310 11.989 -17.837 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 10.240 12.869 -17.447 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 10.910 12.109 -18.577 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 5.483 -16.838 8.598 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 5.263 -16.878 7.668 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 5.583 -15.898 8.778 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -22.323 23.801 10.157 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -21.493 23.991 9.707 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -22.053 23.341 10.957 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 7.544 -12.792 20.325 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 7.694 -13.332 19.545 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 7.414 -13.422 21.035 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 10.971 -3.602 4.990 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 11.731 -4.102 4.690 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 11.241 -3.262 5.840 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 16.250 4.611 -15.775 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 15.670 5.331 -16.005 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 16.810 4.491 -16.545 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -14.734 9.597 -22.244 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -15.034 9.187 -23.054 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -14.064 10.217 -22.524 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 22.728 10.417 -7.145 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 22.588 11.047 -7.855 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 22.968 10.967 -6.395 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -21.212 -2.900 -0.081 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -20.592 -2.270 0.309 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -21.472 -2.500 -0.911 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 13.321 12.708 -10.180 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 13.621 12.738 -9.270 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 13.661 11.878 -10.510 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 -10.965 -9.719 -5.785 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 -11.765 -9.399 -6.215 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 -11.275 -10.279 -5.075 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 4.094 -5.983 -17.957 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 4.014 -5.453 -18.757 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 3.264 -6.453 -17.907 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 -21.125 -3.235 11.663 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 -21.655 -3.955 11.313 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 -20.235 -3.585 11.703 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 -2.666 -20.060 4.966 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 -1.776 -20.330 4.746 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 -3.126 -20.870 5.166 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 0.468 1.001 16.555 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 1.048 1.601 17.005 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 0.948 0.171 16.525 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -18.377 17.025 8.102 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -18.807 17.095 8.952 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -19.027 17.375 7.482 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 6.493 18.402 -13.225 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 6.963 19.242 -13.235 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 6.893 17.892 -13.925 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 -3.992 -6.541 -2.148 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 -4.572 -7.031 -2.728 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 -4.382 -5.671 -2.098 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 9.916 22.061 2.154 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 9.046 22.451 2.184 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 9.746 21.121 2.104 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 -24.141 15.170 20.119 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 -23.281 15.030 20.519 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 -24.761 15.020 20.829 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 20.819 -15.105 -0.805 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 20.879 -14.795 0.095 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 21.679 -15.485 -0.985 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -4.524 19.273 -23.169 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -4.174 19.743 -22.409 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -5.314 18.843 -22.839 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 22.091 -9.271 -4.435 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 22.161 -9.601 -3.535 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 21.881 -10.051 -4.955 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -5.200 -24.600 14.230 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -6.040 -24.990 13.990 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -5.420 -23.970 14.930 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -4.333 10.181 -0.324 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -4.893 10.891 -0.014 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -3.993 10.491 -1.164 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 24.056 1.577 -18.913 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 24.496 0.727 -18.823 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 23.196 1.437 -18.523 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -24.340 -16.426 17.279 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -24.320 -17.036 18.019 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -23.790 -15.696 17.559 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 18.738 16.633 -17.353 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 18.498 17.453 -16.933 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 19.318 16.883 -18.073 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 7.949 -9.547 -9.012 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 7.269 -10.107 -9.382 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 8.079 -8.857 -9.662 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -15.077 1.511 22.785 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -15.457 1.121 23.575 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -15.717 2.181 22.525 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 2.239 24.076 0.942 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 2.409 24.996 1.152 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 2.729 23.586 1.592 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 21.663 -5.154 -2.907 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 21.973 -5.364 -2.027 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 21.253 -5.964 -3.207 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 16.015 1.194 20.862 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 16.435 1.964 20.472 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 15.975 1.394 21.802 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -2.237 3.704 -0.288 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -2.357 2.984 0.332 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -2.097 3.274 -1.128 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -19.030 6.526 3.180 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -18.320 5.946 2.920 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -19.290 6.226 4.050 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 9.620 -10.917 12.320 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 9.210 -11.507 11.690 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 10.490 -10.747 11.970 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 -16.513 14.020 14.505 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 -15.743 13.990 13.925 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 -16.803 14.930 14.455 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 23.224 -8.569 5.561 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 22.564 -8.649 4.871 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 23.814 -7.889 5.251 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 -18.889 9.142 4.791 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 -18.189 9.122 4.141 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 -19.589 8.622 4.401 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -0.376 4.110 2.681 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -0.926 4.760 2.241 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -0.536 4.250 3.611 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 -7.045 0.372 18.066 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 -7.635 -0.058 18.676 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 -7.385 0.142 17.196 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 -2.762 1.547 1.435 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 -3.682 1.357 1.255 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 -2.792 2.187 2.145 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -9.114 -23.451 -25.455 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -9.184 -23.831 -24.575 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -8.164 -23.441 -25.625 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 16.508 11.469 2.016 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 16.788 12.289 1.606 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 16.828 11.539 2.916 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 21.775 18.823 -17.054 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 21.245 19.563 -16.784 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 21.525 18.123 -16.444 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 -7.606 15.389 -7.332 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 -7.216 15.999 -7.962 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 -8.226 14.869 -7.852 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 9.403 -21.681 1.211 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 10.293 -21.871 0.901 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 9.413 -20.731 1.361 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 -7.034 5.368 9.762 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 -7.884 4.938 9.852 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 -6.394 4.668 9.942 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 -20.574 10.216 -24.848 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 -20.404 9.366 -24.438 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 -20.644 10.826 -24.118 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 12.580 23.459 -21.085 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 12.680 22.749 -20.445 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 11.650 23.649 -21.105 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 -23.001 8.070 -3.910 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 -22.641 8.200 -4.780 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 -23.301 8.940 -3.650 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 24.704 -24.183 5.068 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 25.054 -23.743 4.298 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 25.454 -24.643 5.448 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 -18.857 -8.362 9.025 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 -18.477 -7.502 8.885 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 -19.367 -8.272 9.835 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -7.921 -11.400 -15.054 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -8.831 -11.250 -14.794 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -7.511 -11.760 -14.264 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -19.259 4.680 -7.031 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -19.609 4.870 -7.901 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -18.389 5.080 -7.021 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 -15.269 14.894 24.195 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 -15.149 15.384 25.015 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 -16.209 14.884 24.065 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 -23.887 22.964 -1.499 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 -23.167 22.544 -1.029 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 -23.577 23.844 -1.689 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 -3.232 -17.235 12.472 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 -3.952 -17.685 12.902 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 -3.012 -16.505 13.052 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 5.990 22.908 -0.224 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 6.860 22.948 -0.634 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 6.130 23.238 0.666 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 20.631 10.963 -1.194 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 20.311 11.853 -1.364 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 20.581 10.533 -2.044 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 9.587 3.177 20.636 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 8.947 3.197 19.926 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 9.327 3.897 21.216 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 -4.850 25.294 -24.949 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 -5.080 25.294 -24.019 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 -4.040 24.784 -24.999 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 14.979 -23.460 18.305 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 14.729 -22.650 17.865 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 14.249 -24.060 18.125 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 1.886 20.371 -24.761 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 1.576 19.701 -25.381 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 2.096 21.121 -25.311 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 -20.680 6.171 1.032 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 -20.220 6.421 1.832 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 -20.870 7.001 0.592 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -0.677 -4.630 23.882 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 0.163 -4.180 23.762 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -1.087 -4.620 23.022 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 -15.463 -23.902 -3.445 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 -15.473 -23.132 -2.875 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 -15.993 -23.642 -4.205 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 10.531 -8.225 9.520 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 10.651 -7.505 8.910 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 9.701 -8.025 9.960 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -2.785 -15.169 13.957 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -2.715 -15.679 14.767 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -3.215 -14.359 14.227 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 8.810 -10.787 -2.104 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 9.010 -11.017 -1.194 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 7.990 -10.307 -2.054 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 9.931 -22.991 10.357 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 9.411 -23.631 10.837 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 9.651 -23.081 9.447 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 -21.826 -16.831 -22.589 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 -21.986 -17.751 -22.379 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 -21.006 -16.621 -22.139 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -4.021 20.451 0.823 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -3.991 20.641 -0.107 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -4.941 20.591 1.073 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 -12.216 -6.428 3.903 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 -12.116 -7.178 4.483 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 -13.146 -6.418 3.673 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 13.636 16.409 -12.195 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 12.966 16.439 -12.885 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 13.946 17.309 -12.135 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 -9.187 4.015 21.249 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 -9.457 4.825 20.809 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 -9.057 4.275 22.159 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 15.965 4.706 -23.961 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 15.735 4.536 -24.871 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 15.415 5.446 -23.711 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -10.783 -12.699 -2.061 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -9.953 -12.259 -1.861 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -10.963 -12.449 -2.971 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 23.606 -13.020 -6.124 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 24.556 -13.150 -6.194 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 23.256 -13.430 -6.914 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 17.326 -16.514 -15.734 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 16.476 -16.444 -15.284 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 17.956 -16.174 -15.094 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 6.011 -13.578 25.271 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 6.131 -12.628 25.191 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 5.521 -13.828 24.491 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 -19.136 -4.066 15.875 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 -19.966 -4.326 15.465 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 -19.346 -3.976 16.805 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 13.681 -2.293 -19.151 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 13.941 -2.733 -19.961 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 14.421 -1.723 -18.941 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 -21.063 -17.907 23.626 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 -20.283 -17.407 23.406 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 -21.093 -18.607 22.976 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 16.563 23.964 12.731 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 16.403 24.874 12.481 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 17.393 23.734 12.311 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 20.145 20.093 19.233 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 19.715 20.513 19.983 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 20.835 20.703 18.973 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 5.038 0.571 23.676 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 5.758 0.381 23.066 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 4.858 -0.279 24.086 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 22.106 -25.371 15.349 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 21.876 -24.561 14.899 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 22.806 -25.121 15.949 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 20.090 24.861 5.482 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 20.150 25.811 5.332 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 19.170 24.651 5.282 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 11.820 -12.860 -17.588 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 12.610 -13.400 -17.678 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 12.120 -11.970 -17.798 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 -15.484 -23.011 -19.251 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 -14.704 -22.631 -19.661 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 -16.184 -22.851 -19.881 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 -2.055 -5.281 -4.425 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 -1.355 -5.861 -4.135 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 -1.775 -4.971 -5.285 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 12.826 -13.760 12.025 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 13.646 -13.930 12.485 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 12.156 -14.200 12.555 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -6.302 11.489 7.155 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -5.632 10.999 6.695 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -6.652 10.879 7.795 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -15.426 8.015 -19.709 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -15.946 7.685 -20.439 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -14.766 8.565 -20.109 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -14.743 13.699 -6.286 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -14.213 12.909 -6.366 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -15.593 13.389 -5.996 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 25.031 -15.739 11.455 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 24.441 -15.749 12.215 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 25.441 -14.869 11.495 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 -8.962 13.935 -1.058 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 -9.012 13.655 -1.978 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 -8.562 14.805 -1.098 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 8.160 -9.206 14.312 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 8.150 -8.306 14.012 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 8.990 -9.566 14.002 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -15.715 15.854 19.643 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -15.935 16.504 18.973 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -15.545 15.044 19.153 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -10.406 -9.437 -2.579 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -9.816 -8.707 -2.389 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -9.866 -10.047 -3.089 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 9.339 -1.942 -18.512 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 8.939 -1.852 -17.642 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 9.889 -1.162 -18.602 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 -6.414 -24.873 -2.658 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -5.474 -24.983 -2.798 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 -6.814 -25.583 -3.168 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 -3.194 -13.372 1.885 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 -2.414 -12.832 1.785 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 -3.924 -12.762 1.835 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 -11.403 -17.445 7.589 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 -10.583 -17.495 7.089 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 -11.203 -16.865 8.329 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 -7.137 -12.440 24.559 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 -6.417 -12.280 23.959 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 -7.927 -12.370 24.019 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 12.424 -2.326 -13.619 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 13.034 -2.996 -13.929 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 12.774 -1.506 -13.949 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 2.278 20.075 5.935 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 1.978 20.335 5.065 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 2.288 20.885 6.445 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 -13.919 -10.980 19.006 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 -14.249 -11.720 19.516 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 -14.429 -11.010 18.196 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 4.713 13.297 6.144 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 4.373 12.617 5.554 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 3.943 13.767 6.434 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 9.465 5.257 -12.653 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 9.895 6.067 -12.913 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 8.945 4.997 -13.423 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 19.395 -16.193 -21.057 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 18.525 -16.543 -20.867 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 19.995 -16.773 -20.577 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 25.025 20.783 3.184 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 25.315 19.913 2.904 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 25.045 20.743 4.144 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 22.806 15.902 -21.164 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 23.406 15.962 -20.424 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 22.616 14.972 -21.254 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 7.771 -9.126 10.526 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 7.341 -9.676 9.876 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 8.351 -9.726 11.006 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 16.590 -18.925 -21.795 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 16.680 -18.645 -20.885 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 15.940 -19.625 -21.765 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 12.301 -22.914 -10.278 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 11.541 -23.494 -10.278 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 13.041 -23.494 -10.448 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 21.691 15.273 -6.458 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 21.031 15.593 -5.838 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 22.081 14.513 -6.028 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 9.324 -22.555 -2.178 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 9.804 -22.895 -2.928 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 8.424 -22.465 -2.488 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 -7.022 -16.179 -16.288 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 -7.802 -16.689 -16.058 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 -6.562 -16.729 -16.918 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 -0.497 -22.152 21.835 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 -1.317 -22.642 21.725 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 -0.097 -22.162 20.965 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 8.555 -13.207 -23.681 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 8.985 -13.867 -24.221 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 7.705 -13.077 -24.111 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 -5.196 19.186 -10.008 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 -5.836 19.866 -10.238 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 -4.406 19.676 -9.768 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 21.456 2.246 10.542 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 21.966 2.306 11.342 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 21.566 3.096 10.112 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 20.698 -15.367 -5.074 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 21.438 -15.967 -4.964 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 20.218 -15.707 -5.834 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 -13.272 -14.571 -1.821 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 -13.182 -15.481 -2.121 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 -12.372 -14.281 -1.671 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 -10.920 -12.231 -7.793 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 -10.180 -12.581 -7.293 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 -11.110 -11.391 -7.383 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -17.307 -20.420 17.279 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -17.267 -19.570 16.849 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -16.647 -20.370 17.979 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.199 -7.793 -15.794 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.489 -6.883 -15.704 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -15.799 -8.173 -16.434 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 7.541 -20.581 24.000 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 7.982 -19.751 24.170 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 6.941 -20.391 23.280 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 0.386 23.834 -1.255 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 -0.054 24.354 -1.925 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 1.156 24.354 -1.015 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -3.806 -23.731 -22.168 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -3.306 -23.341 -22.888 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -4.716 -23.541 -22.378 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 12.221 16.166 4.806 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 11.321 16.066 5.106 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 12.741 16.186 5.606 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 10.644 22.096 8.202 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 11.254 22.306 8.902 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 11.174 21.636 7.552 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 -21.964 -14.531 10.302 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 -21.964 -15.191 11.002 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 -21.514 -14.961 9.572 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -17.394 -20.608 -7.736 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -17.454 -21.518 -8.016 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -16.824 -20.188 -8.386 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 9.624 16.040 5.496 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 8.894 15.650 5.976 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 9.244 16.800 5.056 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -5.227 -11.244 -2.158 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -6.057 -11.314 -1.678 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -4.557 -11.274 -1.478 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 -3.800 -14.588 18.963 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 -4.530 -15.158 19.203 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 -3.180 -14.658 19.683 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 2.120 16.531 -14.833 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 1.400 17.071 -14.503 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 2.350 16.921 -15.673 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 -23.784 -23.045 1.312 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 -22.994 -23.135 0.772 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 -24.504 -23.245 0.712 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 1.239 8.623 16.251 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 1.239 7.683 16.071 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 1.679 9.013 15.491 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 0.819 8.965 -8.829 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 1.509 8.305 -8.729 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 0.739 9.365 -7.959 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 -20.157 4.429 -13.325 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 -20.717 3.699 -13.575 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 -19.277 4.149 -13.575 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 16.390 1.395 -9.012 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 16.950 1.195 -9.762 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 16.990 1.655 -8.312 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -17.267 1.510 2.712 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -16.647 0.810 2.502 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -17.447 1.400 3.642 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 -1.007 12.649 9.490 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 -0.357 13.169 9.020 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 -1.317 12.019 8.830 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -2.212 -20.505 0.220 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -3.112 -20.285 -0.020 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -1.692 -20.275 -0.550 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 18.629 -20.718 -8.260 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 18.549 -21.668 -8.350 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 19.339 -20.478 -8.850 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 24.533 23.514 -5.378 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 24.872 23.364 -6.268 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 23.723 23.994 -5.508 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -20.800 -8.279 -2.158 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -20.510 -7.799 -2.938 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -20.000 -8.649 -1.798 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.817 -15.286 -19.300 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.867 -15.916 -20.010 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 22.727 -15.096 -19.080 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -9.625 4.478 -6.892 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -8.775 4.318 -7.302 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -9.705 3.788 -6.232 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 8.193 2.405 16.243 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 8.103 2.875 15.413 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 8.043 3.075 16.913 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -20.803 -12.631 -15.672 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -20.223 -11.921 -15.922 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -20.383 -13.421 -16.002 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -6.650 -13.318 -3.548 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -5.850 -12.868 -3.268 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -6.350 -13.988 -4.158 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 11.087 9.495 -22.018 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 10.657 9.535 -22.868 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 10.977 10.375 -21.658 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 -4.035 -3.053 -13.090 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 -4.115 -3.963 -12.800 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 -4.845 -2.643 -12.790 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 -0.885 -12.165 -5.915 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 0.065 -12.205 -6.015 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 -1.025 -12.145 -4.975 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 -10.056 7.838 -8.800 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 -10.596 7.128 -9.130 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 -9.156 7.578 -9.030 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 25.343 19.905 6.032 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 24.643 20.185 6.622 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 25.673 19.095 6.422 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -10.027 -23.831 -4.801 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -9.977 -24.761 -4.991 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -9.197 -23.471 -5.111 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 -18.830 20.396 -18.238 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 -19.050 21.236 -17.838 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 -17.950 20.206 -17.938 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -7.897 -6.105 15.275 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -8.817 -5.945 15.485 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -7.547 -5.235 15.085 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 12.359 -18.627 -21.046 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 11.589 -18.897 -20.536 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 12.819 -18.017 -20.476 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 -19.132 -9.210 -9.599 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 -18.352 -8.650 -9.629 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 -19.842 -8.630 -9.889 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 12.373 -23.430 20.194 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 12.853 -22.650 19.924 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 12.473 -23.450 21.144 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 24.345 13.320 6.391 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 24.735 14.160 6.171 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 23.685 13.170 5.711 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 -9.648 -6.937 -2.731 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 -9.359 -6.407 -1.991 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 -10.499 -6.567 -2.971 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 -24.146 -7.495 0.622 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 -23.316 -7.015 0.602 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 -24.816 -6.825 0.462 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 -14.302 2.913 -10.962 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 -15.002 2.393 -10.572 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 -14.712 3.363 -11.692 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -1.105 15.572 -9.062 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -0.365 15.052 -8.722 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -1.875 15.202 -8.642 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 4.689 0.395 4.947 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 3.929 0.765 5.407 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 5.069 -0.235 5.557 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 -22.320 9.983 7.668 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 -23.030 9.653 7.118 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 -22.500 10.913 7.758 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -1.485 -17.097 8.995 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -1.205 -16.287 8.565 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -2.045 -17.527 8.355 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 6.308 -23.829 -22.118 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 7.058 -24.249 -22.528 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 6.378 -22.899 -22.368 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -5.042 5.013 -10.181 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -4.832 5.903 -9.901 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -4.532 4.453 -9.591 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 5.401 3.033 20.264 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 5.311 2.733 21.174 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 4.691 2.583 19.804 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 16.198 9.011 -9.028 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 16.818 9.741 -9.038 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 16.708 8.281 -8.678 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 5.859 4.313 -0.584 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 6.109 3.983 -1.454 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 6.629 4.783 -0.274 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 -18.052 -11.938 -10.693 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 -18.702 -12.368 -11.253 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 -18.552 -11.668 -9.923 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 22.904 -2.994 21.012 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 23.204 -2.394 20.322 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 22.194 -2.534 21.442 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.365 4.522 9.442 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 13.905 3.922 10.042 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 15.105 4.852 9.952 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 23.508 -20.263 2.857 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 23.928 -19.423 3.057 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 23.718 -20.413 1.927 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -24.333 -14.317 -22.765 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -25.013 -14.917 -23.055 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -23.543 -14.617 -23.225 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 22.963 -20.880 -23.908 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 22.873 -21.820 -23.808 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 22.073 -20.540 -23.838 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 -7.193 -6.559 3.393 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 -7.763 -6.119 2.773 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 -7.793 -7.009 3.993 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 0.341 -15.178 -18.411 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 0.111 -14.258 -18.301 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -0.189 -15.458 -19.161 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 20.735 17.122 -20.146 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 21.225 16.652 -20.816 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.385 17.692 -19.726 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 -12.074 16.871 21.562 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 -11.754 17.271 20.752 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 -11.474 16.141 21.722 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -18.169 -11.581 7.882 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -17.259 -11.351 7.722 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -18.559 -10.801 8.282 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 7.309 21.553 -7.521 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 6.669 22.263 -7.471 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 7.339 21.203 -6.631 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -11.005 13.992 -4.351 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -10.225 14.492 -4.121 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -11.475 14.542 -4.981 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -17.353 -5.381 -17.371 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -17.333 -5.811 -16.521 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -17.023 -6.041 -17.981 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -3.506 -19.092 -10.969 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -3.246 -19.692 -11.669 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -3.636 -18.252 -11.419 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 12.870 9.623 8.512 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 12.870 9.293 9.412 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 13.140 8.873 7.982 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 9.243 -22.671 23.198 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 8.633 -22.161 23.738 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 8.753 -22.841 22.388 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 22.275 6.894 22.275 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 22.595 7.414 21.535 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 21.455 7.324 22.525 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 21.624 -5.868 13.272 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 20.974 -6.298 12.712 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 21.254 -5.918 14.152 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -1.164 13.359 -13.678 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -0.514 13.459 -14.378 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -1.134 14.189 -13.208 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -20.303 -11.460 -20.752 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -20.543 -11.760 -21.632 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -19.603 -12.060 -20.482 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 -20.125 -22.862 6.109 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 -20.065 -22.932 5.159 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 -19.225 -22.942 6.409 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 -19.321 -14.838 -16.895 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 -19.161 -15.618 -16.375 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 -18.801 -14.978 -17.695 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 5.136 13.424 -24.578 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 5.316 13.934 -23.778 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 4.436 12.824 -24.328 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -5.375 18.636 7.269 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -4.715 19.286 7.489 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -5.345 18.566 6.319 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 13.167 0.739 17.417 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 12.707 -0.031 17.097 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 13.707 1.019 16.677 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 -15.029 -5.947 4.417 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 -15.719 -6.607 4.337 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 -15.059 -5.687 5.347 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 15.915 -4.778 11.023 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 16.195 -4.138 11.683 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 16.235 -5.618 11.353 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 20.225 2.851 4.265 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 20.325 3.341 3.455 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 20.385 1.941 4.015 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 0.810 -18.928 3.651 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 -0.110 -19.148 3.821 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 1.190 -19.738 3.321 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -16.735 -5.277 16.705 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -16.855 -4.327 16.765 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -17.575 -5.607 16.375 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 18.857 -9.585 20.605 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 19.317 -10.215 21.155 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 17.937 -9.835 20.695 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 17.811 -13.035 -20.777 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 17.131 -13.605 -20.437 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 18.051 -12.475 -20.037 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 6.901 -21.816 2.499 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 7.801 -21.686 2.199 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 6.491 -22.326 1.799 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 -16.404 -19.190 14.105 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 -15.634 -18.780 13.705 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 -16.834 -18.480 14.575 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 16.844 -20.109 11.706 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 17.314 -19.439 12.186 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 15.954 -20.089 12.066 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 -14.363 16.304 -0.877 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 -14.553 15.374 -0.987 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 -13.863 16.354 -0.067 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 11.602 13.295 12.402 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 12.531 13.125 12.302 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 11.231 13.155 11.532 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 19.177 -3.851 10.164 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 18.517 -3.171 10.114 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 19.497 -3.951 9.264 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 21.374 -13.636 12.422 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 21.224 -14.226 13.162 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 21.634 -14.216 11.702 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 -13.303 -10.517 -11.159 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 -13.283 -10.457 -12.109 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 -12.693 -11.217 -10.939 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 -20.203 -2.752 -23.570 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 -19.453 -2.882 -24.140 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 -19.873 -2.212 -22.850 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 23.800 23.274 3.472 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 24.450 23.954 3.302 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 24.290 22.454 3.422 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 8.875 24.913 -3.828 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 8.145 25.503 -3.978 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 8.525 24.033 -3.968 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 13.160 7.843 -9.523 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 12.440 8.463 -9.613 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 13.870 8.353 -9.123 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 9.857 -18.762 -15.138 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 8.957 -18.602 -14.848 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 10.307 -19.092 -14.358 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 -15.487 -10.719 -0.904 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 -16.087 -10.269 -1.494 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 -15.697 -11.649 -0.994 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 0.238 -2.137 0.526 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 0.348 -2.717 -0.224 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -0.692 -1.927 0.526 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 23.058 -15.856 13.483 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 22.878 -15.846 14.423 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 23.058 -16.786 13.253 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 14.607 -4.062 -25.418 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 15.077 -3.232 -25.338 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 14.387 -4.302 -24.518 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 13.878 9.684 2.562 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 13.858 8.874 3.072 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 13.618 10.364 3.182 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -21.331 -13.083 15.122 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -20.771 -13.793 15.452 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -20.761 -12.593 14.532 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 4.886 11.021 11.281 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 5.306 11.881 11.381 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 5.496 10.511 10.761 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 12.511 7.090 -15.026 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 13.281 7.050 -14.466 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 12.861 7.050 -15.916 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 -16.066 3.019 9.720 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 -16.086 2.129 10.080 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 -15.586 2.929 8.900 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 -4.569 1.621 16.080 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 -5.269 2.021 16.600 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 -3.949 2.331 15.940 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 11.268 1.567 -7.747 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 11.088 2.207 -7.067 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 11.608 2.077 -8.487 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 16.489 13.921 24.951 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 17.279 14.401 25.211 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 16.809 13.201 24.411 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -21.426 1.903 -23.706 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -20.766 1.323 -23.316 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -21.876 2.293 -22.956 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 8.436 -22.683 14.252 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 7.966 -21.863 14.062 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 9.276 -22.393 14.602 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 15.314 7.495 -16.004 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 15.134 8.425 -16.124 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 15.874 7.455 -15.224 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 -7.416 24.229 -21.014 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 -7.776 23.439 -20.614 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 -6.776 23.899 -21.654 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 22.610 -8.109 21.891 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 23.550 -7.979 22.051 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 22.200 -7.299 22.181 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -10.356 -10.576 11.880 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -10.266 -11.306 12.490 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -10.556 -9.826 12.430 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 -21.674 -18.718 5.445 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 -22.254 -18.428 6.155 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 -20.794 -18.588 5.795 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -8.881 -11.958 14.649 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -9.431 -12.088 15.419 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -8.521 -11.078 14.759 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -17.592 -11.102 -16.187 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -17.622 -10.162 -15.987 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -17.672 -11.532 -15.337 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -16.722 -18.742 23.839 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -17.372 -19.012 24.489 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -15.922 -18.592 24.349 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 4.106 -4.626 -3.708 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.436 -4.986 -2.888 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 4.296 -5.296 -4.368 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.178 -9.757 -20.861 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.148 -10.097 -21.751 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.748 -8.907 -20.911 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 4.741 0.701 -18.457 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 5.651 0.611 -18.757 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 4.421 -0.199 -18.377 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -2.301 -6.999 14.401 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -2.771 -7.199 13.591 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -2.481 -6.069 14.561 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 -18.474 6.570 22.515 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 -18.734 7.420 22.885 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 -19.304 6.100 22.415 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 4.238 -22.075 -13.246 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 3.328 -21.765 -13.216 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 4.618 -21.625 -13.996 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 10.236 2.761 25.305 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 10.956 3.391 25.355 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 10.446 2.211 24.555 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 13.219 -12.279 20.249 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 13.699 -12.749 20.939 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 12.929 -11.469 20.669 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -13.890 23.513 0.452 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -13.700 22.973 -0.318 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -13.380 24.313 0.312 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -8.445 -2.818 -16.545 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -7.605 -2.858 -16.095 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -8.755 -1.918 -16.405 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -22.314 -15.422 24.575 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -21.774 -16.212 24.495 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -21.734 -14.782 24.985 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -12.029 4.642 -16.345 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -12.229 3.982 -15.675 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -12.709 5.302 -16.225 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -12.192 5.399 -20.165 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -11.702 5.509 -19.345 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -13.042 5.039 -19.885 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -21.925 6.151 13.616 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -22.265 5.771 12.806 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -21.425 5.431 14.026 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 -0.060 -10.090 14.492 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 -0.040 -10.890 15.012 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 0.770 -9.660 14.672 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -2.513 -6.750 0.099 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -3.073 -6.820 -0.661 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 -2.623 -5.850 0.399 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 4.501 3.112 13.542 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 4.471 2.712 14.412 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 3.631 3.502 13.432 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 -10.092 -11.453 -25.100 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 -10.632 -11.943 -24.480 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 -9.602 -12.123 -25.580 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 -1.393 -8.152 -17.663 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 -2.213 -8.572 -17.923 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 -1.383 -7.332 -18.163 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 -15.065 23.866 13.438 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 -15.815 24.366 13.128 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 -15.285 23.646 14.348 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 -16.115 24.651 -23.188 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 -17.035 24.661 -22.918 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 -15.755 23.861 -22.778 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -12.190 -7.395 -1.359 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -11.570 -7.215 -0.649 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -11.730 -8.005 -1.929 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 23.220 -11.095 20.816 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 22.680 -11.305 20.056 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 22.800 -10.335 21.206 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 11.965 -0.799 -2.424 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 11.575 -1.519 -2.904 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 12.255 -0.179 -3.094 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 18.454 22.964 7.957 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 18.874 22.124 8.107 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 19.174 23.604 7.997 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 17.196 21.186 -20.065 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 16.436 21.716 -20.335 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 17.016 20.966 -19.155 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 1.763 3.185 17.370 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 1.313 3.935 17.760 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 2.653 3.235 17.720 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.776 7.107 -7.837 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.606 7.637 -7.057 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -6.636 6.207 -7.557 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -19.035 24.683 17.044 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -19.125 25.613 16.874 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 -19.935 24.383 17.214 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 2.659 -0.474 14.573 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 3.099 -0.394 13.723 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 2.879 0.336 15.033 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -5.407 -0.090 -11.164 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -5.907 0.590 -10.714 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -5.787 -0.130 -12.034 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -3.446 -22.815 18.150 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -2.956 -22.665 17.330 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -4.286 -22.385 18.010 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 5.846 12.880 23.167 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 6.716 13.270 23.217 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 5.586 12.730 24.077 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -8.395 8.663 -16.673 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -7.995 7.923 -16.213 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -9.335 8.553 -16.523 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 13.109 -12.420 8.127 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 12.489 -12.110 8.787 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 13.089 -11.760 7.437 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 2.241 -15.372 10.681 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 2.921 -15.902 11.101 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 1.421 -15.722 11.021 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 9.441 11.630 19.461 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 10.131 12.060 19.971 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 8.661 12.160 19.611 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -8.154 -11.775 -1.645 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -8.174 -12.105 -0.745 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -7.764 -12.475 -2.155 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -7.433 3.564 -4.860 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -7.863 2.944 -4.280 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -6.493 3.434 -4.690 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 -2.134 -24.461 3.931 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 -2.214 -23.901 3.161 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 -2.064 -25.351 3.561 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -3.192 -0.908 -19.681 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -3.722 -0.908 -20.481 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -2.292 -0.778 -19.981 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 5.021 -8.725 -11.530 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 4.741 -9.565 -11.160 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 5.621 -8.965 -12.240 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 -18.242 -23.878 -7.935 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 -17.832 -24.738 -7.865 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 -19.172 -24.038 -7.775 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 11.060 -1.143 21.606 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 11.320 -0.393 21.066 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 11.880 -1.513 21.926 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 -4.672 -22.390 -3.528 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 -4.502 -22.030 -4.398 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 -4.662 -21.630 -2.948 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 15.261 14.913 9.140 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 15.821 15.633 8.860 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 14.771 15.263 9.890 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 15.090 -17.839 -24.704 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 14.550 -18.189 -24.004 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 15.120 -18.529 -25.364 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 -14.103 9.754 20.728 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 -14.753 9.394 20.128 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 -14.613 10.264 21.358 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 9.151 -1.234 9.914 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 9.141 -0.974 8.984 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 9.931 -0.794 10.264 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 -23.174 -16.544 20.806 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 -23.494 -16.524 21.706 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 -22.484 -15.884 20.786 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 12.970 -10.381 12.407 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 13.040 -9.471 12.097 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 13.370 -10.361 13.277 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 8.773 -12.430 0.239 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 9.423 -12.960 0.699 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 8.093 -13.060 -0.021 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 -13.121 0.907 -22.772 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 -14.011 0.847 -23.112 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 -12.871 1.817 -22.902 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 -19.006 -16.496 -4.278 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 -18.076 -16.656 -4.118 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 -19.306 -17.276 -4.748 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 11.204 20.420 -8.729 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 11.874 20.370 -8.049 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 10.464 19.930 -8.379 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -7.210 -7.838 18.800 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -7.480 -7.128 18.210 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -6.320 -8.048 18.530 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 20.876 2.478 -12.593 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 21.386 3.288 -12.493 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 20.486 2.538 -13.463 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 -23.479 5.439 -8.534 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 -22.739 4.839 -8.434 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 -23.879 5.469 -7.664 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 14.075 12.430 11.639 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 14.365 11.690 12.159 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 14.665 12.440 10.879 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 18.736 2.540 -25.054 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 18.776 2.960 -25.914 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 18.336 3.190 -24.484 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -25.105 -21.142 9.867 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -25.755 -21.582 10.407 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -24.645 -21.852 9.417 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 1.771 23.494 -12.091 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 1.831 22.554 -12.251 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 2.461 23.674 -11.441 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -5.572 -7.645 -11.130 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -5.902 -7.705 -10.230 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -4.882 -8.305 -11.180 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 -3.433 -14.717 22.112 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 -4.203 -15.267 21.992 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 -2.693 -15.327 22.132 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -22.600 5.105 4.745 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -21.690 5.085 5.045 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -22.760 6.025 4.535 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 17.804 -10.050 -20.188 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.914 -9.100 -20.278 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.924 -10.230 -20.538 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -3.421 -16.647 -23.291 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -4.091 -16.037 -23.591 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -3.911 -17.287 -22.761 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 -14.223 11.713 18.714 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 -14.203 12.643 18.494 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 -13.393 11.373 18.384 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 -24.671 -18.724 11.403 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 -25.071 -17.864 11.483 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 -25.141 -19.134 10.663 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 20.759 22.690 -16.178 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 20.919 23.550 -16.578 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 21.449 22.590 -15.528 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 -22.866 -3.799 3.339 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 -22.336 -3.959 4.109 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 -23.396 -3.029 3.559 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 15.581 7.795 -3.939 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 15.401 7.195 -4.659 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 15.711 8.645 -4.359 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -11.806 -11.021 -0.311 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -11.436 -11.751 -0.831 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -11.966 -10.331 -0.951 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 11.061 3.466 -5.893 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 11.991 3.686 -5.923 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.611 4.266 -6.143 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 3.597 -8.791 22.236 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 2.787 -9.281 22.326 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 3.547 -8.391 21.366 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -12.111 -9.655 24.951 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -11.281 -10.075 25.211 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -12.541 -10.295 24.381 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 18.614 -2.019 -20.847 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 19.334 -2.579 -20.567 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 18.364 -1.539 -20.057 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -17.627 -7.105 -24.641 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -16.747 -7.365 -24.391 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -17.497 -6.465 -25.351 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 -22.821 -10.031 -20.627 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 -22.681 -9.221 -21.117 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 -21.941 -10.341 -20.407 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 -12.753 15.639 -5.935 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 -13.303 16.289 -5.505 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 -13.373 14.979 -6.265 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 7.058 18.305 23.082 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 6.598 17.505 23.352 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 6.458 18.725 22.462 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 12.015 -17.112 -0.173 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 12.925 -17.352 0.007 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 11.955 -16.182 0.047 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 18.403 23.129 -18.950 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 18.093 22.629 -18.190 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 18.013 22.679 -19.700 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 -13.344 9.632 13.711 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 -12.494 9.522 13.271 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 -13.334 10.532 14.021 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 21.360 -19.186 20.611 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 20.770 -18.506 20.281 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 20.890 -19.576 21.351 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -23.197 -24.623 5.826 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -22.387 -24.143 5.706 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -23.097 -25.403 5.286 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -14.006 -0.496 -4.144 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -14.786 -1.026 -4.324 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -14.346 0.254 -3.644 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 21.758 13.208 -25.200 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 22.178 12.408 -25.510 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 21.818 13.148 -24.240 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -6.806 -13.259 2.917 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -6.906 -13.719 3.757 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -6.066 -12.669 3.057 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 -7.976 10.017 -10.905 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 -7.606 10.577 -10.225 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 -8.916 10.177 -10.865 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -7.579 23.690 -6.301 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -7.139 24.550 -6.281 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -7.279 23.290 -7.121 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -20.397 18.848 3.172 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -19.637 19.408 3.072 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -20.537 18.448 2.312 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 9.715 -4.597 -0.804 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 8.885 -4.817 -0.384 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 9.495 -4.407 -1.714 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -19.401 4.035 -1.881 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -20.191 3.535 -2.111 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -18.981 3.515 -1.201 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 14.759 -3.033 17.145 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 14.739 -2.103 16.905 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 13.899 -3.363 16.885 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 -2.891 -10.267 -5.535 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 -2.371 -10.977 -5.895 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 -2.571 -10.167 -4.635 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 8.067 18.918 7.969 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 8.437 18.288 8.589 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 8.737 19.598 7.889 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -3.440 10.790 19.352 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -2.890 10.220 19.892 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -3.810 11.420 19.962 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 -23.587 -2.385 20.726 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 -23.427 -2.405 21.666 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 -22.717 -2.435 20.326 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -8.337 -23.942 -8.528 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -7.517 -23.462 -8.628 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -8.167 -24.792 -8.938 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -9.952 -4.557 8.912 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -9.492 -5.397 8.902 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -9.652 -4.107 8.122 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 13.525 -12.715 24.361 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 13.565 -13.445 23.741 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 12.985 -12.065 23.931 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -13.338 -3.437 -13.751 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 -13.458 -3.257 -14.691 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 -12.409 -3.677 -13.681 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -17.689 -17.719 16.936 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -18.259 -17.069 16.526 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -17.059 -17.199 17.436 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 23.533 4.354 23.631 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.803 3.744 23.561 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 23.333 5.054 23.011 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 2.923 -18.947 -8.440 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 3.373 -18.137 -8.180 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 2.583 -18.767 -9.310 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 4.153 10.884 16.639 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 4.243 11.594 17.269 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 4.313 10.094 17.139 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -19.729 14.824 -21.294 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -20.159 15.664 -21.424 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -20.339 14.314 -20.754 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 -21.552 8.597 -15.035 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 -20.972 8.017 -15.535 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -22.402 8.157 -15.045 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -5.483 -18.472 -17.925 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -5.233 -19.042 -18.645 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -6.423 -18.602 -17.815 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 -16.310 -3.108 -1.331 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 -16.900 -2.358 -1.241 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 -16.650 -3.758 -0.711 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 -2.304 12.721 23.166 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 -2.214 13.571 22.756 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 -2.224 12.891 24.106 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.095 -19.177 12.156 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 9.465 -18.687 12.686 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 10.355 -19.917 12.716 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 8.086 -9.307 -21.164 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 8.816 -8.687 -21.104 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 7.946 -9.417 -22.104 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 3.658 -20.378 -6.079 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 4.448 -19.998 -5.709 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 3.408 -19.768 -6.779 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -20.424 2.143 7.784 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -21.174 2.573 8.204 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -19.724 2.783 7.854 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 8.420 -2.623 -23.939 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 9.360 -2.763 -24.049 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 8.310 -2.463 -22.999 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 8.466 -4.496 -4.724 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 7.666 -4.196 -4.284 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 8.906 -3.686 -4.974 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -24.923 -0.962 16.836 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -25.243 -0.072 16.656 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -24.453 -1.212 16.046 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -2.006 13.461 3.473 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -1.976 13.421 4.433 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -2.176 12.571 3.193 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 11.857 -23.569 23.295 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 10.937 -23.339 23.365 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 12.227 -23.379 24.155 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 -12.638 -23.584 -5.046 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 -11.689 -23.684 -4.986 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 -12.909 -23.334 -4.156 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 -22.431 22.301 12.355 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 -23.221 22.721 12.705 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 -22.741 21.451 12.025 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 -22.662 13.051 -6.498 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 -22.522 12.121 -6.638 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 -23.592 13.191 -6.678 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -9.479 -23.871 11.722 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -8.679 -23.351 11.722 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -9.309 -24.571 11.082 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 22.846 -3.313 -4.841 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 23.726 -3.513 -5.171 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 22.836 -3.633 -3.941 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 8.395 16.915 -23.294 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 9.315 16.945 -23.034 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 8.205 17.805 -23.594 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 -12.114 -19.673 12.812 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 -11.854 -19.493 11.912 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 -13.044 -19.873 12.762 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -5.473 7.493 8.631 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -5.673 6.563 8.681 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -6.293 7.933 8.851 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 4.244 -13.850 -2.815 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 3.294 -13.800 -2.795 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 4.544 -12.990 -2.515 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 -21.627 24.518 14.110 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 -20.967 25.148 13.840 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 -22.427 25.038 14.220 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -24.833 8.715 3.567 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -25.083 8.165 2.827 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -25.073 8.215 4.337 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.886 2.106 -18.504 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -4.816 2.106 -18.694 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.496 2.636 -19.204 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 6.435 0.184 -15.370 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 6.795 -0.096 -16.210 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 7.115 0.734 -14.990 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -22.517 -20.820 -1.472 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -22.277 -21.240 -2.292 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -21.757 -20.280 -1.252 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -23.000 1.123 -5.682 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -22.450 1.273 -4.922 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -23.800 0.723 -5.332 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 -13.027 6.844 -22.265 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 -12.607 6.124 -21.795 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 -13.967 6.694 -22.125 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 4.678 11.196 1.912 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 3.938 10.986 1.342 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 4.698 12.156 1.922 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 -23.722 -13.640 17.329 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 -24.102 -13.330 16.509 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 -23.022 -13.020 17.529 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 -9.113 -18.844 -3.703 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 -8.523 -18.184 -4.073 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 -8.843 -18.914 -2.783 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 16.300 -11.548 17.019 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 17.180 -11.168 16.999 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 15.800 -11.028 16.389 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 5.535 -18.803 -4.948 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 5.755 -18.293 -4.158 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 5.525 -18.153 -5.648 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 19.941 20.360 14.415 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 19.951 20.220 15.365 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 19.941 21.310 14.315 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 1.875 2.465 -13.721 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 1.495 1.645 -13.401 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 2.695 2.205 -14.131 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -20.561 -7.158 4.842 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -21.051 -6.428 5.202 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -21.031 -7.398 4.042 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 -24.083 12.985 -12.482 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 -23.143 12.835 -12.512 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 -24.233 13.415 -11.642 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 13.916 -0.396 20.411 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 13.966 -0.636 19.481 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 14.586 0.284 20.511 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 23.571 1.221 4.480 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 24.401 1.261 4.950 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 23.011 0.671 5.030 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 4.686 11.733 -6.888 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 4.596 10.913 -7.368 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 5.576 11.723 -6.538 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -7.005 11.685 -18.450 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -7.785 12.055 -18.030 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -6.655 11.065 -17.800 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -17.905 24.706 -2.021 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -18.825 24.806 -1.771 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.415 25.146 -1.331 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 22.143 -11.742 25.071 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 22.313 -10.812 24.951 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 22.853 -12.182 24.601 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 10.435 1.831 -3.974 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 10.745 2.321 -4.734 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 11.165 1.861 -3.354 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 15.340 5.950 -18.768 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 15.280 6.870 -18.508 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 16.220 5.680 -18.488 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -23.882 -7.092 19.815 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -24.152 -7.522 19.005 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -24.552 -7.342 20.455 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -13.201 -11.819 -16.553 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -12.791 -11.089 -16.083 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -13.931 -11.409 -17.023 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -24.137 5.223 -15.535 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -23.937 6.093 -15.215 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -25.077 5.243 -15.725 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 -14.904 22.582 19.909 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 -14.174 21.962 19.929 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 -15.264 22.552 20.789 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -4.314 -22.490 10.847 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -4.164 -22.390 9.907 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -3.884 -21.720 11.237 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -16.579 -17.035 -13.480 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -17.169 -16.745 -12.780 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -16.119 -17.785 -13.110 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 22.014 -21.309 -8.991 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 22.724 -20.829 -9.421 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 22.204 -21.239 -8.061 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -6.907 7.553 -14.778 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -6.407 7.163 -14.058 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -7.497 8.163 -14.338 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -1.472 -19.632 -2.409 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -0.722 -19.222 -2.819 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -1.602 -20.442 -2.899 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -15.322 -4.306 7.074 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -14.432 -4.326 7.434 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -15.272 -3.646 6.374 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 -24.281 -5.306 15.656 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 -24.621 -4.746 16.366 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 -24.711 -6.156 15.806 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 18.959 6.475 8.562 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 18.309 5.945 8.092 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 19.649 6.645 7.912 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 -17.499 1.188 5.539 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 -17.129 0.308 5.499 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 -18.099 1.158 6.289 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 -18.185 -6.307 1.901 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 -18.015 -6.587 2.801 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 -18.195 -5.347 1.951 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.574 23.622 6.991 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.844 23.002 6.321 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -16.234 24.322 6.971 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -14.815 -19.088 -0.019 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -15.325 -19.278 -0.809 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -15.475 -19.038 0.681 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 7.898 -6.661 0.309 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 7.868 -6.981 1.209 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 8.548 -7.221 -0.131 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 -0.973 23.394 3.663 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 -1.173 22.604 4.163 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 -1.083 23.124 2.743 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 0.474 12.965 -18.473 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 0.294 12.025 -18.473 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 -0.186 13.335 -17.883 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 11.625 11.731 -20.420 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 12.355 11.261 -20.010 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 11.875 12.651 -20.380 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 9.967 8.970 20.885 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 10.337 9.550 20.215 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 9.547 9.570 21.505 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 -18.399 -11.267 -6.925 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 -18.819 -10.547 -7.395 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 -18.949 -12.027 -7.125 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 10.521 20.330 16.849 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 10.251 21.230 17.059 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 11.141 20.100 17.539 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 13.547 24.370 -25.148 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 14.287 24.530 -24.578 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 13.697 24.930 -25.908 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 -15.335 -22.723 4.901 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 -15.335 -22.373 4.011 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 -14.845 -22.093 5.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 -19.036 -14.393 9.607 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 -19.166 -13.933 10.427 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 -18.586 -13.763 9.037 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -6.657 8.365 19.300 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -6.637 9.045 18.630 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -7.137 7.645 18.900 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 23.145 -11.718 6.941 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 23.315 -11.308 7.791 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 23.795 -11.318 6.361 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 20.994 -23.299 -17.055 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 20.174 -23.139 -16.585 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 21.674 -22.959 -16.475 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 23.675 24.440 -16.033 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 24.195 25.220 -15.803 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 23.485 24.550 -16.963 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -23.296 10.759 5.312 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -24.216 10.559 5.432 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -23.286 11.669 5.022 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 10.804 -19.900 -5.134 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 11.514 -19.960 -5.774 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 11.244 -19.890 -4.284 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -4.455 -21.428 8.163 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -3.555 -21.148 8.353 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -4.505 -21.448 7.213 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 -14.895 18.650 -22.780 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 -14.865 17.700 -22.880 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 -14.005 18.940 -22.960 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 6.851 -7.147 18.945 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 6.671 -6.687 19.765 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 6.881 -8.077 19.205 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 22.027 19.563 6.212 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 21.737 19.873 5.352 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 22.687 18.893 6.022 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 7.657 -16.679 -17.235 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 6.997 -17.349 -17.035 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 7.157 -15.939 -17.575 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 9.464 -1.991 -14.811 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 8.734 -1.661 -14.281 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 10.244 -1.741 -14.311 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -13.853 -24.055 15.679 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -13.923 -23.105 15.679 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -14.683 -24.355 16.059 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 12.977 8.025 -19.911 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 13.587 8.725 -19.711 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 12.387 8.405 -20.561 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 20.329 2.741 18.265 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 20.239 2.501 17.345 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 21.229 3.061 18.345 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 21.887 -15.024 -12.488 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 21.817 -15.974 -12.648 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 22.487 -14.954 -11.748 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 10.271 0.183 -17.001 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 10.341 -0.287 -16.171 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 11.121 0.063 -17.421 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 0.763 -3.259 -21.795 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 0.773 -3.099 -22.735 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 -0.167 -3.229 -21.555 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 16.346 20.593 19.632 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 16.046 20.513 18.722 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 16.666 21.493 19.712 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 5.949 7.772 22.740 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 5.269 7.802 22.060 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 6.019 6.852 22.970 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 12.105 -19.222 9.692 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 12.685 -19.842 9.252 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 12.025 -19.572 10.582 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 -22.042 -23.324 3.611 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 -22.712 -23.274 2.931 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 -21.762 -22.424 3.741 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 7.778 -11.904 -11.650 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 8.668 -11.994 -11.980 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 7.308 -11.444 -12.340 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 3.900 18.114 8.679 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 3.730 17.384 9.289 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 3.490 18.874 9.099 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 24.066 3.139 0.182 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 23.486 3.899 0.202 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 23.496 2.389 0.352 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 7.368 9.935 10.671 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 7.748 9.795 9.811 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 7.908 9.385 11.261 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 2.215 -14.378 22.142 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 2.855 -14.958 21.732 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 2.035 -13.708 21.472 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 3.918 23.726 -20.148 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 3.758 24.376 -20.828 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 3.978 22.896 -20.618 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 20.610 16.109 16.142 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 20.810 16.869 16.682 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 20.100 15.539 16.712 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 -2.465 10.490 1.939 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 -2.755 10.350 1.039 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 -1.515 10.570 1.869 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 4.159 -1.656 16.697 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 5.039 -1.406 16.417 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 3.569 -1.046 16.247 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -18.512 -15.139 4.027 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -18.902 -14.489 4.597 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -17.682 -14.739 3.737 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 18.089 6.663 -11.284 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 17.169 6.393 -11.374 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 18.479 5.983 -10.724 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 0.165 24.422 -8.661 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 -0.235 23.672 -9.091 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 0.725 24.822 -9.321 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 10.825 -11.836 -12.494 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 11.295 -12.626 -12.234 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 11.045 -11.716 -13.424 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -0.281 1.647 10.459 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -0.891 2.057 11.079 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -0.831 1.367 9.729 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 20.226 -18.761 16.575 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 19.746 -19.331 15.985 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 21.146 -19.021 16.465 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 24.706 10.260 0.781 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 24.836 9.990 -0.129 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 25.136 9.580 1.301 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -22.731 19.260 9.634 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -22.681 20.160 9.314 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -22.191 18.760 9.014 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 -6.849 23.222 20.469 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 -7.109 22.432 20.949 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 -6.589 23.832 21.159 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 -17.103 6.711 -0.979 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 -18.033 6.501 -0.959 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 -16.703 6.011 -1.499 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 -6.411 -3.409 -11.134 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 -6.021 -4.249 -11.374 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 -6.331 -3.369 -10.184 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 -14.846 -4.701 11.861 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 -15.646 -4.521 11.381 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 -14.246 -5.051 11.211 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 20.934 18.609 10.109 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 21.294 17.899 9.579 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 21.564 18.719 10.829 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 23.020 13.850 15.948 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 23.960 13.970 16.078 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 22.720 14.710 15.658 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -6.555 -3.696 1.900 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -7.375 -3.426 2.330 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -6.045 -4.106 2.600 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 -0.862 -13.088 -19.691 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 -1.192 -12.848 -20.551 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 -1.612 -12.948 -19.111 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 19.919 6.336 11.272 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 20.859 6.226 11.112 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 19.529 6.286 10.402 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 25.159 21.511 17.813 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 24.539 22.091 17.373 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 25.509 20.961 17.113 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 13.418 19.906 0.821 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 13.268 19.606 -0.079 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 13.038 19.216 1.361 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -24.161 1.385 14.743 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -24.471 0.655 14.193 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -23.211 1.405 14.593 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 -16.825 8.793 23.056 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 -15.885 8.623 23.086 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 -16.945 9.383 22.316 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 6.307 -5.952 21.481 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 5.707 -6.552 21.931 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 6.957 -5.722 22.141 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 12.416 15.489 7.914 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 13.316 15.799 7.894 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 12.456 14.609 7.534 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -12.535 9.431 -9.157 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -11.745 9.471 -9.677 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -12.235 9.211 -8.277 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 13.689 -1.584 14.921 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 14.089 -2.354 14.501 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 12.969 -1.954 15.431 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 -22.812 19.671 13.001 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 -23.662 19.331 12.741 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 -22.342 18.911 13.361 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 14.798 14.939 -23.208 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 15.148 14.469 -23.958 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 15.568 15.229 -22.718 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -18.506 17.733 10.654 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -18.406 16.863 11.054 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -18.316 18.343 11.374 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 -13.324 -1.979 -22.138 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 -13.694 -1.239 -21.658 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 -13.784 -1.989 -22.968 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 10.241 10.022 11.468 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 10.641 9.152 11.418 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 10.521 10.362 12.318 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 4.464 18.405 -22.265 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 3.684 18.935 -22.065 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 4.554 18.475 -23.215 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 -17.380 3.529 14.999 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 -18.070 3.059 14.529 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 -17.830 3.889 15.759 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 -2.161 -5.701 -10.403 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 -3.081 -5.921 -10.543 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 -1.771 -5.761 -11.273 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 -24.267 24.611 8.702 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 -24.387 23.721 8.372 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 -23.677 24.511 9.452 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 -20.806 8.288 -0.798 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 -20.446 7.578 -1.328 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 -20.066 8.578 -0.258 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 9.886 -18.670 1.065 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 9.806 -17.720 1.115 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 9.956 -18.860 0.125 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 -12.333 2.226 22.586 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 -13.083 1.656 22.416 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 -12.713 3.106 22.686 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -13.311 -12.007 2.616 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -12.941 -12.717 3.146 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -13.641 -12.437 1.826 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 17.030 11.135 -18.631 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 16.770 11.225 -17.711 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 16.770 11.965 -19.031 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 2.799 -10.798 16.184 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 2.629 -10.658 15.244 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 3.059 -11.718 16.234 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -1.955 2.076 18.689 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -1.925 1.196 18.299 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -1.865 1.926 19.629 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 11.556 23.659 -13.162 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 11.556 23.239 -12.302 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 12.406 24.099 -13.202 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -9.896 24.105 -10.689 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -10.186 23.465 -11.339 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -9.836 24.935 -11.169 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 6.395 -0.231 -7.419 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 5.685 -0.771 -7.769 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 7.165 -0.781 -7.469 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 2.414 0.594 -3.965 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 3.364 0.474 -3.925 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 2.114 -0.066 -4.585 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 -3.224 11.332 -16.173 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 -3.684 11.972 -15.633 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 -3.634 10.492 -15.963 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -25.265 22.219 -17.102 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -25.005 23.099 -17.352 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -24.455 21.709 -17.152 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 12.975 -11.410 -14.439 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 13.265 -12.190 -13.959 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 12.265 -11.720 -14.999 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 -21.221 -8.757 19.655 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 -21.881 -8.967 20.315 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 -20.991 -7.837 19.825 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -9.767 -16.469 -19.158 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -9.587 -15.539 -19.018 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -8.957 -16.919 -18.918 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 10.991 -18.364 7.481 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 10.271 -18.984 7.511 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 11.551 -18.604 8.211 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.015 -20.018 13.831 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 6.545 -19.188 13.801 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 6.775 -20.398 14.671 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 -0.739 -11.741 17.143 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 -0.319 -12.601 17.143 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 -1.359 -11.781 17.873 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 -24.013 -2.644 -17.031 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 -23.733 -3.314 -16.401 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 -23.433 -1.904 -16.881 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 23.886 -14.874 17.059 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 24.756 -15.144 16.749 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 23.876 -15.134 17.979 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 2.980 -15.908 -18.179 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 2.180 -15.698 -17.689 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 2.930 -15.348 -18.959 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 2.319 15.654 3.137 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 1.509 15.344 2.717 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 2.979 15.014 2.867 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 -11.142 5.048 -8.929 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 -10.492 4.718 -8.329 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 -11.382 4.298 -9.479 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 -11.065 -24.093 -18.138 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 -11.875 -24.443 -18.508 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 -10.365 -24.443 -18.698 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 13.787 6.739 7.515 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 13.297 6.249 6.855 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 13.897 6.119 8.235 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 11.314 16.921 -3.162 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 10.974 17.531 -2.502 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 11.424 17.451 -3.952 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -21.093 -2.765 -11.886 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -21.313 -3.685 -11.986 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -21.033 -2.625 -10.936 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -19.445 -10.891 -18.165 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -18.755 -11.521 -17.995 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -19.895 -11.231 -18.935 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -22.764 -1.275 23.452 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -22.664 -1.345 24.392 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -23.084 -0.385 23.312 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 19.180 9.005 -15.771 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 19.540 9.735 -16.271 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 18.820 9.415 -14.971 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -18.241 -22.616 -21.176 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -18.281 -23.436 -20.686 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -19.041 -22.606 -21.706 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -5.530 15.272 -0.167 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.780 15.182 0.753 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -6.370 15.352 -0.637 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 -8.683 -21.259 -11.948 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 -9.253 -20.529 -11.728 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 -7.953 -20.859 -12.428 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -6.605 -23.492 24.266 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -5.915 -23.952 24.746 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -6.515 -23.792 23.366 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -13.866 -12.333 13.852 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -13.776 -13.243 14.142 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -13.236 -12.233 13.142 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 8.924 -4.856 15.855 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 8.404 -5.536 16.285 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 9.164 -4.246 16.555 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 3.966 -13.390 10.826 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 4.486 -14.110 11.186 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 3.056 -13.660 10.986 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 4.799 -10.137 -17.841 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.739 -10.267 -17.961 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 4.679 -9.187 -17.911 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 15.241 18.531 13.972 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 16.061 18.131 14.272 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 15.461 18.911 13.112 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -22.301 -6.495 3.008 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -22.731 -5.685 2.728 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -21.541 -6.565 2.428 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 -3.011 14.339 -23.305 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 -3.731 13.879 -23.735 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 -2.901 15.139 -23.825 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 22.198 -16.698 -21.965 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 21.568 -17.068 -22.575 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 22.278 -17.358 -21.275 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 15.839 -0.818 22.965 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 15.469 -0.828 22.085 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 15.989 0.112 23.155 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -3.625 13.327 13.959 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -3.285 13.987 14.569 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -2.995 13.327 13.239 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 13.680 15.987 -0.321 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 14.590 15.697 -0.301 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 13.730 16.927 -0.531 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -2.367 16.241 24.416 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -1.507 15.951 24.126 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -2.187 16.941 25.046 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 -20.644 20.802 -11.367 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 -21.414 20.572 -11.897 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 -20.704 21.752 -11.277 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 14.344 -16.027 23.205 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 14.734 -16.857 23.505 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 13.794 -16.277 22.465 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 6.896 7.504 16.019 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 7.736 7.934 16.199 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 6.466 7.454 16.869 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 -13.170 16.459 -12.668 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 -13.220 17.169 -12.028 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -12.250 16.199 -12.668 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 -21.275 14.714 17.779 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 -20.675 15.044 17.109 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 -21.285 13.764 17.649 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 14.014 18.472 -1.663 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 14.314 17.792 -2.263 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 13.064 18.392 -1.653 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 18.271 21.152 -14.138 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 19.201 21.052 -14.308 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 18.071 20.522 -13.448 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 -15.950 -15.504 -0.798 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 -15.240 -15.864 -0.268 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 -15.830 -14.554 -0.748 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 14.781 23.790 -18.454 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 15.071 23.430 -19.294 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 13.941 24.220 -18.654 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 10.445 -19.739 23.440 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 10.455 -19.419 22.540 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 11.055 -20.479 23.440 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -12.746 -21.628 -14.305 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -12.576 -22.438 -13.815 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -13.646 -21.718 -14.605 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 9.117 -12.608 -8.925 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 8.887 -12.268 -9.785 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 8.277 -12.808 -8.515 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -15.527 19.423 -20.030 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -15.887 18.533 -19.950 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -15.127 19.433 -20.900 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 0.897 10.771 6.276 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 1.317 10.921 5.426 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 -0.043 10.811 6.086 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 1.704 13.657 13.409 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 1.084 14.207 12.949 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 1.874 14.117 14.229 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 -11.676 -12.643 -10.734 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 -11.626 -12.433 -9.794 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 -10.856 -13.103 -10.924 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -4.887 10.472 16.529 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -5.017 9.712 17.089 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -4.797 10.112 15.649 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 12.206 -17.378 -25.155 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 13.016 -17.048 -24.765 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 11.846 -16.618 -25.615 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 -1.730 -2.085 -15.711 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 -2.500 -2.155 -16.271 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 -1.750 -1.195 -15.381 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -1.485 3.404 -22.954 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -1.815 4.124 -23.484 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -0.615 3.234 -23.314 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -9.909 -20.869 19.624 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -10.399 -21.579 19.224 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -9.119 -21.279 19.974 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -21.162 -12.425 7.256 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -21.602 -12.475 8.106 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -21.442 -11.595 6.886 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -13.609 -14.758 9.199 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -13.939 -13.888 9.429 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -14.269 -15.358 9.529 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 7.391 8.529 -14.493 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 8.221 8.469 -14.953 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 7.381 7.789 -13.893 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 -4.084 13.520 5.688 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 -4.064 12.850 5.008 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 -4.884 13.330 6.188 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 -13.125 20.900 -1.028 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 -13.255 21.180 -1.928 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 -12.355 20.320 -1.068 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 -3.824 -0.987 -17.156 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 -3.524 -1.177 -18.046 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 -4.634 -0.497 -17.276 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 18.456 -11.428 -18.175 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 17.696 -11.388 -17.585 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 18.176 -10.948 -18.955 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 22.849 18.803 23.730 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 23.019 17.963 24.170 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 23.599 18.933 23.160 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 20.685 -19.697 2.452 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 19.835 -19.967 2.792 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 21.295 -19.847 3.172 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -1.803 12.802 -10.434 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -0.953 12.362 -10.444 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -2.113 12.742 -11.334 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 -20.405 0.596 -18.258 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 -20.365 -0.324 -17.988 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 -19.505 0.806 -18.508 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 3.699 -11.235 24.299 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 3.629 -10.455 23.749 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 2.849 -11.315 24.729 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 10.366 6.729 -21.058 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 10.826 7.239 -21.718 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 9.896 7.389 -20.538 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 4.278 -23.341 21.276 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 5.048 -23.881 21.446 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 3.948 -23.121 22.146 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -12.023 0.932 -1.435 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -11.413 1.672 -1.495 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -11.893 0.452 -2.245 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 9.373 21.392 13.706 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 9.303 20.982 14.566 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 10.113 20.962 13.296 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 13.745 19.424 -24.915 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 13.325 20.274 -24.795 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 13.035 18.794 -24.795 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 9.757 -19.315 -8.705 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 9.837 -19.455 -7.755 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 10.237 -20.035 -9.095 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 -7.823 -0.412 6.796 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 -7.833 -0.512 5.836 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 -7.063 0.138 6.966 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 21.796 13.275 -15.131 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 22.716 13.005 -15.161 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 21.476 12.955 -14.281 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.951 3.712 -22.368 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -14.561 4.152 -23.128 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -15.061 2.802 -22.658 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -3.810 -15.509 3.422 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -3.510 -14.849 2.802 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -4.570 -15.909 2.992 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 5.746 -5.737 -15.888 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 5.786 -6.687 -15.958 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 4.896 -5.507 -16.248 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 23.769 -24.464 23.129 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 24.549 -24.924 22.849 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 23.149 -25.164 23.359 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 -6.312 -4.999 -16.822 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 -6.362 -5.959 -16.832 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 -5.452 -4.809 -16.442 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -13.105 22.744 11.977 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -12.975 23.434 11.327 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -13.685 23.124 12.627 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 11.885 -0.207 9.628 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 12.255 0.653 9.418 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 12.195 -0.377 10.518 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 8.735 -16.845 -20.768 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 7.965 -16.285 -20.838 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 8.785 -17.085 -19.838 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 23.736 10.708 -19.131 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 24.316 11.458 -19.211 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 22.986 11.038 -18.641 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 7.314 6.066 -7.234 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 6.404 5.766 -7.284 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 7.294 6.936 -7.644 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 -18.196 2.272 -0.219 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 -18.966 2.352 0.331 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 -17.466 2.542 0.331 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 8.639 21.734 -12.461 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 9.289 22.314 -12.061 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 8.589 22.014 -13.371 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 6.289 7.435 -17.481 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 6.449 7.125 -16.591 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 5.369 7.685 -17.481 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -11.536 -19.887 22.439 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -10.996 -20.327 21.779 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -11.216 -20.227 23.269 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 -24.325 -18.298 -17.536 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 -23.755 -18.568 -16.806 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 -25.205 -18.288 -17.156 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 -4.835 14.410 -6.111 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 -5.515 15.090 -6.071 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 -4.865 14.100 -7.011 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 -10.062 -1.890 -0.272 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 -9.112 -1.740 -0.372 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 -10.382 -2.020 -1.162 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 24.134 16.523 -23.657 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 23.614 16.273 -22.887 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 23.514 16.513 -24.377 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -13.946 5.235 20.940 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -14.096 5.115 21.880 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -14.676 4.795 20.520 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 13.196 7.480 19.271 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 13.036 8.210 19.871 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 14.046 7.680 18.871 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 -8.201 -10.610 -19.944 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 -8.021 -9.670 -19.884 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 -7.541 -11.020 -19.384 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -7.813 10.172 4.111 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -8.153 10.072 3.221 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -8.233 10.962 4.451 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 0.126 -5.784 -18.702 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 0.016 -5.784 -19.652 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 1.006 -5.444 -18.562 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 12.008 5.792 5.591 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.948 4.932 5.161 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.288 5.792 6.221 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 0.178 11.689 -7.498 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 0.438 12.499 -7.918 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -0.702 11.519 -7.818 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -11.115 -10.308 21.451 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.815 -10.088 20.841 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -10.345 -9.858 21.101 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -1.961 18.619 -6.278 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -2.201 18.169 -5.468 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -1.511 19.419 -5.988 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -11.065 -7.683 1.366 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -11.565 -7.343 2.106 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -10.985 -8.623 1.536 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 12.641 13.018 -14.326 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 12.081 12.238 -14.326 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 12.041 13.728 -14.086 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 11.276 18.539 8.207 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 11.896 18.659 8.937 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 11.306 17.599 8.027 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 -1.253 4.135 9.157 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 -1.363 4.805 9.837 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 -0.483 3.635 9.437 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -14.148 6.512 12.889 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -14.079 5.592 12.659 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -15.069 6.622 13.149 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 -20.937 -21.028 -19.365 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 -21.307 -21.878 -19.595 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 -19.997 -21.158 -19.385 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 13.574 -18.015 16.017 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 12.864 -18.465 16.467 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 13.124 -17.435 15.397 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 -5.709 -24.699 -6.303 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 -5.069 -25.379 -6.543 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 -5.698 -24.089 -7.033 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 18.877 14.638 -4.671 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 18.677 14.978 -3.801 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 19.037 13.698 -4.521 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -15.163 -9.694 22.385 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -14.333 -9.204 22.405 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -15.833 -9.034 22.495 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 0.470 -22.766 -11.266 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 0.700 -23.646 -10.976 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 -0.240 -22.906 -11.896 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 2.613 15.868 -22.898 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 3.293 16.038 -22.248 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 2.693 14.928 -23.098 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 -19.567 -5.405 21.963 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 -20.277 -5.585 22.583 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 -19.367 -4.475 22.073 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -10.081 8.345 -24.725 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -10.121 8.345 -25.685 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -9.771 9.215 -24.495 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 -3.177 14.180 0.384 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 -3.517 14.060 1.274 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 -3.937 14.470 -0.126 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 15.057 4.498 22.909 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 14.127 4.568 23.109 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 15.177 5.058 22.149 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.206 -20.364 9.792 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 9.686 -21.184 9.892 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.516 -19.814 10.512 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 22.377 -12.907 18.449 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 23.037 -13.457 18.039 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 21.927 -12.477 17.719 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 9.326 -11.875 -21.421 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 9.276 -11.975 -22.371 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 8.726 -11.145 -21.231 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 -1.510 10.864 -21.068 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 -1.640 10.734 -20.138 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 -2.030 11.644 -21.278 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 13.561 -23.987 7.806 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 13.591 -23.027 7.906 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 13.641 -24.127 6.866 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 21.004 24.121 -4.591 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 20.164 24.301 -4.181 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 21.404 23.451 -4.031 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 -19.226 -24.290 3.729 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -20.156 -24.520 3.749 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 -18.876 -24.800 2.999 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 -6.942 -9.303 22.361 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 -7.612 -9.453 23.031 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 -7.442 -9.103 21.571 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 22.486 -4.148 5.485 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 23.206 -4.358 6.075 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 21.766 -3.888 6.065 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -12.133 -12.800 -18.991 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -12.643 -12.950 -18.201 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -11.463 -12.170 -18.731 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 4.438 -11.018 -22.745 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 3.638 -11.478 -22.485 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 4.258 -10.098 -22.525 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 -8.762 23.393 -3.905 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 -8.102 23.113 -4.535 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 -9.502 23.683 -4.445 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 16.569 14.162 0.731 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 16.879 14.242 -0.169 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 17.019 14.862 1.201 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.001 -23.647 -7.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 0.879 -23.297 -7.405 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 -0.031 -24.427 -7.825 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 1.616 -0.223 9.392 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 1.856 0.517 8.832 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 1.246 0.187 10.172 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 -4.806 22.560 2.282 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 -4.326 23.390 2.222 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 -4.176 21.900 1.992 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 -21.796 0.420 0.731 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 -22.256 0.310 -0.099 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 -21.346 1.270 0.651 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 -5.733 -0.487 24.860 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 -6.593 -0.517 24.430 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 -5.543 -1.387 25.100 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 20.831 -2.731 3.326 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 20.601 -3.051 4.206 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 20.292 -3.261 2.736 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -3.316 -18.423 7.330 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -3.456 -18.573 6.400 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -4.196 -18.403 7.700 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 -18.756 -0.861 -0.617 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 -19.426 -0.951 -1.297 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 -18.626 0.089 -0.537 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 20.113 9.845 -7.158 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 20.723 9.605 -6.458 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 20.663 9.935 -7.938 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 9.647 4.471 11.037 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 9.627 4.801 11.937 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 8.997 3.781 11.017 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 -22.355 20.882 4.240 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 -21.615 20.272 4.180 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 -22.055 21.662 3.760 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 -1.941 5.765 -20.220 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 -1.101 5.815 -20.680 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 -1.761 5.185 -19.480 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 17.523 -4.747 -5.538 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 18.343 -4.907 -5.078 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 17.213 -3.907 -5.218 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 18.046 -1.661 24.922 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 18.966 -1.421 24.822 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 17.616 -1.261 24.162 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 -24.271 15.935 9.881 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 -24.961 16.255 9.311 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 -24.721 15.395 10.541 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -21.743 -6.169 -5.053 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -22.053 -5.399 -5.523 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -22.103 -6.089 -4.173 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 7.381 17.648 -20.258 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 8.151 18.048 -20.668 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 7.681 16.778 -19.998 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 -6.242 -17.538 -9.730 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 -6.842 -17.158 -10.360 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 -6.132 -18.448 -10.020 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 20.443 -5.550 -7.450 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 21.323 -5.430 -7.810 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 20.593 -5.830 -6.540 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -21.137 16.367 20.742 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -20.817 15.507 20.482 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -20.707 16.537 21.582 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 -24.069 -24.347 21.741 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 -24.149 -25.057 21.101 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 -24.119 -23.547 21.221 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 -25.006 2.432 2.591 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 -25.916 2.162 2.441 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 -24.686 2.692 1.721 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 -22.148 -5.691 -12.480 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 -21.999 -6.481 -11.970 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 -22.549 -6.001 -13.290 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 20.075 5.140 -25.241 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 20.615 4.360 -25.161 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 20.635 5.850 -24.921 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 -6.725 11.813 24.717 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 -6.075 12.273 25.257 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 -6.455 10.903 24.737 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 -18.950 4.057 -23.958 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 -19.690 3.757 -23.438 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 -18.980 3.537 -24.758 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 24.381 16.236 -18.495 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 25.041 15.996 -19.145 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 23.891 15.426 -18.345 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -5.225 -2.684 -8.438 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -4.495 -2.064 -8.398 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -5.835 -2.374 -7.768 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 -22.839 -16.797 -19.495 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 -23.259 -17.527 -19.055 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 -22.399 -17.187 -20.245 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 14.184 -19.685 -17.845 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 13.534 -20.035 -17.235 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 14.044 -18.735 -17.835 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 -9.072 7.511 13.729 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 -8.852 7.101 12.889 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 -9.992 7.321 13.859 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 13.500 4.402 16.307 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 13.070 4.892 15.607 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 12.780 4.142 16.897 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 16.701 9.547 -25.041 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 15.991 9.897 -25.591 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 17.201 10.327 -24.781 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 5.035 19.128 -24.881 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 4.965 18.638 -25.701 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 4.795 20.028 -25.111 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 -14.262 1.686 -19.996 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 -13.372 1.346 -20.116 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 -14.802 1.116 -20.546 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 19.539 3.300 7.344 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 20.349 3.500 7.814 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 19.809 3.170 6.444 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -2.924 -16.145 -20.019 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -2.094 -16.575 -20.239 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -2.764 -15.725 -19.179 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 9.864 -5.272 24.971 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 10.284 -5.532 24.151 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 10.444 -4.592 25.321 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -22.805 17.039 -13.414 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -22.595 16.309 -14.004 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -22.755 16.649 -12.534 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 -23.593 -0.803 -20.858 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -23.743 -1.403 -21.588 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -24.093 -1.173 -20.128 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 -2.159 -1.098 0.767 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 -2.849 -1.108 0.107 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 -1.989 -0.168 0.927 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 11.010 22.995 -1.894 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 11.810 23.525 -1.804 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 10.920 22.865 -2.834 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 18.615 19.250 12.159 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 19.165 19.260 12.929 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 19.225 19.230 11.419 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 23.813 9.477 -14.965 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 24.553 10.067 -15.105 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 23.383 9.807 -14.185 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 -14.677 -20.696 23.656 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 -13.967 -20.056 23.756 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 -15.427 -20.276 24.086 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 3.597 -7.963 -24.064 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 4.107 -8.493 -24.674 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 4.237 -7.693 -23.394 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 15.743 -5.581 16.590 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 15.503 -4.671 16.730 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 15.523 -5.751 15.680 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -3.733 8.414 11.582 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -3.013 8.884 11.172 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -3.723 7.554 11.152 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -19.980 -0.801 24.676 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -20.860 -1.001 24.366 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -19.460 -1.571 24.446 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -18.253 1.640 -21.645 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -18.003 2.470 -21.255 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -19.163 1.510 -21.385 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 -10.717 15.401 -8.204 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 -10.297 14.621 -8.554 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 -10.307 15.521 -7.344 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 9.680 -1.357 14.876 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 10.320 -1.737 15.476 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 9.350 -2.107 14.376 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -13.724 -16.276 16.392 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -14.324 -16.256 17.142 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -12.894 -15.956 16.752 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -3.996 -3.883 -20.269 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -3.636 -3.203 -19.699 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -4.046 -4.653 -19.719 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 5.425 -23.440 -16.465 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 4.535 -23.110 -16.375 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 5.415 -24.280 -16.005 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 -22.850 -0.269 -16.658 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 -22.290 0.491 -16.818 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 -23.580 0.071 -16.148 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 5.816 -3.854 -24.953 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 5.286 -3.084 -25.163 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 6.566 -3.514 -24.463 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 -14.587 12.620 -1.015 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 -15.407 13.050 -0.785 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 -14.797 11.680 -1.005 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 24.746 -24.237 -22.897 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 25.006 -23.327 -22.777 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 23.976 -24.347 -22.337 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -21.251 18.661 -18.013 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -22.111 18.981 -18.303 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -20.671 19.421 -18.103 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 22.753 1.581 -23.841 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 23.283 0.811 -24.041 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 23.393 2.281 -23.691 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 5.248 21.308 13.805 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 4.408 21.778 13.805 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 5.008 20.408 13.575 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 18.220 -11.138 -14.633 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 18.530 -11.398 -13.763 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 18.660 -10.308 -14.803 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 6.613 -1.909 -1.484 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 7.003 -1.219 -0.944 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 5.753 -2.059 -1.094 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 12.484 -23.528 13.933 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 12.364 -24.178 14.623 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 12.774 -24.028 13.173 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 10.884 24.678 15.453 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 10.034 25.038 15.213 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 11.094 24.068 14.743 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 0.218 -0.142 -10.799 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -0.132 -0.382 -11.649 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -0.542 -0.132 -10.219 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 -1.527 24.100 12.047 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 -1.077 24.320 11.237 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 -1.007 23.390 12.427 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 24.398 -1.728 19.215 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 24.968 -2.468 19.425 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 24.788 -1.358 18.425 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 5.538 12.241 -14.904 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 4.748 12.481 -14.414 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 6.228 12.201 -14.244 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -6.889 20.442 -4.183 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -6.409 20.382 -5.003 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -7.549 21.122 -4.343 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 10.066 16.415 20.036 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 11.026 16.395 19.986 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 9.776 16.175 19.156 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 -18.810 24.316 1.785 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 -18.920 24.576 0.875 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 -17.980 23.836 1.795 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 24.621 8.626 -6.838 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 24.601 7.966 -7.528 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 23.941 9.256 -7.078 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 -15.349 1.698 -17.299 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 -15.379 0.948 -16.719 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 -15.289 1.318 -18.179 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 20.131 21.962 -11.202 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 20.401 21.412 -11.942 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 20.601 21.602 -10.452 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 22.630 8.265 -23.248 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 21.730 7.965 -23.398 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 23.140 7.465 -23.158 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -10.625 17.047 0.320 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -10.505 16.177 0.700 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -10.735 17.627 1.070 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 14.234 16.042 -3.989 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 13.334 15.882 -3.729 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 14.334 15.582 -4.819 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 16.166 -21.837 23.572 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 17.076 -21.587 23.402 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 15.796 -21.117 24.082 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 20.011 2.406 0.597 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 20.451 2.046 -0.163 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 20.141 1.756 1.287 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 12.560 8.404 -6.259 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 13.210 8.154 -5.599 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 11.730 8.104 -5.889 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 0.388 -19.069 -4.411 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 0.918 -18.269 -4.401 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 0.838 -19.649 -5.021 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -1.141 16.124 -4.716 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -0.981 15.644 -3.906 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -1.061 17.044 -4.476 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 13.895 19.315 -13.288 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 14.045 19.085 -14.208 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 14.065 20.255 -13.248 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -12.816 -12.096 -21.432 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -13.016 -12.496 -20.582 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -12.506 -11.216 -21.222 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 -22.016 -15.341 13.202 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 -22.126 -14.891 14.042 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 -21.146 -15.741 13.252 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 6.089 -22.383 -0.036 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 5.799 -22.983 -0.716 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 6.119 -21.523 -0.466 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -16.919 14.588 -10.726 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -16.079 14.278 -11.056 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -16.989 15.488 -11.036 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -20.625 12.392 -9.408 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -21.415 12.452 -8.878 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -20.815 12.922 -10.188 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 7.195 23.093 13.229 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 7.955 22.563 13.459 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 6.445 22.563 13.519 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 0.005 15.483 11.846 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 0.625 15.673 11.146 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 -0.575 16.243 11.866 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 16.006 11.855 -21.478 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 16.766 12.395 -21.708 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 15.526 11.745 -22.298 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 16.230 16.514 -14.338 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 16.760 16.114 -15.028 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 16.110 15.824 -13.688 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 4.301 -2.311 21.282 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 4.341 -1.411 20.952 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 5.221 -2.571 21.372 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 -10.027 -8.101 20.116 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 -9.177 -7.711 20.296 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 -10.607 -7.361 19.956 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 21.475 18.142 17.819 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 21.985 17.712 18.509 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 20.785 18.602 18.299 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 15.694 -7.929 -3.065 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 16.504 -7.739 -3.535 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 15.924 -8.669 -2.495 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 -3.783 -9.892 10.162 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 -3.863 -10.812 9.912 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 -3.223 -9.902 10.942 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 -23.236 12.609 -21.761 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 -22.546 12.849 -22.391 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 -23.346 11.669 -21.881 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 21.165 -10.431 1.422 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 21.915 -10.981 1.182 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 21.245 -9.671 0.852 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 17.654 19.523 -7.373 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 17.844 18.703 -7.823 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 16.854 19.853 -7.793 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 14.980 10.031 -16.492 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 15.030 10.971 -16.332 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 14.060 9.871 -16.702 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 7.551 -12.579 -17.951 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 7.181 -12.179 -18.741 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 7.221 -13.479 -17.961 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 -2.842 -13.858 10.032 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 -3.322 -13.498 9.292 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 -2.032 -13.358 10.062 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 18.497 20.398 -5.141 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 18.107 19.998 -5.921 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 19.017 21.128 -5.491 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 14.778 -20.565 -14.469 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 15.508 -21.185 -14.429 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 15.188 -19.705 -14.439 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 -20.521 3.376 11.965 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 -19.971 4.156 11.975 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 -20.131 2.796 12.625 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -7.861 -5.450 -22.676 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -7.361 -4.670 -22.426 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -7.701 -6.080 -21.966 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 15.179 10.765 -3.941 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 14.479 10.815 -3.281 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 15.869 11.325 -3.601 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -0.059 20.722 21.959 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -0.059 21.632 22.239 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -0.459 20.232 22.679 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -20.709 3.893 -16.518 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -21.189 3.303 -17.108 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -21.219 3.903 -15.718 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 -13.627 21.353 -3.987 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 -13.847 22.283 -3.967 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 -13.267 21.213 -4.867 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -13.055 13.365 -19.848 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -12.335 13.525 -20.448 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -13.615 12.725 -20.298 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 -7.692 19.106 20.266 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 -7.262 18.636 19.546 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 -8.032 18.416 20.836 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 16.684 -11.034 6.925 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 16.744 -11.714 6.255 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 17.434 -11.204 7.505 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 -18.112 -13.040 -19.770 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 -17.572 -13.470 -19.110 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 -17.692 -13.260 -20.610 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 17.779 -23.751 -2.679 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 16.919 -23.451 -2.379 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 17.699 -24.701 -2.749 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 4.316 -24.316 -12.061 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 4.356 -24.276 -13.011 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 4.066 -23.426 -11.801 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -12.715 20.584 -12.871 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -13.025 19.864 -13.421 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -13.275 21.324 -13.101 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 14.245 17.545 17.542 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 14.715 18.325 17.242 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 13.395 17.595 17.102 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 16.528 -19.024 9.156 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 16.908 -19.424 9.936 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 16.158 -18.204 9.476 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 -1.582 16.480 -19.915 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 -1.082 16.270 -19.125 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 -2.422 16.790 -19.595 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 14.927 6.073 4.238 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 15.117 5.303 4.768 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 13.977 6.063 4.128 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 5.835 23.826 -6.042 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 5.345 24.186 -6.782 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 6.425 24.536 -5.772 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 10.870 -23.822 -13.031 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 11.470 -23.092 -13.201 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 11.410 -24.462 -12.571 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -15.904 -24.282 11.791 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -16.624 -23.682 11.571 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -15.924 -24.942 11.091 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 -25.239 -0.794 -18.805 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -24.539 -0.274 -18.405 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 -25.259 -1.604 -18.295 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -23.265 2.218 -0.648 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -23.365 2.428 0.272 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -23.565 2.998 -1.108 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 22.492 -10.938 12.031 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 22.111 -10.108 12.311 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 21.882 -11.598 12.341 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 10.849 0.455 18.950 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 10.289 1.245 18.900 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 11.679 0.725 18.570 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 -17.756 11.830 -11.666 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 -18.246 12.410 -11.086 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 -16.876 12.210 -11.696 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 -11.967 16.372 -2.502 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 -11.727 15.482 -2.242 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 -12.587 16.662 -1.842 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -16.209 -1.966 9.116 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -15.809 -1.916 8.246 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -15.679 -2.626 9.576 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 22.751 -0.179 17.489 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 23.361 -0.919 17.469 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 23.311 0.591 17.439 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -22.524 -8.265 23.499 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -21.994 -8.255 24.289 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -22.034 -8.825 22.889 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 -20.001 23.613 8.419 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 -19.101 23.333 8.549 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 -20.221 23.353 7.529 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 20.776 -10.228 -17.283 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 19.926 -10.538 -17.613 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 21.216 -9.888 -18.053 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 24.768 -7.507 13.819 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 24.828 -6.647 13.399 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 24.918 -7.327 14.749 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 12.197 -2.309 -4.753 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 11.837 -3.189 -4.613 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 11.717 -1.969 -5.513 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 11.844 7.133 11.772 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 11.234 6.623 11.232 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 11.554 6.953 12.672 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -11.873 8.312 21.816 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -12.303 8.972 21.276 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -11.023 8.692 22.036 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 7.973 -15.027 7.902 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 7.333 -15.137 7.202 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 8.743 -14.677 7.472 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -4.192 10.497 -5.643 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -3.882 10.677 -4.753 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 -3.392 10.367 -6.143 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 -12.583 -1.082 -15.634 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 -11.933 -0.372 -15.574 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 -12.833 -1.262 -14.734 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 22.101 19.122 12.596 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 21.371 19.742 12.596 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 22.201 18.872 13.516 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 -20.769 6.811 -8.994 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 -21.659 6.871 -8.634 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 -20.839 6.181 -9.704 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 13.747 12.192 0.296 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 12.847 12.442 0.466 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 14.217 13.022 0.216 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 24.737 16.230 14.150 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 24.857 15.530 13.520 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 25.087 17.010 13.720 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 -24.770 -8.165 -11.051 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 -25.640 -7.865 -11.301 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 -24.380 -8.495 -11.861 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -18.592 12.682 4.524 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -17.672 12.892 4.674 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -18.852 12.162 5.284 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 -22.796 -4.850 -15.614 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 -21.996 -5.260 -15.954 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 -23.386 -5.590 -15.454 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 -9.239 -17.344 -6.733 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 -9.889 -18.044 -6.833 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 -8.789 -17.554 -5.913 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 16.359 -2.390 -23.431 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 17.179 -2.100 -23.831 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 16.419 -2.090 -22.531 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 -7.684 11.722 0.358 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 -6.924 11.672 -0.222 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 -8.184 12.472 0.038 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 1.783 5.794 -8.895 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 0.923 5.964 -8.515 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 1.663 5.004 -9.405 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 -17.209 -19.609 -3.595 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 -17.049 -18.699 -3.365 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 -18.159 -19.699 -3.555 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 11.956 12.964 7.132 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 11.666 12.684 8.002 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 11.366 12.514 6.522 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 -18.442 -4.185 -12.528 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 -17.802 -3.685 -13.038 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 -18.282 -3.915 -11.628 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -12.206 -3.094 -9.208 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -12.896 -2.514 -8.878 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -12.666 -3.844 -9.558 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 10.132 11.673 5.506 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 9.451 12.283 5.216 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 9.691 10.813 5.506 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 -15.064 2.951 16.467 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 -15.744 3.421 15.987 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 -15.004 3.411 17.297 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 -0.461 -16.762 11.491 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 -0.731 -16.942 10.591 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 -1.261 -16.532 11.941 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 -18.961 -2.287 -9.201 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 -18.841 -2.367 -8.251 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 -18.081 -2.367 -9.561 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 17.846 9.911 10.285 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 18.006 8.971 10.295 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 16.936 10.001 10.005 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -2.010 21.067 12.179 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -2.260 20.407 12.829 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -2.740 21.687 12.169 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 -22.147 6.232 16.747 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 -21.937 6.512 15.857 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 -22.977 5.752 16.657 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 2.195 -21.326 22.648 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 1.335 -20.926 22.528 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 2.135 -21.766 23.488 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -20.750 3.133 0.819 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -20.780 3.793 0.129 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -21.090 3.573 1.589 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 23.999 6.813 1.678 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 24.839 6.643 1.258 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 23.349 6.463 1.078 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 -24.515 -23.740 13.371 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 -24.145 -23.800 12.501 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 -25.405 -24.080 13.281 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 -4.716 -12.036 -8.618 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 -4.916 -11.126 -8.388 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 -4.136 -12.326 -7.908 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 20.191 9.635 17.796 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 20.571 10.425 17.406 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 20.001 9.075 17.046 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 17.995 6.484 -17.530 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 17.575 7.214 -17.090 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 18.915 6.744 -17.600 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 10.788 8.220 4.623 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 10.988 7.970 3.723 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 11.088 7.480 5.143 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -21.479 13.412 4.962 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -21.169 13.212 5.842 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -20.899 12.922 4.382 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -8.143 -24.675 19.447 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -9.073 -24.675 19.637 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -7.953 -25.575 19.167 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 2.439 -24.788 -16.706 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 1.629 -24.298 -16.516 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 2.489 -25.448 -16.026 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.201 -10.790 -0.314 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -3.091 -10.420 0.566 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -2.751 -11.630 -0.274 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 18.050 15.975 1.759 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 18.180 15.495 2.569 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 17.950 16.885 2.029 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 0.236 21.986 18.319 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 0.986 22.176 18.889 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 0.346 21.066 18.079 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 23.531 2.133 12.882 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 23.271 2.753 13.562 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 23.421 1.273 13.282 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 22.990 -12.011 -15.280 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 23.170 -11.451 -16.030 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 22.510 -12.761 -15.640 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 21.079 18.561 1.296 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 21.689 19.271 1.506 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 21.489 17.781 1.656 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 3.524 22.364 7.446 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 4.414 22.094 7.686 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 3.644 22.874 6.646 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 24.245 20.045 -21.353 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 24.095 19.795 -20.443 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 25.185 20.215 -21.413 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 2.420 20.621 10.026 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 1.490 20.811 10.156 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 2.790 21.431 9.666 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 6.950 14.872 -2.866 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 6.480 15.142 -2.086 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 6.280 14.802 -3.546 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 9.294 6.092 -15.743 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 9.904 6.822 -15.813 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 9.644 5.422 -16.333 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 22.234 21.354 -25.328 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 22.814 21.814 -24.718 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 22.704 20.554 -25.548 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 1.526 -3.241 -10.194 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 1.826 -3.471 -11.074 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 1.586 -2.291 -10.154 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 3.117 12.204 -13.298 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 2.437 12.584 -12.728 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 2.687 11.454 -13.718 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 22.007 7.764 3.749 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 22.567 7.144 3.279 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 22.277 8.624 3.419 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 5.463 12.983 -20.228 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 5.153 12.083 -20.308 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 6.403 12.893 -20.078 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 6.577 -14.408 -9.854 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 7.367 -14.918 -9.664 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 6.517 -14.428 -10.814 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 -16.265 7.894 -8.121 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 -15.635 8.484 -7.711 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 -17.115 8.314 -7.991 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 -20.136 7.711 10.219 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 -19.736 6.841 10.209 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -20.126 7.991 9.309 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -8.210 -11.382 -6.431 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -8.480 -12.012 -5.771 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -7.410 -10.992 -6.081 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -17.056 6.423 14.328 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -17.576 6.133 15.078 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -17.006 5.643 13.758 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 -1.554 -21.889 9.572 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 -1.074 -21.249 10.092 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 -1.604 -22.669 10.142 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 2.156 -24.014 7.585 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 2.166 -24.384 6.705 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 1.996 -23.084 7.455 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 -19.277 -18.983 -12.941 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 -20.117 -19.053 -12.481 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 -19.197 -18.043 -13.141 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -12.800 -16.571 -14.058 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -13.290 -16.161 -13.348 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -12.670 -15.871 -14.698 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -22.144 -21.905 -4.057 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -22.984 -21.705 -4.467 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -21.604 -21.135 -4.227 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 20.580 -20.717 22.925 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 20.280 -21.557 22.585 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 21.520 -20.827 23.045 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 23.649 -4.268 13.907 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 23.009 -4.838 13.477 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 23.149 -3.468 14.107 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 -0.454 -18.244 14.290 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 -0.824 -19.084 14.000 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 -0.254 -17.784 13.470 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 20.688 20.719 22.255 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 21.228 20.869 23.035 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 21.018 19.889 21.895 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -10.071 -24.207 -12.276 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -10.121 -24.607 -13.146 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -9.831 -23.297 -12.446 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 19.304 10.280 5.567 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 19.254 9.380 5.887 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 18.404 10.490 5.327 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -22.177 15.298 -4.755 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -21.397 15.628 -4.315 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -21.857 14.598 -5.325 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -22.023 -22.259 7.892 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -21.563 -22.869 7.312 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -22.943 -22.329 7.632 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -22.132 17.981 18.482 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -22.942 18.281 18.912 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -21.622 17.591 19.192 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 15.526 11.040 -11.641 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 16.456 11.030 -11.871 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 15.336 10.130 -11.421 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 -12.843 -5.340 25.249 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 -12.673 -5.770 24.419 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 -11.973 -5.160 25.619 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 1.446 3.105 14.226 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 1.686 3.315 15.136 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 0.616 3.545 14.086 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 -12.515 16.864 8.414 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 -12.805 17.504 9.074 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 -11.585 17.054 8.304 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 5.251 16.092 -11.338 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 4.581 16.212 -10.668 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 6.031 16.512 -10.968 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -11.351 -14.657 -21.214 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -11.581 -13.977 -20.584 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -10.971 -15.357 -20.684 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 8.720 22.470 17.329 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 8.110 21.740 17.229 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 8.230 23.240 17.069 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 7.703 -22.154 -9.141 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 8.413 -21.614 -8.801 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 8.143 -22.884 -9.581 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 -18.244 9.003 0.198 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 -18.064 8.643 1.058 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 -17.794 8.413 -0.412 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -3.275 7.114 -10.811 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -2.985 7.984 -11.061 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -2.535 6.544 -11.011 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 7.791 -21.488 -5.431 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 8.741 -21.368 -5.441 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 7.441 -20.688 -5.821 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 8.620 -13.833 13.419 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 8.340 -14.183 12.579 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 7.920 -13.223 13.669 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 -9.410 -14.783 -10.614 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 -9.750 -15.013 -9.754 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 -8.500 -14.523 -10.454 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 -21.104 -24.975 -0.317 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -21.534 -24.445 -0.987 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 -20.534 -24.365 0.143 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 24.933 12.696 -6.654 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 24.873 13.236 -5.874 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 24.623 13.256 -7.364 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 5.259 -6.029 -11.488 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 6.199 -6.189 -11.558 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 4.879 -6.879 -11.268 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 10.331 7.440 -5.044 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 10.441 6.720 -4.424 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 9.591 7.940 -4.714 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 10.400 -4.584 -19.418 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 9.560 -4.584 -19.878 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 10.170 -4.714 -18.498 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 1.134 -20.160 -1.415 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 1.914 -19.690 -1.125 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 0.414 -19.750 -0.935 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 7.643 19.925 5.399 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 6.703 20.125 5.309 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 7.713 19.505 6.259 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -7.084 13.082 -4.944 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -6.304 12.882 -4.434 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -6.754 13.502 -5.744 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 -21.315 15.835 -8.300 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 -20.425 16.165 -8.230 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 -21.545 15.565 -7.410 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -3.884 4.192 8.435 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -4.524 3.682 8.925 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -3.064 3.702 8.535 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 4.223 -1.527 -24.711 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.553 -1.127 -25.261 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.313 -0.937 -23.961 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 22.596 -10.834 -1.217 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 23.516 -10.584 -1.117 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 22.116 -10.014 -1.117 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 2.886 -5.233 -14.580 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 3.606 -5.363 -13.960 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 3.086 -4.403 -15.010 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.795 -3.468 -21.398 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 11.605 -4.328 -21.778 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.565 -3.568 -20.478 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 14.248 -14.831 -23.156 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 14.728 -15.601 -22.856 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 14.658 -14.601 -23.986 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 21.204 -2.889 14.729 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 20.544 -3.579 14.779 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 21.474 -2.749 15.639 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -13.722 -2.077 -1.593 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -14.062 -1.337 -2.083 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -14.512 -2.527 -1.273 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 14.579 3.391 -0.908 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 15.379 3.231 -0.418 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 14.729 4.231 -1.338 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 4.597 6.652 -11.918 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 3.667 6.842 -11.808 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 4.627 5.712 -12.108 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 15.947 21.612 -1.144 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 16.807 21.332 -0.814 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 15.767 22.432 -0.684 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 18.099 15.795 23.101 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 17.179 15.555 23.151 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 18.099 16.745 22.991 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 2.985 19.265 -15.474 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 3.865 18.985 -15.734 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 2.735 19.905 -16.134 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 -16.431 -8.307 4.109 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 -16.171 -8.517 4.999 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 -16.081 -9.017 3.579 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 4.123 -4.732 -22.518 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 4.303 -4.012 -21.918 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 4.583 -4.502 -23.318 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 14.569 -20.447 17.652 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 14.239 -20.457 18.552 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 14.829 -19.537 17.512 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 -16.633 1.553 -10.814 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 -16.693 1.413 -11.754 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 -17.263 0.943 -10.444 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 2.519 6.672 -15.054 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 2.669 5.762 -14.794 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 3.369 6.972 -15.374 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 -5.061 10.835 4.284 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 -4.801 9.915 4.374 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 -6.011 10.815 4.274 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 -24.081 -19.368 16.355 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 -23.891 -19.638 15.465 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 -24.371 -18.458 16.275 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 11.787 13.726 21.027 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 12.207 14.046 20.227 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 12.247 14.186 21.737 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 16.344 -24.956 2.792 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 17.284 -25.096 2.852 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 15.964 -25.686 3.282 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 11.469 -14.672 -10.838 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 11.769 -15.442 -10.358 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 12.199 -14.062 -10.798 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 5.961 -11.259 -8.461 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 5.311 -11.669 -9.031 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 6.351 -11.989 -7.981 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 6.470 -20.462 16.433 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 5.880 -19.722 16.283 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 6.020 -20.992 17.083 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 8.846 -1.855 17.802 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 9.666 -2.235 17.482 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 9.116 -1.235 18.472 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 11.365 19.691 13.003 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 12.085 19.391 13.563 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 11.065 18.891 12.563 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 9.885 -21.122 -11.253 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 10.325 -21.952 -11.463 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 9.005 -21.222 -11.633 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 -12.434 4.138 2.816 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 -13.214 4.228 3.356 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 -11.704 4.248 3.416 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 13.587 -24.066 4.625 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 12.687 -24.376 4.695 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.087 -24.846 4.385 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.649 -11.221 -19.016 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 14.139 -11.041 -19.826 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 13.389 -10.361 -18.696 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 0.186 -19.856 10.079 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 -0.144 -19.126 9.569 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 0.616 -19.436 10.829 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 -22.933 13.313 -17.238 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 -22.633 14.143 -17.598 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 -22.123 12.823 -17.058 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 -21.819 22.299 24.868 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 -22.599 21.859 25.198 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 -21.319 21.609 24.418 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 24.606 -21.562 -1.951 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 25.046 -21.392 -1.121 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 23.756 -21.912 -1.701 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -22.392 -20.992 -11.841 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -22.922 -20.782 -12.611 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -22.602 -21.912 -11.641 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 20.531 -10.486 6.145 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 21.361 -10.926 5.945 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 20.041 -10.506 5.325 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 1.260 6.708 -17.502 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 1.480 6.578 -16.582 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 0.320 6.558 -17.552 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 1.339 -1.568 17.650 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 0.989 -1.628 18.540 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 2.199 -1.988 17.710 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 8.213 11.977 -25.460 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 7.283 11.797 -25.350 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 8.383 12.707 -24.860 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -5.907 -12.035 -23.081 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -6.657 -12.435 -23.521 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -6.017 -11.095 -23.221 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 -9.184 21.658 -12.365 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 -8.674 21.478 -13.155 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 -9.984 21.158 -12.485 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 0.396 -3.179 -13.981 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 0.346 -2.889 -14.891 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 1.276 -2.959 -13.701 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 9.991 -7.952 19.618 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 9.271 -7.452 19.208 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 10.421 -8.392 18.888 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -21.387 4.824 9.362 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -21.307 4.464 10.242 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -21.897 5.634 9.472 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.063 -2.266 -4.011 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 2.853 -1.986 -3.121 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 3.623 -3.036 -3.891 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -21.257 21.231 19.430 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -20.517 21.301 20.030 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -20.887 21.411 18.570 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 -1.412 6.511 2.231 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 -0.592 6.951 2.011 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 -1.902 6.481 1.411 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 23.040 -4.865 8.735 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 23.860 -5.175 9.115 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 22.470 -5.635 8.745 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -22.776 19.902 -12.797 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -23.666 20.262 -12.847 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -22.876 18.972 -13.007 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -18.479 -13.502 21.893 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -17.909 -13.292 22.643 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -18.729 -12.652 21.533 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 14.498 19.371 -16.380 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 13.818 20.031 -16.490 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 14.888 19.281 -17.250 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 -4.130 -1.506 -1.062 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 -4.280 -2.446 -0.942 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 -4.680 -1.276 -1.812 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 21.670 15.904 23.695 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 21.410 15.664 22.805 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 21.590 15.094 24.195 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 24.530 12.863 -15.168 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 25.170 12.333 -15.638 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 25.030 13.293 -14.478 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 -2.139 -13.876 -11.894 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 -2.899 -13.436 -11.514 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 -2.239 -13.746 -12.834 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 13.096 15.127 -6.783 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 13.856 15.667 -6.963 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 13.386 14.517 -6.103 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 24.431 -6.217 11.382 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 24.951 -6.967 11.082 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 23.571 -6.577 11.562 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 19.736 3.048 15.688 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 19.206 2.248 15.588 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 19.116 3.758 15.548 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 17.701 -19.835 16.020 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 16.821 -19.495 15.840 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 17.571 -20.765 16.170 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 3.443 -17.926 22.615 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 2.923 -18.306 23.325 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 2.833 -17.866 21.875 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 19.571 11.950 -5.230 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 19.671 11.350 -4.500 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 20.311 11.750 -5.810 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 11.456 -11.061 23.159 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 10.616 -11.521 23.219 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 11.346 -10.461 22.419 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 1.709 -22.373 2.877 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 2.449 -22.493 2.277 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 0.939 -22.563 2.347 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 3.586 -13.348 4.276 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 3.566 -12.838 5.086 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 2.666 -13.538 4.086 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 15.858 22.682 1.513 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 15.688 21.892 2.023 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 16.818 22.732 1.453 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 19.576 20.438 -17.314 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 20.296 20.428 -17.944 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 19.646 21.288 -16.884 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 -19.733 -15.092 -6.700 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 -19.413 -15.962 -6.950 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 -19.943 -15.182 -5.770 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -14.120 4.211 -18.616 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -14.610 4.321 -17.806 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -14.250 3.301 -18.866 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 17.560 11.455 -7.053 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 18.150 10.725 -6.843 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 17.590 12.015 -6.273 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -20.441 5.085 18.767 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -20.641 5.415 19.647 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -21.121 5.465 18.207 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -3.280 -4.607 17.844 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -4.180 -4.907 17.724 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.210 -4.407 18.774 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 13.638 22.514 21.527 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 13.668 23.454 21.707 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 12.728 22.334 21.287 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 20.443 7.776 -10.418 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 20.823 7.826 -11.298 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 19.803 8.486 -10.388 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 10.121 -21.747 19.232 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 10.991 -22.087 19.462 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 10.011 -20.977 19.782 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 5.631 17.396 -16.120 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 5.301 16.856 -16.830 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 6.421 17.806 -16.470 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 -18.103 -21.475 -12.021 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 -18.423 -21.005 -12.781 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 -18.823 -21.455 -11.401 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 10.435 0.612 13.229 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 10.245 -0.068 13.869 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 11.085 0.222 12.649 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 -6.821 -22.860 8.551 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 -6.031 -22.810 9.081 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 -7.151 -21.960 8.531 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 17.944 -22.507 0.211 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 17.434 -21.817 -0.199 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 18.704 -22.627 -0.359 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 -13.457 -22.270 20.934 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 -12.607 -22.110 21.344 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 -13.287 -22.950 20.284 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 -13.035 -16.375 -19.408 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 -13.335 -15.935 -20.208 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 -12.265 -15.875 -19.138 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 -8.539 -11.460 4.592 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 -7.759 -11.980 4.422 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 -9.159 -11.730 3.902 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 -5.104 -7.009 21.592 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 -5.524 -6.329 22.112 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 -5.764 -7.709 21.532 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -17.143 20.579 -14.246 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -16.983 20.309 -13.346 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -16.293 20.869 -14.566 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 0.978 4.460 11.413 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 1.818 4.080 11.653 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 1.188 5.150 10.783 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 19.454 -14.029 25.335 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 20.004 -13.389 24.885 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 18.954 -14.449 24.645 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 16.090 24.447 -1.929 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 15.710 25.047 -2.569 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 15.560 24.567 -1.139 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 4.364 -1.359 -21.948 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 4.814 -2.009 -21.418 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 4.944 -0.599 -21.958 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 -23.476 -16.626 7.161 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 -22.816 -16.766 7.831 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 -23.136 -15.886 6.651 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 -4.015 8.704 -14.396 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 -3.245 9.254 -14.276 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 -3.655 7.844 -14.636 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 3.148 23.928 10.380 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 3.068 23.558 9.500 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 3.968 24.418 10.360 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 20.740 -18.635 8.768 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 20.560 -18.195 7.938 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 21.580 -18.255 9.058 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 7.343 -4.868 -18.104 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 6.673 -4.938 -17.424 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 8.053 -5.428 -17.784 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 20.658 -8.428 3.656 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 21.438 -8.208 3.156 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 20.328 -9.228 3.246 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -24.097 -19.570 -10.153 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -24.437 -18.810 -9.683 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.277 -19.780 -9.703 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -5.752 22.581 -17.662 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -5.212 23.011 -18.332 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -5.442 21.681 -17.642 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 -7.955 12.182 -21.331 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 -7.515 11.792 -20.571 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 -8.875 11.922 -21.241 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 10.217 20.770 -0.882 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 10.517 21.620 -1.202 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 10.087 20.910 0.058 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -14.641 15.002 12.746 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -13.881 15.272 13.266 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -14.651 15.602 11.996 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 21.784 5.645 -4.056 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 21.644 6.505 -3.676 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 22.564 5.305 -3.626 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 2.886 23.141 18.890 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 3.466 23.901 18.930 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 3.436 22.401 19.140 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 24.938 4.729 -24.077 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 24.968 4.489 -24.997 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 25.048 5.679 -24.057 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -23.773 20.599 25.045 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -24.033 20.379 24.145 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -24.343 20.059 25.595 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 12.300 -9.605 8.146 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 12.060 -9.285 7.266 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 11.620 -9.255 8.716 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 24.080 -19.102 19.243 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 24.710 -19.112 19.963 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 23.230 -19.242 19.673 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 5.237 20.075 22.035 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 4.817 20.435 21.255 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 4.567 19.535 22.445 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -10.943 15.536 -17.341 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -11.623 15.376 -18.001 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -11.143 14.936 -16.631 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 -19.794 -0.350 -12.248 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 -18.874 -0.260 -12.468 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 -19.924 -1.290 -12.148 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 7.395 12.589 -7.368 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 7.075 13.019 -8.158 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 8.035 11.949 -7.688 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 15.111 16.732 11.861 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 16.061 16.572 11.821 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 14.921 16.832 12.801 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -14.014 21.389 -22.755 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -14.094 21.209 -23.695 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -14.914 21.429 -22.445 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 24.639 3.965 -6.587 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 24.369 4.555 -7.287 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 25.229 4.495 -6.047 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 20.279 -8.797 8.506 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 20.069 -8.997 7.596 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 21.149 -9.187 8.636 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 23.891 -8.461 -9.111 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 23.971 -9.101 -8.411 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 24.431 -8.811 -9.821 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 19.331 -10.600 -4.759 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 19.611 -11.410 -5.189 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 18.701 -10.220 -5.369 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 25.511 9.334 7.123 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 24.881 9.924 7.553 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 24.991 8.874 6.473 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 0.751 -12.711 -8.179 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 0.271 -12.071 -8.699 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 0.341 -13.551 -8.389 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 24.150 4.204 -9.597 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 23.460 3.664 -9.207 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 24.880 3.604 -9.707 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 -11.936 12.312 -2.254 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 -12.786 12.292 -1.804 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 -11.916 13.162 -2.694 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -4.280 24.511 -15.663 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -3.590 23.971 -15.283 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -4.850 23.881 -16.123 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -20.774 -24.239 -5.931 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -21.624 -23.989 -5.551 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -20.674 -25.159 -5.691 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 7.244 -24.173 -5.929 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 7.854 -23.583 -6.359 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 6.394 -23.753 -6.019 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 7.487 -23.319 4.945 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 6.977 -22.809 4.325 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 6.877 -23.509 5.655 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 18.660 -15.574 20.125 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 19.020 -16.264 20.675 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 18.600 -14.814 20.705 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 21.149 11.768 15.989 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 21.749 12.508 15.929 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 20.329 12.088 15.619 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -17.643 -24.538 22.155 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -18.343 -25.178 22.305 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -16.873 -24.928 22.565 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 -13.182 -8.500 -6.878 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 -12.832 -8.760 -7.728 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 -14.122 -8.620 -6.958 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 -3.065 -20.046 11.691 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 -2.895 -20.376 12.581 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 -2.735 -19.146 11.701 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 0.020 -6.458 -0.786 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 -0.730 -6.618 -0.216 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 0.100 -7.258 -1.306 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 14.520 23.850 4.222 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 15.220 23.610 4.832 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 13.930 23.090 4.232 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.466 -7.565 12.635 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.176 -7.315 13.515 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.726 -8.485 12.715 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 15.644 -7.438 3.316 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 15.704 -8.088 4.016 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 16.524 -7.408 2.946 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -9.123 18.242 9.192 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -8.733 19.112 9.112 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -9.913 18.372 9.712 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -13.645 -14.867 6.291 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -13.505 -13.937 6.081 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -13.835 -14.877 7.231 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 19.874 -6.428 5.080 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 20.534 -5.858 4.690 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 19.954 -7.258 4.600 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 -21.576 0.119 12.050 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 -22.396 0.249 11.580 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 -21.246 -0.721 11.730 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 0.896 18.281 23.992 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 0.086 18.711 24.282 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 0.686 17.931 23.122 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 15.017 12.273 8.850 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 15.477 13.113 8.960 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 14.297 12.473 8.250 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 -9.406 11.533 17.880 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 -8.936 11.223 17.110 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 -8.726 11.663 18.540 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -21.894 -19.513 8.322 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -21.724 -20.323 7.852 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -22.814 -19.323 8.152 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 -5.093 -8.472 -23.241 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 -4.373 -8.402 -22.621 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 -4.863 -7.872 -23.951 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 9.647 0.451 23.545 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 8.827 0.751 23.155 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 9.967 -0.209 22.935 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 14.816 4.635 -3.448 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 13.956 4.955 -3.738 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 15.346 4.655 -4.238 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 4.696 19.155 5.850 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 4.686 18.695 6.690 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 3.826 19.555 5.780 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 15.003 17.689 23.775 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 15.423 17.969 22.955 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 14.493 18.449 24.045 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -23.897 -9.227 -16.804 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -23.957 -10.117 -16.454 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -24.577 -9.197 -17.474 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 4.134 -1.379 -0.591 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 3.864 -1.039 0.259 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 3.714 -0.789 -1.221 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 23.970 -18.641 -0.584 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 24.180 -18.551 -1.514 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 24.790 -18.901 -0.174 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 -17.743 18.110 -1.371 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 -17.473 17.490 -2.041 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 -18.183 18.810 -1.851 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 15.323 21.805 -8.828 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 15.323 22.545 -8.218 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 15.113 21.045 -8.288 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -3.455 -0.280 14.328 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -4.095 -0.810 13.848 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -3.975 0.420 14.728 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 -17.123 -7.243 21.705 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 -17.003 -7.623 20.835 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 -18.023 -6.903 21.685 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 -6.595 -10.208 -17.577 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 -7.005 -10.398 -16.737 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 -5.715 -10.578 -17.507 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -21.274 -0.622 17.681 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -20.514 -0.052 17.771 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -21.114 -1.122 16.871 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 -1.510 22.513 -9.871 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 -2.130 21.903 -9.471 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 -0.770 21.963 -10.121 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -10.226 -0.741 -17.499 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -10.876 -0.641 -18.189 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -9.596 -0.031 -17.649 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -13.240 3.989 -5.359 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -14.060 4.459 -5.169 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -12.640 4.669 -5.669 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 24.863 6.179 -1.537 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 25.183 5.619 -2.247 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 25.513 6.069 -0.837 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 -11.809 -0.634 -5.754 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 -11.469 -1.524 -5.754 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 -12.319 -0.564 -4.944 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -16.783 -10.102 -20.145 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -17.583 -10.222 -19.635 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -17.093 -9.832 -21.005 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -10.626 -7.505 13.141 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -11.576 -7.505 13.231 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -10.296 -7.765 14.001 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 3.267 1.608 6.849 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 2.537 2.158 6.569 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 3.147 1.508 7.789 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -6.790 -14.142 0.093 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -7.300 -13.412 0.453 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -6.690 -14.742 0.833 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.276 -1.859 -8.795 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.216 -1.899 -7.835 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 21.686 -2.539 -9.105 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 8.715 -24.919 8.361 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 8.945 -25.749 7.931 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 8.025 -24.549 7.811 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 -17.651 20.727 15.801 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 -17.551 21.077 14.911 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 -18.341 20.077 15.721 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.721 6.489 9.575 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.079 6.319 10.075 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.981 7.379 9.835 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 12.583 9.082 -17.221 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 12.373 8.382 -17.841 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 12.583 9.882 -17.751 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 7.109 7.649 -21.254 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 7.319 7.889 -20.354 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 7.869 7.139 -21.544 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -23.734 24.648 -4.162 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -24.334 24.168 -4.732 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -22.894 24.188 -4.242 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -10.325 2.174 -3.348 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -10.245 2.094 -4.298 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -9.715 1.524 -2.998 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 3.694 1.292 18.992 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 2.884 0.852 19.262 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 4.014 0.782 18.252 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -9.409 3.097 -17.122 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -9.149 3.907 -16.682 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -10.349 3.197 -17.272 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 -10.867 21.763 -22.355 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 -11.777 22.033 -22.265 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 -10.757 21.583 -23.285 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.270 0.563 -9.701 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.160 0.443 -10.641 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -22.210 0.693 -9.581 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 2.938 -1.611 -19.051 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 3.028 -1.201 -19.911 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 1.998 -1.761 -18.951 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.226 -1.960 16.047 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 17.256 -1.210 15.447 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 18.026 -1.880 16.567 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 -1.977 22.472 -23.618 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 -2.157 23.212 -23.038 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 -1.867 22.852 -24.488 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -19.314 10.880 13.167 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -20.074 10.320 13.277 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -18.714 10.620 13.867 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -20.714 19.334 7.273 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -19.904 19.844 7.323 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.124 19.624 6.463 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 -15.937 -23.772 18.353 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 -16.737 -23.572 17.873 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 -15.407 -22.972 18.283 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 9.238 -17.389 23.831 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 9.178 -17.419 24.781 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 9.418 -18.289 23.571 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -22.027 8.790 4.046 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -22.947 9.020 3.936 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -21.687 9.450 4.646 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 15.875 -8.158 17.319 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 16.265 -7.288 17.309 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 15.265 -8.148 18.059 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 -3.541 -6.131 -18.449 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 -3.111 -6.301 -17.609 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 -4.481 -6.141 -18.239 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 21.485 10.119 12.392 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 21.405 10.859 11.792 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 21.895 9.429 11.862 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -0.422 18.338 13.456 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -1.112 17.838 13.006 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -0.082 17.728 14.106 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 18.754 -21.820 -15.889 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 18.344 -21.140 -15.349 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 18.574 -22.630 -15.419 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -19.469 -22.510 -3.154 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -19.109 -22.820 -3.994 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.359 -22.230 -3.364 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 0.148 -19.347 23.347 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 0.708 -18.847 23.937 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -0.282 -19.987 23.907 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 17.609 7.417 3.709 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 16.739 7.347 4.109 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 17.549 8.157 3.109 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 17.167 -13.991 11.135 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 16.467 -14.641 11.045 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 16.837 -13.381 11.795 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 -6.464 0.711 -13.656 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 -6.464 1.201 -12.836 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 -6.784 1.341 -14.306 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 18.520 7.441 -6.878 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 19.020 8.201 -7.158 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 18.380 7.561 -5.938 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 14.304 -10.415 15.271 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 13.864 -10.265 16.111 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 14.664 -9.565 15.031 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 -3.556 17.109 21.932 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 -3.166 16.859 21.092 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 -2.846 17.029 22.562 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -12.394 -13.193 -14.336 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -12.954 -12.863 -15.036 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -11.504 -13.153 -14.696 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 -23.203 -19.089 19.789 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 -23.163 -18.139 19.889 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 -23.283 -19.419 20.689 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -14.669 -18.509 -12.371 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -14.529 -18.359 -13.301 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -15.099 -19.369 -12.331 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -16.453 5.791 -18.642 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -16.073 6.631 -18.912 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -15.723 5.311 -18.252 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 -2.807 16.735 7.611 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 -3.677 17.105 7.791 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 -2.217 17.485 7.681 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 -24.530 13.667 -19.384 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 -23.940 13.247 -20.014 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 -24.010 13.737 -18.584 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -9.701 9.480 -4.813 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -9.721 10.120 -5.523 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -9.911 8.640 -5.233 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 21.266 -6.843 -5.228 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 21.646 -7.673 -5.538 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 21.996 -6.373 -4.848 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -24.897 -4.451 18.666 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -25.677 -4.841 19.056 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.347 -4.221 19.416 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -18.357 21.695 -0.353 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -18.787 21.725 -1.213 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -17.457 21.975 -0.523 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 23.958 14.194 8.811 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 24.378 13.474 8.351 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 23.098 14.284 8.401 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 5.465 22.557 -14.198 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 5.345 22.177 -13.318 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 5.655 21.797 -14.748 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 -1.537 -22.860 15.629 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 -1.137 -23.530 16.189 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 -1.647 -23.290 14.789 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.387 19.876 15.445 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.937 19.346 14.865 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 13.987 20.216 16.095 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 10.956 3.198 15.783 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 10.066 3.218 16.143 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 10.946 2.468 15.163 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 -19.121 7.463 -22.349 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 -19.131 8.413 -22.379 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 -18.591 7.203 -23.109 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 0.383 10.035 -17.476 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 0.803 9.925 -16.626 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 -0.557 10.075 -17.286 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 -22.499 -7.314 -18.494 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 -22.869 -7.594 -19.324 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 -22.989 -7.794 -17.834 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 17.383 -18.620 -11.898 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 18.233 -18.850 -12.258 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 17.583 -18.120 -11.098 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 4.144 -20.799 3.432 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 5.024 -21.019 3.132 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 4.274 -20.379 4.272 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -7.785 -21.042 -16.008 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -8.375 -21.182 -16.738 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -7.675 -21.912 -15.618 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 24.775 -21.073 13.553 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 25.125 -21.963 13.493 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 25.535 -20.513 13.683 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 0.849 20.413 -18.110 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 -0.031 20.053 -18.000 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 0.969 20.483 -19.060 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -11.994 -7.516 6.825 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -12.064 -8.066 7.615 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -11.104 -7.156 6.875 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 -12.701 -7.962 22.590 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 -12.581 -8.822 23.000 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 -11.811 -7.652 22.430 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -18.683 5.445 16.526 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -19.353 5.015 15.996 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -19.093 6.255 16.836 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 -14.993 9.555 11.235 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 -14.793 9.405 12.165 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 -15.473 10.385 11.225 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -12.582 -13.777 22.123 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -12.332 -13.627 21.203 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -11.812 -14.207 22.513 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 -22.722 -12.151 -13.712 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 -23.392 -12.751 -14.022 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 -22.122 -12.061 -14.452 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -6.653 12.270 17.625 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -7.203 11.840 16.975 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -5.833 11.770 17.615 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 8.158 10.250 17.193 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 7.378 10.660 16.833 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 7.958 10.100 18.113 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 6.304 -19.027 -9.571 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 5.394 -19.167 -9.821 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 6.764 -19.797 -9.901 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 17.064 24.912 -21.101 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 17.964 25.002 -21.401 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 16.914 25.692 -20.561 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -0.407 22.593 1.292 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 0.173 23.353 1.262 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -0.827 22.583 0.432 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 0.386 24.137 -14.996 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 1.226 23.707 -15.176 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 0.566 24.707 -14.246 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 -6.665 10.342 -13.409 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 -5.965 9.712 -13.229 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 -7.015 10.562 -12.549 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 21.986 -22.869 14.595 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 21.296 -22.209 14.565 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 22.776 -22.399 14.325 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 25.273 -22.360 -11.930 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 25.293 -21.420 -12.070 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 24.653 -22.490 -11.210 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 19.041 10.150 -21.658 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 19.521 9.920 -20.868 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 18.441 10.840 -21.388 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 20.838 9.237 -3.895 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -23.495 -23.667 -18.264 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 11.536 -3.191 16.869 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 20.884 1.260 -2.048 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.743 -22.057 -24.460 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 -18.307 -11.782 12.097 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 -19.319 -25.060 -19.308 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -20.347 -19.248 -4.593 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 22.489 -18.017 -12.898 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -5.954 17.727 17.988 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 15.134 10.360 0.475 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.668 -14.449 -20.881 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 -15.335 17.229 -9.520 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 20.101 2.700 -4.255 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -22.731 -23.935 23.584 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 14.783 -21.218 -19.490 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 -17.410 -23.239 -13.181 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/input/e2s1_e1s1p0f4/structure.psf b/adaptivemd/input/e2s1_e1s1p0f4/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/input/e2s1_e1s1p0f4/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 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162 TIP3 H1 HT 0.417000 1.0080 0 + 796 WT0 162 TIP3 H2 HT 0.417000 1.0080 0 + 797 WT0 163 TIP3 OH2 OT -0.834000 15.9994 0 + 798 WT0 163 TIP3 H1 HT 0.417000 1.0080 0 + 799 WT0 163 TIP3 H2 HT 0.417000 1.0080 0 + 800 WT0 167 TIP3 OH2 OT -0.834000 15.9994 0 + 801 WT0 167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 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515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 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599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 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687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 0.417000 1.0080 0 + 1366 WT0 749 TIP3 H2 HT 0.417000 1.0080 0 + 1367 WT0 759 TIP3 OH2 OT -0.834000 15.9994 0 + 1368 WT0 759 TIP3 H1 HT 0.417000 1.0080 0 + 1369 WT0 759 TIP3 H2 HT 0.417000 1.0080 0 + 1370 WT0 761 TIP3 OH2 OT -0.834000 15.9994 0 + 1371 WT0 761 TIP3 H1 HT 0.417000 1.0080 0 + 1372 WT0 761 TIP3 H2 HT 0.417000 1.0080 0 + 1373 WT0 765 TIP3 OH2 OT -0.834000 15.9994 0 + 1374 WT0 765 TIP3 H1 HT 0.417000 1.0080 0 + 1375 WT0 765 TIP3 H2 HT 0.417000 1.0080 0 + 1376 WT0 778 TIP3 OH2 OT -0.834000 15.9994 0 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809 TIP3 H2 HT 0.417000 1.0080 0 + 1400 WT0 811 TIP3 OH2 OT -0.834000 15.9994 0 + 1401 WT0 811 TIP3 H1 HT 0.417000 1.0080 0 + 1402 WT0 811 TIP3 H2 HT 0.417000 1.0080 0 + 1403 WT0 813 TIP3 OH2 OT -0.834000 15.9994 0 + 1404 WT0 813 TIP3 H1 HT 0.417000 1.0080 0 + 1405 WT0 813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT -0.834000 15.9994 0 + 1413 WT0 822 TIP3 H1 HT 0.417000 1.0080 0 + 1414 WT0 822 TIP3 H2 HT 0.417000 1.0080 0 + 1415 WT0 835 TIP3 OH2 OT -0.834000 15.9994 0 + 1416 WT0 835 TIP3 H1 HT 0.417000 1.0080 0 + 1417 WT0 835 TIP3 H2 HT 0.417000 1.0080 0 + 1418 WT0 849 TIP3 OH2 OT -0.834000 15.9994 0 + 1419 WT0 849 TIP3 H1 HT 0.417000 1.0080 0 + 1420 WT0 849 TIP3 H2 HT 0.417000 1.0080 0 + 1421 WT0 852 TIP3 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942 TIP3 H2 HT 0.417000 1.0080 0 + 1511 WT0 947 TIP3 OH2 OT -0.834000 15.9994 0 + 1512 WT0 947 TIP3 H1 HT 0.417000 1.0080 0 + 1513 WT0 947 TIP3 H2 HT 0.417000 1.0080 0 + 1514 WT0 948 TIP3 OH2 OT -0.834000 15.9994 0 + 1515 WT0 948 TIP3 H1 HT 0.417000 1.0080 0 + 1516 WT0 948 TIP3 H2 HT 0.417000 1.0080 0 + 1517 WT0 949 TIP3 OH2 OT -0.834000 15.9994 0 + 1518 WT0 949 TIP3 H1 HT 0.417000 1.0080 0 + 1519 WT0 949 TIP3 H2 HT 0.417000 1.0080 0 + 1520 WT0 950 TIP3 OH2 OT -0.834000 15.9994 0 + 1521 WT0 950 TIP3 H1 HT 0.417000 1.0080 0 + 1522 WT0 950 TIP3 H2 HT 0.417000 1.0080 0 + 1523 WT0 951 TIP3 OH2 OT -0.834000 15.9994 0 + 1524 WT0 951 TIP3 H1 HT 0.417000 1.0080 0 + 1525 WT0 951 TIP3 H2 HT 0.417000 1.0080 0 + 1526 WT0 952 TIP3 OH2 OT -0.834000 15.9994 0 + 1527 WT0 952 TIP3 H1 HT 0.417000 1.0080 0 + 1528 WT0 952 TIP3 H2 HT 0.417000 1.0080 0 + 1529 WT0 953 TIP3 OH2 OT -0.834000 15.9994 0 + 1530 WT0 953 TIP3 H1 HT 0.417000 1.0080 0 + 1531 WT0 953 TIP3 H2 HT 0.417000 1.0080 0 + 1532 WT0 954 TIP3 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1.0080 0 + 1577 WT0 989 TIP3 OH2 OT -0.834000 15.9994 0 + 1578 WT0 989 TIP3 H1 HT 0.417000 1.0080 0 + 1579 WT0 989 TIP3 H2 HT 0.417000 1.0080 0 + 1580 WT0 990 TIP3 OH2 OT -0.834000 15.9994 0 + 1581 WT0 990 TIP3 H1 HT 0.417000 1.0080 0 + 1582 WT0 990 TIP3 H2 HT 0.417000 1.0080 0 + 1583 WT0 991 TIP3 OH2 OT -0.834000 15.9994 0 + 1584 WT0 991 TIP3 H1 HT 0.417000 1.0080 0 + 1585 WT0 991 TIP3 H2 HT 0.417000 1.0080 0 + 1586 WT0 992 TIP3 OH2 OT -0.834000 15.9994 0 + 1587 WT0 992 TIP3 H1 HT 0.417000 1.0080 0 + 1588 WT0 992 TIP3 H2 HT 0.417000 1.0080 0 + 1589 WT0 994 TIP3 OH2 OT -0.834000 15.9994 0 + 1590 WT0 994 TIP3 H1 HT 0.417000 1.0080 0 + 1591 WT0 994 TIP3 H2 HT 0.417000 1.0080 0 + 1592 WT0 995 TIP3 OH2 OT -0.834000 15.9994 0 + 1593 WT0 995 TIP3 H1 HT 0.417000 1.0080 0 + 1594 WT0 995 TIP3 H2 HT 0.417000 1.0080 0 + 1595 WT0 996 TIP3 OH2 OT -0.834000 15.9994 0 + 1596 WT0 996 TIP3 H1 HT 0.417000 1.0080 0 + 1597 WT0 996 TIP3 H2 HT 0.417000 1.0080 0 + 1598 WT0 1004 TIP3 OH2 OT -0.834000 15.9994 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1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 + 1670 WT0 1058 TIP3 OH2 OT -0.834000 15.9994 0 + 1671 WT0 1058 TIP3 H1 HT 0.417000 1.0080 0 + 1672 WT0 1058 TIP3 H2 HT 0.417000 1.0080 0 + 1673 WT0 1059 TIP3 OH2 OT -0.834000 15.9994 0 + 1674 WT0 1059 TIP3 H1 HT 0.417000 1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 + 1678 WT0 1060 TIP3 H2 HT 0.417000 1.0080 0 + 1679 WT0 1061 TIP3 OH2 OT -0.834000 15.9994 0 + 1680 WT0 1061 TIP3 H1 HT 0.417000 1.0080 0 + 1681 WT0 1061 TIP3 H2 HT 0.417000 1.0080 0 + 1682 WT0 1062 TIP3 OH2 OT -0.834000 15.9994 0 + 1683 WT0 1062 TIP3 H1 HT 0.417000 1.0080 0 + 1684 WT0 1062 TIP3 H2 HT 0.417000 1.0080 0 + 1685 WT0 1063 TIP3 OH2 OT 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1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 + 2299 WT0 1518 TIP3 H2 HT 0.417000 1.0080 0 + 2300 WT0 1519 TIP3 OH2 OT -0.834000 15.9994 0 + 2301 WT0 1519 TIP3 H1 HT 0.417000 1.0080 0 + 2302 WT0 1519 TIP3 H2 HT 0.417000 1.0080 0 + 2303 WT0 1520 TIP3 OH2 OT -0.834000 15.9994 0 + 2304 WT0 1520 TIP3 H1 HT 0.417000 1.0080 0 + 2305 WT0 1520 TIP3 H2 HT 0.417000 1.0080 0 + 2306 WT0 1522 TIP3 OH2 OT -0.834000 15.9994 0 + 2307 WT0 1522 TIP3 H1 HT 0.417000 1.0080 0 + 2308 WT0 1522 TIP3 H2 HT 0.417000 1.0080 0 + 2309 WT0 1524 TIP3 OH2 OT -0.834000 15.9994 0 + 2310 WT0 1524 TIP3 H1 HT 0.417000 1.0080 0 + 2311 WT0 1524 TIP3 H2 HT 0.417000 1.0080 0 + 2312 WT0 1526 TIP3 OH2 OT -0.834000 15.9994 0 + 2313 WT0 1526 TIP3 H1 HT 0.417000 1.0080 0 + 2314 WT0 1526 TIP3 H2 HT 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2640 WT0 1790 TIP3 H1 HT 0.417000 1.0080 0 + 2641 WT0 1790 TIP3 H2 HT 0.417000 1.0080 0 + 2642 WT0 1794 TIP3 OH2 OT -0.834000 15.9994 0 + 2643 WT0 1794 TIP3 H1 HT 0.417000 1.0080 0 + 2644 WT0 1794 TIP3 H2 HT 0.417000 1.0080 0 + 2645 WT0 1795 TIP3 OH2 OT -0.834000 15.9994 0 + 2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 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3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT -0.834000 15.9994 0 + 3666 WT0 2403 TIP3 H1 HT 0.417000 1.0080 0 + 3667 WT0 2403 TIP3 H2 HT 0.417000 1.0080 0 + 3668 WT0 2404 TIP3 OH2 OT -0.834000 15.9994 0 + 3669 WT0 2404 TIP3 H1 HT 0.417000 1.0080 0 + 3670 WT0 2404 TIP3 H2 HT 0.417000 1.0080 0 + 3671 WT0 2405 TIP3 OH2 OT -0.834000 15.9994 0 + 3672 WT0 2405 TIP3 H1 HT 0.417000 1.0080 0 + 3673 WT0 2405 TIP3 H2 HT 0.417000 1.0080 0 + 3674 WT0 2406 TIP3 OH2 OT -0.834000 15.9994 0 + 3675 WT0 2406 TIP3 H1 HT 0.417000 1.0080 0 + 3676 WT0 2406 TIP3 H2 HT 0.417000 1.0080 0 + 3677 WT0 2407 TIP3 OH2 OT -0.834000 15.9994 0 + 3678 WT0 2407 TIP3 H1 HT 0.417000 1.0080 0 + 3679 WT0 2407 TIP3 H2 HT 0.417000 1.0080 0 + 3680 WT0 2408 TIP3 OH2 OT -0.834000 15.9994 0 + 3681 WT0 2408 TIP3 H1 HT 0.417000 1.0080 0 + 3682 WT0 2408 TIP3 H2 HT 0.417000 1.0080 0 + 3683 WT0 2409 TIP3 OH2 OT -0.834000 15.9994 0 + 3684 WT0 2409 TIP3 H1 HT 0.417000 1.0080 0 + 3685 WT0 2409 TIP3 H2 HT 0.417000 1.0080 0 + 3686 WT0 2411 TIP3 OH2 OT -0.834000 15.9994 0 + 3687 WT0 2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3725 WT0 2430 TIP3 OH2 OT -0.834000 15.9994 0 + 3726 WT0 2430 TIP3 H1 HT 0.417000 1.0080 0 + 3727 WT0 2430 TIP3 H2 HT 0.417000 1.0080 0 + 3728 WT0 2432 TIP3 OH2 OT -0.834000 15.9994 0 + 3729 WT0 2432 TIP3 H1 HT 0.417000 1.0080 0 + 3730 WT0 2432 TIP3 H2 HT 0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT -0.834000 15.9994 0 + 3948 WT0 2610 TIP3 H1 HT 0.417000 1.0080 0 + 3949 WT0 2610 TIP3 H2 HT 0.417000 1.0080 0 + 3950 WT0 2613 TIP3 OH2 OT -0.834000 15.9994 0 + 3951 WT0 2613 TIP3 H1 HT 0.417000 1.0080 0 + 3952 WT0 2613 TIP3 H2 HT 0.417000 1.0080 0 + 3953 WT0 2616 TIP3 OH2 OT -0.834000 15.9994 0 + 3954 WT0 2616 TIP3 H1 HT 0.417000 1.0080 0 + 3955 WT0 2616 TIP3 H2 HT 0.417000 1.0080 0 + 3956 WT0 2617 TIP3 OH2 OT -0.834000 15.9994 0 + 3957 WT0 2617 TIP3 H1 HT 0.417000 1.0080 0 + 3958 WT0 2617 TIP3 H2 HT 0.417000 1.0080 0 + 3959 WT0 2618 TIP3 OH2 OT -0.834000 15.9994 0 + 3960 WT0 2618 TIP3 H1 HT 0.417000 1.0080 0 + 3961 WT0 2618 TIP3 H2 HT 0.417000 1.0080 0 + 3962 WT0 2628 TIP3 OH2 OT -0.834000 15.9994 0 + 3963 WT0 2628 TIP3 H1 HT 0.417000 1.0080 0 + 3964 WT0 2628 TIP3 H2 HT 0.417000 1.0080 0 + 3965 WT0 2634 TIP3 OH2 OT -0.834000 15.9994 0 + 3966 WT0 2634 TIP3 H1 HT 0.417000 1.0080 0 + 3967 WT0 2634 TIP3 H2 HT 0.417000 1.0080 0 + 3968 WT0 2635 TIP3 OH2 OT -0.834000 15.9994 0 + 3969 WT0 2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4007 WT0 2670 TIP3 OH2 OT -0.834000 15.9994 0 + 4008 WT0 2670 TIP3 H1 HT 0.417000 1.0080 0 + 4009 WT0 2670 TIP3 H2 HT 0.417000 1.0080 0 + 4010 WT0 2673 TIP3 OH2 OT -0.834000 15.9994 0 + 4011 WT0 2673 TIP3 H1 HT 0.417000 1.0080 0 + 4012 WT0 2673 TIP3 H2 HT 0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT 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2808 TIP3 H1 HT 0.417000 1.0080 0 + 4246 WT0 2808 TIP3 H2 HT 0.417000 1.0080 0 + 4247 WT0 2809 TIP3 OH2 OT -0.834000 15.9994 0 + 4248 WT0 2809 TIP3 H1 HT 0.417000 1.0080 0 + 4249 WT0 2809 TIP3 H2 HT 0.417000 1.0080 0 + 4250 WT0 2815 TIP3 OH2 OT -0.834000 15.9994 0 + 4251 WT0 2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4289 WT0 2840 TIP3 OH2 OT -0.834000 15.9994 0 + 4290 WT0 2840 TIP3 H1 HT 0.417000 1.0080 0 + 4291 WT0 2840 TIP3 H2 HT 0.417000 1.0080 0 + 4292 WT0 2842 TIP3 OH2 OT -0.834000 15.9994 0 + 4293 WT0 2842 TIP3 H1 HT 0.417000 1.0080 0 + 4294 WT0 2842 TIP3 H2 HT 0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 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4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 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2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 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4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT -0.834000 15.9994 0 + 4794 WT0 3192 TIP3 H1 HT 0.417000 1.0080 0 + 4795 WT0 3192 TIP3 H2 HT 0.417000 1.0080 0 + 4796 WT0 3193 TIP3 OH2 OT -0.834000 15.9994 0 + 4797 WT0 3193 TIP3 H1 HT 0.417000 1.0080 0 + 4798 WT0 3193 TIP3 H2 HT 0.417000 1.0080 0 + 4799 WT0 3196 TIP3 OH2 OT -0.834000 15.9994 0 + 4800 WT0 3196 TIP3 H1 HT 0.417000 1.0080 0 + 4801 WT0 3196 TIP3 H2 HT 0.417000 1.0080 0 + 4802 WT0 3197 TIP3 OH2 OT -0.834000 15.9994 0 + 4803 WT0 3197 TIP3 H1 HT 0.417000 1.0080 0 + 4804 WT0 3197 TIP3 H2 HT 0.417000 1.0080 0 + 4805 WT0 3198 TIP3 OH2 OT -0.834000 15.9994 0 + 4806 WT0 3198 TIP3 H1 HT 0.417000 1.0080 0 + 4807 WT0 3198 TIP3 H2 HT 0.417000 1.0080 0 + 4808 WT0 3203 TIP3 OH2 OT -0.834000 15.9994 0 + 4809 WT0 3203 TIP3 H1 HT 0.417000 1.0080 0 + 4810 WT0 3203 TIP3 H2 HT 0.417000 1.0080 0 + 4811 WT0 3205 TIP3 OH2 OT -0.834000 15.9994 0 + 4812 WT0 3205 TIP3 H1 HT 0.417000 1.0080 0 + 4813 WT0 3205 TIP3 H2 HT 0.417000 1.0080 0 + 4814 WT0 3207 TIP3 OH2 OT -0.834000 15.9994 0 + 4815 WT0 3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4853 WT0 3234 TIP3 OH2 OT -0.834000 15.9994 0 + 4854 WT0 3234 TIP3 H1 HT 0.417000 1.0080 0 + 4855 WT0 3234 TIP3 H2 HT 0.417000 1.0080 0 + 4856 WT0 3236 TIP3 OH2 OT -0.834000 15.9994 0 + 4857 WT0 3236 TIP3 H1 HT 0.417000 1.0080 0 + 4858 WT0 3236 TIP3 H2 HT 0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 + 5416 WT0 3628 TIP3 H2 HT 0.417000 1.0080 0 + 5417 WT0 3629 TIP3 OH2 OT -0.834000 15.9994 0 + 5418 WT0 3629 TIP3 H1 HT 0.417000 1.0080 0 + 5419 WT0 3629 TIP3 H2 HT 0.417000 1.0080 0 + 5420 WT0 3633 TIP3 OH2 OT -0.834000 15.9994 0 + 5421 WT0 3633 TIP3 H1 HT 0.417000 1.0080 0 + 5422 WT0 3633 TIP3 H2 HT 0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT -0.834000 15.9994 0 + 5922 WT0 3997 TIP3 H1 HT 0.417000 1.0080 0 + 5923 WT0 3997 TIP3 H2 HT 0.417000 1.0080 0 + 5924 WT0 3998 TIP3 OH2 OT -0.834000 15.9994 0 + 5925 WT0 3998 TIP3 H1 HT 0.417000 1.0080 0 + 5926 WT0 3998 TIP3 H2 HT 0.417000 1.0080 0 + 5927 WT0 3999 TIP3 OH2 OT -0.834000 15.9994 0 + 5928 WT0 3999 TIP3 H1 HT 0.417000 1.0080 0 + 5929 WT0 3999 TIP3 H2 HT 0.417000 1.0080 0 + 5930 WT0 4000 TIP3 OH2 OT -0.834000 15.9994 0 + 5931 WT0 4000 TIP3 H1 HT 0.417000 1.0080 0 + 5932 WT0 4000 TIP3 H2 HT 0.417000 1.0080 0 + 5933 WT0 4001 TIP3 OH2 OT -0.834000 15.9994 0 + 5934 WT0 4001 TIP3 H1 HT 0.417000 1.0080 0 + 5935 WT0 4001 TIP3 H2 HT 0.417000 1.0080 0 + 5936 WT0 4002 TIP3 OH2 OT -0.834000 15.9994 0 + 5937 WT0 4002 TIP3 H1 HT 0.417000 1.0080 0 + 5938 WT0 4002 TIP3 H2 HT 0.417000 1.0080 0 + 5939 WT0 4004 TIP3 OH2 OT -0.834000 15.9994 0 + 5940 WT0 4004 TIP3 H1 HT 0.417000 1.0080 0 + 5941 WT0 4004 TIP3 H2 HT 0.417000 1.0080 0 + 5942 WT0 4005 TIP3 OH2 OT -0.834000 15.9994 0 + 5943 WT0 4005 TIP3 H1 HT 0.417000 1.0080 0 + 5944 WT0 4005 TIP3 H2 HT 0.417000 1.0080 0 + 5945 WT0 4006 TIP3 OH2 OT -0.834000 15.9994 0 + 5946 WT0 4006 TIP3 H1 HT 0.417000 1.0080 0 + 5947 WT0 4006 TIP3 H2 HT 0.417000 1.0080 0 + 5948 WT0 4008 TIP3 OH2 OT -0.834000 15.9994 0 + 5949 WT0 4008 TIP3 H1 HT 0.417000 1.0080 0 + 5950 WT0 4008 TIP3 H2 HT 0.417000 1.0080 0 + 5951 WT0 4009 TIP3 OH2 OT -0.834000 15.9994 0 + 5952 WT0 4009 TIP3 H1 HT 0.417000 1.0080 0 + 5953 WT0 4009 TIP3 H2 HT 0.417000 1.0080 0 + 5954 WT0 4010 TIP3 OH2 OT -0.834000 15.9994 0 + 5955 WT0 4010 TIP3 H1 HT 0.417000 1.0080 0 + 5956 WT0 4010 TIP3 H2 HT 0.417000 1.0080 0 + 5957 WT0 4012 TIP3 OH2 OT -0.834000 15.9994 0 + 5958 WT0 4012 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5981 WT0 4022 TIP3 OH2 OT -0.834000 15.9994 0 + 5982 WT0 4022 TIP3 H1 HT 0.417000 1.0080 0 + 5983 WT0 4022 TIP3 H2 HT 0.417000 1.0080 0 + 5984 WT0 4026 TIP3 OH2 OT -0.834000 15.9994 0 + 5985 WT0 4026 TIP3 H1 HT 0.417000 1.0080 0 + 5986 WT0 4026 TIP3 H2 HT 0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 1.0080 0 + 5995 WT0 4035 TIP3 H2 HT 0.417000 1.0080 0 + 5996 WT0 4036 TIP3 OH2 OT -0.834000 15.9994 0 + 5997 WT0 4036 TIP3 H1 HT 0.417000 1.0080 0 + 5998 WT0 4036 TIP3 H2 HT 0.417000 1.0080 0 + 5999 WT0 4037 TIP3 OH2 OT -0.834000 15.9994 0 + 6000 WT0 4037 TIP3 H1 HT 0.417000 1.0080 0 + 6001 WT0 4037 TIP3 H2 HT 0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 6068 WT0 4077 TIP3 OH2 OT -0.834000 15.9994 0 + 6069 WT0 4077 TIP3 H1 HT 0.417000 1.0080 0 + 6070 WT0 4077 TIP3 H2 HT 0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 1.0080 0 + 6187 WT0 4147 TIP3 H2 HT 0.417000 1.0080 0 + 6188 WT0 4148 TIP3 OH2 OT -0.834000 15.9994 0 + 6189 WT0 4148 TIP3 H1 HT 0.417000 1.0080 0 + 6190 WT0 4148 TIP3 H2 HT 0.417000 1.0080 0 + 6191 WT0 4149 TIP3 OH2 OT -0.834000 15.9994 0 + 6192 WT0 4149 TIP3 H1 HT 0.417000 1.0080 0 + 6193 WT0 4149 TIP3 H2 HT 0.417000 1.0080 0 + 6194 WT0 4150 TIP3 OH2 OT -0.834000 15.9994 0 + 6195 WT0 4150 TIP3 H1 HT 0.417000 1.0080 0 + 6196 WT0 4150 TIP3 H2 HT 0.417000 1.0080 0 + 6197 WT0 4151 TIP3 OH2 OT 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0.417000 1.0080 0 + 6263 WT0 4191 TIP3 OH2 OT -0.834000 15.9994 0 + 6264 WT0 4191 TIP3 H1 HT 0.417000 1.0080 0 + 6265 WT0 4191 TIP3 H2 HT 0.417000 1.0080 0 + 6266 WT0 4192 TIP3 OH2 OT -0.834000 15.9994 0 + 6267 WT0 4192 TIP3 H1 HT 0.417000 1.0080 0 + 6268 WT0 4192 TIP3 H2 HT 0.417000 1.0080 0 + 6269 WT0 4194 TIP3 OH2 OT -0.834000 15.9994 0 + 6270 WT0 4194 TIP3 H1 HT 0.417000 1.0080 0 + 6271 WT0 4194 TIP3 H2 HT 0.417000 1.0080 0 + 6272 WT0 4198 TIP3 OH2 OT -0.834000 15.9994 0 + 6273 WT0 4198 TIP3 H1 HT 0.417000 1.0080 0 + 6274 WT0 4198 TIP3 H2 HT 0.417000 1.0080 0 + 6275 WT0 4200 TIP3 OH2 OT -0.834000 15.9994 0 + 6276 WT0 4200 TIP3 H1 HT 0.417000 1.0080 0 + 6277 WT0 4200 TIP3 H2 HT 0.417000 1.0080 0 + 6278 WT0 4201 TIP3 OH2 OT -0.834000 15.9994 0 + 6279 WT0 4201 TIP3 H1 HT 0.417000 1.0080 0 + 6280 WT0 4201 TIP3 H2 HT 0.417000 1.0080 0 + 6281 WT0 4202 TIP3 OH2 OT -0.834000 15.9994 0 + 6282 WT0 4202 TIP3 H1 HT 0.417000 1.0080 0 + 6283 WT0 4202 TIP3 H2 HT 0.417000 1.0080 0 + 6284 WT0 4205 TIP3 OH2 OT -0.834000 15.9994 0 + 6285 WT0 4205 TIP3 H1 HT 0.417000 1.0080 0 + 6286 WT0 4205 TIP3 H2 HT 0.417000 1.0080 0 + 6287 WT0 4206 TIP3 OH2 OT -0.834000 15.9994 0 + 6288 WT0 4206 TIP3 H1 HT 0.417000 1.0080 0 + 6289 WT0 4206 TIP3 H2 HT 0.417000 1.0080 0 + 6290 WT0 4207 TIP3 OH2 OT -0.834000 15.9994 0 + 6291 WT0 4207 TIP3 H1 HT 0.417000 1.0080 0 + 6292 WT0 4207 TIP3 H2 HT 0.417000 1.0080 0 + 6293 WT0 4208 TIP3 OH2 OT -0.834000 15.9994 0 + 6294 WT0 4208 TIP3 H1 HT 0.417000 1.0080 0 + 6295 WT0 4208 TIP3 H2 HT 0.417000 1.0080 0 + 6296 WT0 4209 TIP3 OH2 OT -0.834000 15.9994 0 + 6297 WT0 4209 TIP3 H1 HT 0.417000 1.0080 0 + 6298 WT0 4209 TIP3 H2 HT 0.417000 1.0080 0 + 6299 WT0 4210 TIP3 OH2 OT -0.834000 15.9994 0 + 6300 WT0 4210 TIP3 H1 HT 0.417000 1.0080 0 + 6301 WT0 4210 TIP3 H2 HT 0.417000 1.0080 0 + 6302 WT0 4211 TIP3 OH2 OT -0.834000 15.9994 0 + 6303 WT0 4211 TIP3 H1 HT 0.417000 1.0080 0 + 6304 WT0 4211 TIP3 H2 HT 0.417000 1.0080 0 + 6305 WT0 4212 TIP3 OH2 OT -0.834000 15.9994 0 + 6306 WT0 4212 TIP3 H1 HT 0.417000 1.0080 0 + 6307 WT0 4212 TIP3 H2 HT 0.417000 1.0080 0 + 6308 WT0 4213 TIP3 OH2 OT -0.834000 15.9994 0 + 6309 WT0 4213 TIP3 H1 HT 0.417000 1.0080 0 + 6310 WT0 4213 TIP3 H2 HT 0.417000 1.0080 0 + 6311 WT0 4215 TIP3 OH2 OT -0.834000 15.9994 0 + 6312 WT0 4215 TIP3 H1 HT 0.417000 1.0080 0 + 6313 WT0 4215 TIP3 H2 HT 0.417000 1.0080 0 + 6314 WT0 4216 TIP3 OH2 OT -0.834000 15.9994 0 + 6315 WT0 4216 TIP3 H1 HT 0.417000 1.0080 0 + 6316 WT0 4216 TIP3 H2 HT 0.417000 1.0080 0 + 6317 WT0 4218 TIP3 OH2 OT -0.834000 15.9994 0 + 6318 WT0 4218 TIP3 H1 HT 0.417000 1.0080 0 + 6319 WT0 4218 TIP3 H2 HT 0.417000 1.0080 0 + 6320 WT0 4219 TIP3 OH2 OT -0.834000 15.9994 0 + 6321 WT0 4219 TIP3 H1 HT 0.417000 1.0080 0 + 6322 WT0 4219 TIP3 H2 HT 0.417000 1.0080 0 + 6323 WT0 4224 TIP3 OH2 OT -0.834000 15.9994 0 + 6324 WT0 4224 TIP3 H1 HT 0.417000 1.0080 0 + 6325 WT0 4224 TIP3 H2 HT 0.417000 1.0080 0 + 6326 WT0 4225 TIP3 OH2 OT -0.834000 15.9994 0 + 6327 WT0 4225 TIP3 H1 HT 0.417000 1.0080 0 + 6328 WT0 4225 TIP3 H2 HT 0.417000 1.0080 0 + 6329 WT0 4226 TIP3 OH2 OT -0.834000 15.9994 0 + 6330 WT0 4226 TIP3 H1 HT 0.417000 1.0080 0 + 6331 WT0 4226 TIP3 H2 HT 0.417000 1.0080 0 + 6332 WT0 4227 TIP3 OH2 OT -0.834000 15.9994 0 + 6333 WT0 4227 TIP3 H1 HT 0.417000 1.0080 0 + 6334 WT0 4227 TIP3 H2 HT 0.417000 1.0080 0 + 6335 WT0 4228 TIP3 OH2 OT -0.834000 15.9994 0 + 6336 WT0 4228 TIP3 H1 HT 0.417000 1.0080 0 + 6337 WT0 4228 TIP3 H2 HT 0.417000 1.0080 0 + 6338 WT0 4229 TIP3 OH2 OT -0.834000 15.9994 0 + 6339 WT0 4229 TIP3 H1 HT 0.417000 1.0080 0 + 6340 WT0 4229 TIP3 H2 HT 0.417000 1.0080 0 + 6341 WT0 4230 TIP3 OH2 OT -0.834000 15.9994 0 + 6342 WT0 4230 TIP3 H1 HT 0.417000 1.0080 0 + 6343 WT0 4230 TIP3 H2 HT 0.417000 1.0080 0 + 6344 WT0 4232 TIP3 OH2 OT -0.834000 15.9994 0 + 6345 WT0 4232 TIP3 H1 HT 0.417000 1.0080 0 + 6346 WT0 4232 TIP3 H2 HT 0.417000 1.0080 0 + 6347 WT0 4233 TIP3 OH2 OT -0.834000 15.9994 0 + 6348 WT0 4233 TIP3 H1 HT 0.417000 1.0080 0 + 6349 WT0 4233 TIP3 H2 HT 0.417000 1.0080 0 + 6350 WT0 4234 TIP3 OH2 OT -0.834000 15.9994 0 + 6351 WT0 4234 TIP3 H1 HT 0.417000 1.0080 0 + 6352 WT0 4234 TIP3 H2 HT 0.417000 1.0080 0 + 6353 WT0 4235 TIP3 OH2 OT -0.834000 15.9994 0 + 6354 WT0 4235 TIP3 H1 HT 0.417000 1.0080 0 + 6355 WT0 4235 TIP3 H2 HT 0.417000 1.0080 0 + 6356 WT0 4236 TIP3 OH2 OT -0.834000 15.9994 0 + 6357 WT0 4236 TIP3 H1 HT 0.417000 1.0080 0 + 6358 WT0 4236 TIP3 H2 HT 0.417000 1.0080 0 + 6359 WT0 4238 TIP3 OH2 OT -0.834000 15.9994 0 + 6360 WT0 4238 TIP3 H1 HT 0.417000 1.0080 0 + 6361 WT0 4238 TIP3 H2 HT 0.417000 1.0080 0 + 6362 WT0 4243 TIP3 OH2 OT -0.834000 15.9994 0 + 6363 WT0 4243 TIP3 H1 HT 0.417000 1.0080 0 + 6364 WT0 4243 TIP3 H2 HT 0.417000 1.0080 0 + 6365 WT0 4245 TIP3 OH2 OT -0.834000 15.9994 0 + 6366 WT0 4245 TIP3 H1 HT 0.417000 1.0080 0 + 6367 WT0 4245 TIP3 H2 HT 0.417000 1.0080 0 + 6368 WT0 4247 TIP3 OH2 OT -0.834000 15.9994 0 + 6369 WT0 4247 TIP3 H1 HT 0.417000 1.0080 0 + 6370 WT0 4247 TIP3 H2 HT 0.417000 1.0080 0 + 6371 WT0 4248 TIP3 OH2 OT -0.834000 15.9994 0 + 6372 WT0 4248 TIP3 H1 HT 0.417000 1.0080 0 + 6373 WT0 4248 TIP3 H2 HT 0.417000 1.0080 0 + 6374 WT0 4249 TIP3 OH2 OT -0.834000 15.9994 0 + 6375 WT0 4249 TIP3 H1 HT 0.417000 1.0080 0 + 6376 WT0 4249 TIP3 H2 HT 0.417000 1.0080 0 + 6377 WT0 4251 TIP3 OH2 OT -0.834000 15.9994 0 + 6378 WT0 4251 TIP3 H1 HT 0.417000 1.0080 0 + 6379 WT0 4251 TIP3 H2 HT 0.417000 1.0080 0 + 6380 WT0 4255 TIP3 OH2 OT -0.834000 15.9994 0 + 6381 WT0 4255 TIP3 H1 HT 0.417000 1.0080 0 + 6382 WT0 4255 TIP3 H2 HT 0.417000 1.0080 0 + 6383 WT0 4256 TIP3 OH2 OT -0.834000 15.9994 0 + 6384 WT0 4256 TIP3 H1 HT 0.417000 1.0080 0 + 6385 WT0 4256 TIP3 H2 HT 0.417000 1.0080 0 + 6386 WT0 4257 TIP3 OH2 OT -0.834000 15.9994 0 + 6387 WT0 4257 TIP3 H1 HT 0.417000 1.0080 0 + 6388 WT0 4257 TIP3 H2 HT 0.417000 1.0080 0 + 6389 WT0 4260 TIP3 OH2 OT -0.834000 15.9994 0 + 6390 WT0 4260 TIP3 H1 HT 0.417000 1.0080 0 + 6391 WT0 4260 TIP3 H2 HT 0.417000 1.0080 0 + 6392 WT0 4262 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6415 WT0 4277 TIP3 H2 HT 0.417000 1.0080 0 + 6416 WT0 4278 TIP3 OH2 OT -0.834000 15.9994 0 + 6417 WT0 4278 TIP3 H1 HT 0.417000 1.0080 0 + 6418 WT0 4278 TIP3 H2 HT 0.417000 1.0080 0 + 6419 WT0 4282 TIP3 OH2 OT -0.834000 15.9994 0 + 6420 WT0 4282 TIP3 H1 HT 0.417000 1.0080 0 + 6421 WT0 4282 TIP3 H2 HT 0.417000 1.0080 0 + 6422 WT0 4283 TIP3 OH2 OT -0.834000 15.9994 0 + 6423 WT0 4283 TIP3 H1 HT 0.417000 1.0080 0 + 6424 WT0 4283 TIP3 H2 HT 0.417000 1.0080 0 + 6425 WT0 4287 TIP3 OH2 OT -0.834000 15.9994 0 + 6426 WT0 4287 TIP3 H1 HT 0.417000 1.0080 0 + 6427 WT0 4287 TIP3 H2 HT 0.417000 1.0080 0 + 6428 WT0 4288 TIP3 OH2 OT -0.834000 15.9994 0 + 6429 WT0 4288 TIP3 H1 HT 0.417000 1.0080 0 + 6430 WT0 4288 TIP3 H2 HT 0.417000 1.0080 0 + 6431 WT0 4291 TIP3 OH2 OT -0.834000 15.9994 0 + 6432 WT0 4291 TIP3 H1 HT 0.417000 1.0080 0 + 6433 WT0 4291 TIP3 H2 HT 0.417000 1.0080 0 + 6434 WT0 4292 TIP3 OH2 OT -0.834000 15.9994 0 + 6435 WT0 4292 TIP3 H1 HT 0.417000 1.0080 0 + 6436 WT0 4292 TIP3 H2 HT 0.417000 1.0080 0 + 6437 WT0 4293 TIP3 OH2 OT -0.834000 15.9994 0 + 6438 WT0 4293 TIP3 H1 HT 0.417000 1.0080 0 + 6439 WT0 4293 TIP3 H2 HT 0.417000 1.0080 0 + 6440 WT0 4294 TIP3 OH2 OT -0.834000 15.9994 0 + 6441 WT0 4294 TIP3 H1 HT 0.417000 1.0080 0 + 6442 WT0 4294 TIP3 H2 HT 0.417000 1.0080 0 + 6443 WT0 4295 TIP3 OH2 OT -0.834000 15.9994 0 + 6444 WT0 4295 TIP3 H1 HT 0.417000 1.0080 0 + 6445 WT0 4295 TIP3 H2 HT 0.417000 1.0080 0 + 6446 WT0 4296 TIP3 OH2 OT -0.834000 15.9994 0 + 6447 WT0 4296 TIP3 H1 HT 0.417000 1.0080 0 + 6448 WT0 4296 TIP3 H2 HT 0.417000 1.0080 0 + 6449 WT0 4297 TIP3 OH2 OT -0.834000 15.9994 0 + 6450 WT0 4297 TIP3 H1 HT 0.417000 1.0080 0 + 6451 WT0 4297 TIP3 H2 HT 0.417000 1.0080 0 + 6452 WT0 4298 TIP3 OH2 OT -0.834000 15.9994 0 + 6453 WT0 4298 TIP3 H1 HT 0.417000 1.0080 0 + 6454 WT0 4298 TIP3 H2 HT 0.417000 1.0080 0 + 6455 WT0 4304 TIP3 OH2 OT -0.834000 15.9994 0 + 6456 WT0 4304 TIP3 H1 HT 0.417000 1.0080 0 + 6457 WT0 4304 TIP3 H2 HT 0.417000 1.0080 0 + 6458 WT0 4306 TIP3 OH2 OT -0.834000 15.9994 0 + 6459 WT0 4306 TIP3 H1 HT 0.417000 1.0080 0 + 6460 WT0 4306 TIP3 H2 HT 0.417000 1.0080 0 + 6461 WT0 4307 TIP3 OH2 OT -0.834000 15.9994 0 + 6462 WT0 4307 TIP3 H1 HT 0.417000 1.0080 0 + 6463 WT0 4307 TIP3 H2 HT 0.417000 1.0080 0 + 6464 WT0 4311 TIP3 OH2 OT -0.834000 15.9994 0 + 6465 WT0 4311 TIP3 H1 HT 0.417000 1.0080 0 + 6466 WT0 4311 TIP3 H2 HT 0.417000 1.0080 0 + 6467 WT0 4313 TIP3 OH2 OT -0.834000 15.9994 0 + 6468 WT0 4313 TIP3 H1 HT 0.417000 1.0080 0 + 6469 WT0 4313 TIP3 H2 HT 0.417000 1.0080 0 + 6470 WT0 4319 TIP3 OH2 OT -0.834000 15.9994 0 + 6471 WT0 4319 TIP3 H1 HT 0.417000 1.0080 0 + 6472 WT0 4319 TIP3 H2 HT 0.417000 1.0080 0 + 6473 WT0 4321 TIP3 OH2 OT -0.834000 15.9994 0 + 6474 WT0 4321 TIP3 H1 HT 0.417000 1.0080 0 + 6475 WT0 4321 TIP3 H2 HT 0.417000 1.0080 0 + 6476 WT0 4328 TIP3 OH2 OT -0.834000 15.9994 0 + 6477 WT0 4328 TIP3 H1 HT 0.417000 1.0080 0 + 6478 WT0 4328 TIP3 H2 HT 0.417000 1.0080 0 + 6479 WT0 4336 TIP3 OH2 OT 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4374 TIP3 H1 HT 0.417000 1.0080 0 + 6502 WT0 4374 TIP3 H2 HT 0.417000 1.0080 0 + 6503 WT0 4379 TIP3 OH2 OT -0.834000 15.9994 0 + 6504 WT0 4379 TIP3 H1 HT 0.417000 1.0080 0 + 6505 WT0 4379 TIP3 H2 HT 0.417000 1.0080 0 + 6506 WT0 4380 TIP3 OH2 OT -0.834000 15.9994 0 + 6507 WT0 4380 TIP3 H1 HT 0.417000 1.0080 0 + 6508 WT0 4380 TIP3 H2 HT 0.417000 1.0080 0 + 6509 WT0 4382 TIP3 OH2 OT -0.834000 15.9994 0 + 6510 WT0 4382 TIP3 H1 HT 0.417000 1.0080 0 + 6511 WT0 4382 TIP3 H2 HT 0.417000 1.0080 0 + 6512 WT0 4394 TIP3 OH2 OT -0.834000 15.9994 0 + 6513 WT0 4394 TIP3 H1 HT 0.417000 1.0080 0 + 6514 WT0 4394 TIP3 H2 HT 0.417000 1.0080 0 + 6515 WT0 4396 TIP3 OH2 OT -0.834000 15.9994 0 + 6516 WT0 4396 TIP3 H1 HT 0.417000 1.0080 0 + 6517 WT0 4396 TIP3 H2 HT 0.417000 1.0080 0 + 6518 WT0 4401 TIP3 OH2 OT -0.834000 15.9994 0 + 6519 WT0 4401 TIP3 H1 HT 0.417000 1.0080 0 + 6520 WT0 4401 TIP3 H2 HT 0.417000 1.0080 0 + 6521 WT0 4404 TIP3 OH2 OT -0.834000 15.9994 0 + 6522 WT0 4404 TIP3 H1 HT 0.417000 1.0080 0 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TIP3 OH2 OT -0.834000 15.9994 0 + 6567 WT0 4453 TIP3 H1 HT 0.417000 1.0080 0 + 6568 WT0 4453 TIP3 H2 HT 0.417000 1.0080 0 + 6569 WT0 4455 TIP3 OH2 OT -0.834000 15.9994 0 + 6570 WT0 4455 TIP3 H1 HT 0.417000 1.0080 0 + 6571 WT0 4455 TIP3 H2 HT 0.417000 1.0080 0 + 6572 WT0 4456 TIP3 OH2 OT -0.834000 15.9994 0 + 6573 WT0 4456 TIP3 H1 HT 0.417000 1.0080 0 + 6574 WT0 4456 TIP3 H2 HT 0.417000 1.0080 0 + 6575 WT0 4457 TIP3 OH2 OT -0.834000 15.9994 0 + 6576 WT0 4457 TIP3 H1 HT 0.417000 1.0080 0 + 6577 WT0 4457 TIP3 H2 HT 0.417000 1.0080 0 + 6578 WT0 4459 TIP3 OH2 OT -0.834000 15.9994 0 + 6579 WT0 4459 TIP3 H1 HT 0.417000 1.0080 0 + 6580 WT0 4459 TIP3 H2 HT 0.417000 1.0080 0 + 6581 WT0 4460 TIP3 OH2 OT -0.834000 15.9994 0 + 6582 WT0 4460 TIP3 H1 HT 0.417000 1.0080 0 + 6583 WT0 4460 TIP3 H2 HT 0.417000 1.0080 0 + 6584 WT0 4461 TIP3 OH2 OT -0.834000 15.9994 0 + 6585 WT0 4461 TIP3 H1 HT 0.417000 1.0080 0 + 6586 WT0 4461 TIP3 H2 HT 0.417000 1.0080 0 + 6587 WT0 4462 TIP3 OH2 OT -0.834000 15.9994 0 + 6588 WT0 4462 TIP3 H1 HT 0.417000 1.0080 0 + 6589 WT0 4462 TIP3 H2 HT 0.417000 1.0080 0 + 6590 WT0 4463 TIP3 OH2 OT -0.834000 15.9994 0 + 6591 WT0 4463 TIP3 H1 HT 0.417000 1.0080 0 + 6592 WT0 4463 TIP3 H2 HT 0.417000 1.0080 0 + 6593 WT0 4465 TIP3 OH2 OT -0.834000 15.9994 0 + 6594 WT0 4465 TIP3 H1 HT 0.417000 1.0080 0 + 6595 WT0 4465 TIP3 H2 HT 0.417000 1.0080 0 + 6596 WT0 4466 TIP3 OH2 OT -0.834000 15.9994 0 + 6597 WT0 4466 TIP3 H1 HT 0.417000 1.0080 0 + 6598 WT0 4466 TIP3 H2 HT 0.417000 1.0080 0 + 6599 WT0 4469 TIP3 OH2 OT -0.834000 15.9994 0 + 6600 WT0 4469 TIP3 H1 HT 0.417000 1.0080 0 + 6601 WT0 4469 TIP3 H2 HT 0.417000 1.0080 0 + 6602 WT0 4470 TIP3 OH2 OT -0.834000 15.9994 0 + 6603 WT0 4470 TIP3 H1 HT 0.417000 1.0080 0 + 6604 WT0 4470 TIP3 H2 HT 0.417000 1.0080 0 + 6605 WT0 4473 TIP3 OH2 OT -0.834000 15.9994 0 + 6606 WT0 4473 TIP3 H1 HT 0.417000 1.0080 0 + 6607 WT0 4473 TIP3 H2 HT 0.417000 1.0080 0 + 6608 WT0 4474 TIP3 OH2 OT -0.834000 15.9994 0 + 6609 WT0 4474 TIP3 H1 HT 0.417000 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4505 TIP3 OH2 OT -0.834000 15.9994 0 + 6654 WT0 4505 TIP3 H1 HT 0.417000 1.0080 0 + 6655 WT0 4505 TIP3 H2 HT 0.417000 1.0080 0 + 6656 WT0 4506 TIP3 OH2 OT -0.834000 15.9994 0 + 6657 WT0 4506 TIP3 H1 HT 0.417000 1.0080 0 + 6658 WT0 4506 TIP3 H2 HT 0.417000 1.0080 0 + 6659 WT0 4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 + 6664 WT0 4508 TIP3 H2 HT 0.417000 1.0080 0 + 6665 WT0 4509 TIP3 OH2 OT -0.834000 15.9994 0 + 6666 WT0 4509 TIP3 H1 HT 0.417000 1.0080 0 + 6667 WT0 4509 TIP3 H2 HT 0.417000 1.0080 0 + 6668 WT0 4513 TIP3 OH2 OT -0.834000 15.9994 0 + 6669 WT0 4513 TIP3 H1 HT 0.417000 1.0080 0 + 6670 WT0 4513 TIP3 H2 HT 0.417000 1.0080 0 + 6671 WT0 4515 TIP3 OH2 OT -0.834000 15.9994 0 + 6672 WT0 4515 TIP3 H1 HT 0.417000 1.0080 0 + 6673 WT0 4515 TIP3 H2 HT 0.417000 1.0080 0 + 6674 WT0 4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 0 + 6681 WT0 4518 TIP3 H1 HT 0.417000 1.0080 0 + 6682 WT0 4518 TIP3 H2 HT 0.417000 1.0080 0 + 6683 WT0 4519 TIP3 OH2 OT -0.834000 15.9994 0 + 6684 WT0 4519 TIP3 H1 HT 0.417000 1.0080 0 + 6685 WT0 4519 TIP3 H2 HT 0.417000 1.0080 0 + 6686 WT0 4520 TIP3 OH2 OT -0.834000 15.9994 0 + 6687 WT0 4520 TIP3 H1 HT 0.417000 1.0080 0 + 6688 WT0 4520 TIP3 H2 HT 0.417000 1.0080 0 + 6689 WT0 4522 TIP3 OH2 OT -0.834000 15.9994 0 + 6690 WT0 4522 TIP3 H1 HT 0.417000 1.0080 0 + 6691 WT0 4522 TIP3 H2 HT 0.417000 1.0080 0 + 6692 WT0 4523 TIP3 OH2 OT -0.834000 15.9994 0 + 6693 WT0 4523 TIP3 H1 HT 0.417000 1.0080 0 + 6694 WT0 4523 TIP3 H2 HT 0.417000 1.0080 0 + 6695 WT0 4525 TIP3 OH2 OT -0.834000 15.9994 0 + 6696 WT0 4525 TIP3 H1 HT 0.417000 1.0080 0 + 6697 WT0 4525 TIP3 H2 HT 0.417000 1.0080 0 + 6698 WT0 4526 TIP3 OH2 OT -0.834000 15.9994 0 + 6699 WT0 4526 TIP3 H1 HT 0.417000 1.0080 0 + 6700 WT0 4526 TIP3 H2 HT 0.417000 1.0080 0 + 6701 WT0 4527 TIP3 OH2 OT -0.834000 15.9994 0 + 6702 WT0 4527 TIP3 H1 HT 0.417000 1.0080 0 + 6703 WT0 4527 TIP3 H2 HT 0.417000 1.0080 0 + 6704 WT0 4528 TIP3 OH2 OT -0.834000 15.9994 0 + 6705 WT0 4528 TIP3 H1 HT 0.417000 1.0080 0 + 6706 WT0 4528 TIP3 H2 HT 0.417000 1.0080 0 + 6707 WT0 4529 TIP3 OH2 OT -0.834000 15.9994 0 + 6708 WT0 4529 TIP3 H1 HT 0.417000 1.0080 0 + 6709 WT0 4529 TIP3 H2 HT 0.417000 1.0080 0 + 6710 WT0 4531 TIP3 OH2 OT -0.834000 15.9994 0 + 6711 WT0 4531 TIP3 H1 HT 0.417000 1.0080 0 + 6712 WT0 4531 TIP3 H2 HT 0.417000 1.0080 0 + 6713 WT0 4532 TIP3 OH2 OT -0.834000 15.9994 0 + 6714 WT0 4532 TIP3 H1 HT 0.417000 1.0080 0 + 6715 WT0 4532 TIP3 H2 HT 0.417000 1.0080 0 + 6716 WT0 4536 TIP3 OH2 OT -0.834000 15.9994 0 + 6717 WT0 4536 TIP3 H1 HT 0.417000 1.0080 0 + 6718 WT0 4536 TIP3 H2 HT 0.417000 1.0080 0 + 6719 WT0 4537 TIP3 OH2 OT -0.834000 15.9994 0 + 6720 WT0 4537 TIP3 H1 HT 0.417000 1.0080 0 + 6721 WT0 4537 TIP3 H2 HT 0.417000 1.0080 0 + 6722 WT0 4538 TIP3 OH2 OT -0.834000 15.9994 0 + 6723 WT0 4538 TIP3 H1 HT 0.417000 1.0080 0 + 6724 WT0 4538 TIP3 H2 HT 0.417000 1.0080 0 + 6725 WT0 4540 TIP3 OH2 OT -0.834000 15.9994 0 + 6726 WT0 4540 TIP3 H1 HT 0.417000 1.0080 0 + 6727 WT0 4540 TIP3 H2 HT 0.417000 1.0080 0 + 6728 WT0 4541 TIP3 OH2 OT -0.834000 15.9994 0 + 6729 WT0 4541 TIP3 H1 HT 0.417000 1.0080 0 + 6730 WT0 4541 TIP3 H2 HT 0.417000 1.0080 0 + 6731 WT0 4543 TIP3 OH2 OT -0.834000 15.9994 0 + 6732 WT0 4543 TIP3 H1 HT 0.417000 1.0080 0 + 6733 WT0 4543 TIP3 H2 HT 0.417000 1.0080 0 + 6734 WT0 4544 TIP3 OH2 OT -0.834000 15.9994 0 + 6735 WT0 4544 TIP3 H1 HT 0.417000 1.0080 0 + 6736 WT0 4544 TIP3 H2 HT 0.417000 1.0080 0 + 6737 WT0 4545 TIP3 OH2 OT -0.834000 15.9994 0 + 6738 WT0 4545 TIP3 H1 HT 0.417000 1.0080 0 + 6739 WT0 4545 TIP3 H2 HT 0.417000 1.0080 0 + 6740 WT0 4546 TIP3 OH2 OT -0.834000 15.9994 0 + 6741 WT0 4546 TIP3 H1 HT 0.417000 1.0080 0 + 6742 WT0 4546 TIP3 H2 HT 0.417000 1.0080 0 + 6743 WT0 4547 TIP3 OH2 OT -0.834000 15.9994 0 + 6744 WT0 4547 TIP3 H1 HT 0.417000 1.0080 0 + 6745 WT0 4547 TIP3 H2 HT 0.417000 1.0080 0 + 6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 + 6754 WT0 4550 TIP3 H2 HT 0.417000 1.0080 0 + 6755 WT0 4551 TIP3 OH2 OT -0.834000 15.9994 0 + 6756 WT0 4551 TIP3 H1 HT 0.417000 1.0080 0 + 6757 WT0 4551 TIP3 H2 HT 0.417000 1.0080 0 + 6758 WT0 4553 TIP3 OH2 OT -0.834000 15.9994 0 + 6759 WT0 4553 TIP3 H1 HT 0.417000 1.0080 0 + 6760 WT0 4553 TIP3 H2 HT 0.417000 1.0080 0 + 6761 WT0 4558 TIP3 OH2 OT 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4568 TIP3 H1 HT 0.417000 1.0080 0 + 6784 WT0 4568 TIP3 H2 HT 0.417000 1.0080 0 + 6785 WT0 4569 TIP3 OH2 OT -0.834000 15.9994 0 + 6786 WT0 4569 TIP3 H1 HT 0.417000 1.0080 0 + 6787 WT0 4569 TIP3 H2 HT 0.417000 1.0080 0 + 6788 WT0 4570 TIP3 OH2 OT -0.834000 15.9994 0 + 6789 WT0 4570 TIP3 H1 HT 0.417000 1.0080 0 + 6790 WT0 4570 TIP3 H2 HT 0.417000 1.0080 0 + 6791 WT0 4571 TIP3 OH2 OT -0.834000 15.9994 0 + 6792 WT0 4571 TIP3 H1 HT 0.417000 1.0080 0 + 6793 WT0 4571 TIP3 H2 HT 0.417000 1.0080 0 + 6794 WT0 4572 TIP3 OH2 OT -0.834000 15.9994 0 + 6795 WT0 4572 TIP3 H1 HT 0.417000 1.0080 0 + 6796 WT0 4572 TIP3 H2 HT 0.417000 1.0080 0 + 6797 WT0 4573 TIP3 OH2 OT -0.834000 15.9994 0 + 6798 WT0 4573 TIP3 H1 HT 0.417000 1.0080 0 + 6799 WT0 4573 TIP3 H2 HT 0.417000 1.0080 0 + 6800 WT0 4574 TIP3 OH2 OT -0.834000 15.9994 0 + 6801 WT0 4574 TIP3 H1 HT 0.417000 1.0080 0 + 6802 WT0 4574 TIP3 H2 HT 0.417000 1.0080 0 + 6803 WT0 4578 TIP3 OH2 OT -0.834000 15.9994 0 + 6804 WT0 4578 TIP3 H1 HT 0.417000 1.0080 0 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6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT 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5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT 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6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 1.0080 0 + 8872 WT0 6230 TIP3 H2 HT 0.417000 1.0080 0 + 8873 WT0 6231 TIP3 OH2 OT -0.834000 15.9994 0 + 8874 WT0 6231 TIP3 H1 HT 0.417000 1.0080 0 + 8875 WT0 6231 TIP3 H2 HT 0.417000 1.0080 0 + 8876 WT0 6233 TIP3 OH2 OT -0.834000 15.9994 0 + 8877 WT0 6233 TIP3 H1 HT 0.417000 1.0080 0 + 8878 WT0 6233 TIP3 H2 HT 0.417000 1.0080 0 + 8879 WT0 6238 TIP3 OH2 OT -0.834000 15.9994 0 + 8880 WT0 6238 TIP3 H1 HT 0.417000 1.0080 0 + 8881 WT0 6238 TIP3 H2 HT 0.417000 1.0080 0 + 8882 WT0 6240 TIP3 OH2 OT -0.834000 15.9994 0 + 8883 WT0 6240 TIP3 H1 HT 0.417000 1.0080 0 + 8884 WT0 6240 TIP3 H2 HT 0.417000 1.0080 0 + 8885 WT0 6241 TIP3 OH2 OT -0.834000 15.9994 0 + 8886 WT0 6241 TIP3 H1 HT 0.417000 1.0080 0 + 8887 WT0 6241 TIP3 H2 HT 0.417000 1.0080 0 + 8888 WT0 6242 TIP3 OH2 OT -0.834000 15.9994 0 + 8889 WT0 6242 TIP3 H1 HT 0.417000 1.0080 0 + 8890 WT0 6242 TIP3 H2 HT 0.417000 1.0080 0 + 8891 WT0 6243 TIP3 OH2 OT -0.834000 15.9994 0 + 8892 WT0 6243 TIP3 H1 HT 0.417000 1.0080 0 + 8893 WT0 6243 TIP3 H2 HT 0.417000 1.0080 0 + 8894 WT0 6245 TIP3 OH2 OT -0.834000 15.9994 0 + 8895 WT0 6245 TIP3 H1 HT 0.417000 1.0080 0 + 8896 WT0 6245 TIP3 H2 HT 0.417000 1.0080 0 + 8897 WT0 6246 TIP3 OH2 OT -0.834000 15.9994 0 + 8898 WT0 6246 TIP3 H1 HT 0.417000 1.0080 0 + 8899 WT0 6246 TIP3 H2 HT 0.417000 1.0080 0 + 8900 WT0 6247 TIP3 OH2 OT -0.834000 15.9994 0 + 8901 WT0 6247 TIP3 H1 HT 0.417000 1.0080 0 + 8902 WT0 6247 TIP3 H2 HT 0.417000 1.0080 0 + 8903 WT0 6249 TIP3 OH2 OT -0.834000 15.9994 0 + 8904 WT0 6249 TIP3 H1 HT 0.417000 1.0080 0 + 8905 WT0 6249 TIP3 H2 HT 0.417000 1.0080 0 + 8906 WT0 6250 TIP3 OH2 OT -0.834000 15.9994 0 + 8907 WT0 6250 TIP3 H1 HT 0.417000 1.0080 0 + 8908 WT0 6250 TIP3 H2 HT 0.417000 1.0080 0 + 8909 WT0 6252 TIP3 OH2 OT -0.834000 15.9994 0 + 8910 WT0 6252 TIP3 H1 HT 0.417000 1.0080 0 + 8911 WT0 6252 TIP3 H2 HT 0.417000 1.0080 0 + 8912 WT0 6253 TIP3 OH2 OT -0.834000 15.9994 0 + 8913 WT0 6253 TIP3 H1 HT 0.417000 1.0080 0 + 8914 WT0 6253 TIP3 H2 HT 0.417000 1.0080 0 + 8915 WT0 6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT -0.834000 15.9994 0 + 8988 WT0 6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT -0.834000 15.9994 0 + 9024 WT0 6315 TIP3 H1 HT 0.417000 1.0080 0 + 9025 WT0 6315 TIP3 H2 HT 0.417000 1.0080 0 + 9026 WT0 6316 TIP3 OH2 OT -0.834000 15.9994 0 + 9027 WT0 6316 TIP3 H1 HT 0.417000 1.0080 0 + 9028 WT0 6316 TIP3 H2 HT 0.417000 1.0080 0 + 9029 WT0 6318 TIP3 OH2 OT -0.834000 15.9994 0 + 9030 WT0 6318 TIP3 H1 HT 0.417000 1.0080 0 + 9031 WT0 6318 TIP3 H2 HT 0.417000 1.0080 0 + 9032 WT0 6319 TIP3 OH2 OT -0.834000 15.9994 0 + 9033 WT0 6319 TIP3 H1 HT 0.417000 1.0080 0 + 9034 WT0 6319 TIP3 H2 HT 0.417000 1.0080 0 + 9035 WT0 6323 TIP3 OH2 OT -0.834000 15.9994 0 + 9036 WT0 6323 TIP3 H1 HT 0.417000 1.0080 0 + 9037 WT0 6323 TIP3 H2 HT 0.417000 1.0080 0 + 9038 WT0 6324 TIP3 OH2 OT -0.834000 15.9994 0 + 9039 WT0 6324 TIP3 H1 HT 0.417000 1.0080 0 + 9040 WT0 6324 TIP3 H2 HT 0.417000 1.0080 0 + 9041 WT0 6326 TIP3 OH2 OT -0.834000 15.9994 0 + 9042 WT0 6326 TIP3 H1 HT 0.417000 1.0080 0 + 9043 WT0 6326 TIP3 H2 HT 0.417000 1.0080 0 + 9044 WT0 6327 TIP3 OH2 OT -0.834000 15.9994 0 + 9045 WT0 6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 + 9082 WT0 6348 TIP3 H2 HT 0.417000 1.0080 0 + 9083 WT0 6351 TIP3 OH2 OT -0.834000 15.9994 0 + 9084 WT0 6351 TIP3 H1 HT 0.417000 1.0080 0 + 9085 WT0 6351 TIP3 H2 HT 0.417000 1.0080 0 + 9086 WT0 6355 TIP3 OH2 OT -0.834000 15.9994 0 + 9087 WT0 6355 TIP3 H1 HT 0.417000 1.0080 0 + 9088 WT0 6355 TIP3 H2 HT 0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT -0.834000 15.9994 0 + 9159 WT0 6404 TIP3 H1 HT 0.417000 1.0080 0 + 9160 WT0 6404 TIP3 H2 HT 0.417000 1.0080 0 + 9161 WT0 6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT 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6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 1.0080 0 + 11105 WT0 8940 TIP3 OH2 OT -0.834000 15.9994 0 + 11106 WT0 8940 TIP3 H1 HT 0.417000 1.0080 0 + 11107 WT0 8940 TIP3 H2 HT 0.417000 1.0080 0 + 11108 WT0 8949 TIP3 OH2 OT -0.834000 15.9994 0 + 11109 WT0 8949 TIP3 H1 HT 0.417000 1.0080 0 + 11110 WT0 8949 TIP3 H2 HT 0.417000 1.0080 0 + 11111 WT0 8950 TIP3 OH2 OT -0.834000 15.9994 0 + 11112 WT0 8950 TIP3 H1 HT 0.417000 1.0080 0 + 11113 WT0 8950 TIP3 H2 HT 0.417000 1.0080 0 + 11114 WT0 8952 TIP3 OH2 OT -0.834000 15.9994 0 + 11115 WT0 8952 TIP3 H1 HT 0.417000 1.0080 0 + 11116 WT0 8952 TIP3 H2 HT 0.417000 1.0080 0 + 11117 WT0 8954 TIP3 OH2 OT -0.834000 15.9994 0 + 11118 WT0 8954 TIP3 H1 HT 0.417000 1.0080 0 + 11119 WT0 8954 TIP3 H2 HT 0.417000 1.0080 0 + 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b/adaptivemd/input/e2s2_e1s2p0f3/input.coor new file mode 100644 index 0000000..e8e3d34 Binary files /dev/null and b/adaptivemd/input/e2s2_e1s2p0f3/input.coor differ diff --git a/adaptivemd/input/e2s2_e1s2p0f3/input.xsc b/adaptivemd/input/e2s2_e1s2p0f3/input.xsc new file mode 100644 index 0000000..97354ed --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/input.xsc @@ -0,0 +1,3 @@ +# NAMD extended system configuration restart file generated by MoleculeKit +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z +100000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 \ No newline at end of file diff --git a/adaptivemd/input/e2s2_e1s2p0f3/job.sh b/adaptivemd/input/e2s2_e1s2p0f3/job.sh new file mode 100755 index 0000000..01c7c32 --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/job.sh @@ -0,0 +1,10 @@ +#!/bin/bash + + +trap "touch /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e2s2_e1s2p0f3/jobqueues.done" EXIT SIGTERM + +export CUDA_VISIBLE_DEVICES=0 + +cd /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e2s2_e1s2p0f3 +/home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e2s2_e1s2p0f3/run.sh +mv *.xtc /home/sdoerr/Work/htmd/tutorials/adaptivemd/data/e2s2_e1s2p0f3 \ No newline at end of file diff --git a/adaptivemd/input/e2s2_e1s2p0f3/jobqueues.done b/adaptivemd/input/e2s2_e1s2p0f3/jobqueues.done new file mode 100644 index 0000000..e69de29 diff --git a/adaptivemd/input/e2s2_e1s2p0f3/log.txt b/adaptivemd/input/e2s2_e1s2p0f3/log.txt new file mode 100644 index 0000000..7ebbb40 --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/log.txt @@ -0,0 +1,230 @@ +WARNING: "acemd3" is depricated and will be removed in a future release! Use "acemd" instead +# +# ACEMD version 3.7.2 +# +# Copyright (C) 2017-2023 Acellera (www.acellera.com) +# +# By using ACEMD, you accept the terms and conditions of the ACEMD licence +# Check the licence by running "acemd --licence" +# More details: https://software.acellera.com/acemd/licence.html +# +# When publishing, please cite: +# ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale +# M. J. Harvey, G. Giupponi and G. De Fabritiis, +# J Chem. Theory. Comput. 2009 5(6), pp1632-1639 +# DOI: 10.1021/ct9000685 +# +# Arguments: +# input: input +# platform: +# device: +# ncpus: +# precision: mixed +# +# Licence: +# Product: ACEMD 3.0 +# Check floating licence: +# ACELLERA_LICENCE_SERVER -- not defined +# ACELLERA_LICENSE_SERVER -- not defined +# Check node-locked licence: +# ACELLERA_LICENCE_FILE -- not defined +# ACELLERA_LICENSE_FILE -- not defined +# /opt/acellera/licence.dat -- DENIED (Unable to locate target file) +# /opt/acellera/license.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/licence.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/license.dat -- DENIED (Unable to locate target file) +# +# WARNING: This ACEMD version expires in 27 days! +# +# Initialize Python +# Version: 3.10.13 +# Internal modules: /home/sdoerr/miniforge3/envs/htmd/lib/acemd/python +# +# Parse input +# File name: input +# Format: old +# WARNING: Deprecated keyword "thermostattemp" is replaced with "thermostattemperature" +# WARNING: Deprecated keyword "switchdist" is replaced with "switchdistance" +# +# Parse force field and topology files +# Force field: CHARMM +# PRM file: parameters +# PSF file: structure.psf +# WARNING: No NBFIX parameters exist for atom type ocl! +# WARNING: No NBFIX parameters exist for atom type obl! +# WARNING: No NBFIX parameters exist for atom type o2l! +# WARNING: No NBFIX parameters exist for atom type oc2d2! +# WARNING: No NBFIX parameters exist for atom type oc2dp! +# WARNING: No NBFIX parameters exist for atom type og2d2! +# WARNING: No NBFIX parameters exist for atom type og2p1! +# +# Force field parameters +# Number of atom parameters: 107 +# Number of bond parameters: 154 +# Number of angle parameters: 378 +# Number of dihedral parameters: 505 +# Number of improper parameters: 49 +# Number of CMAP parameters: 6 +# +# System topology +# Number of atoms: 11340 +# Number of bonds: 7762 +# Number of angles: 4719 +# Number of dihedrals: 1657 +# Number of impropers: 100 +# Number of CMAPs: 5 +# +# Initializing engine +# Version: 7.7 +# Plugin directory: /home/sdoerr/miniforge3/envs/htmd/lib/acemd +# Loaded plugins +# CPU +# PME +# CUDA +# CudaCompiler +# OpenCL +# PlumedCUDA +# PlumedOpenCL +# PlumedReference +# Available platforms +# CPU +# CUDA +# OpenCL +# +# Bonded interactions +# Harmonic bond interactions +# Number of terms: 7762 +# Harmonic angle interactions +# Number of terms: 4719 +# Urey-Bradley interactions +# Number of terms: 593 +# Number of skipped terms (zero force constant): 4126 +# Proper dihedral interations +# Number of terms: 1760 +# Number of skipped terms (zero force constants): 366 +# Improper dihedral interations +# Number of terms: 100 +# CMAP interactions +# Number of terms: 5 +# +# Non-bonded interactions +# Number of exclusions: 14126 +# Lennard-Jones terms +# Cutoff distance: 9.000 A +# Switching distance: 7.500 A +# Coulombic (PME) term +# Ewald tolerance: 0.000500 +# Using NBFIX +# No implicit solvent +# +# Constraining hydrogen (X-H) bonds +# Number of constrained bonds: 7454 +# Making water molecules rigid +# Number of water molecules: 3564 +# Number of constraints: 11018 +# +# Repartitioning hydrogen atom mass +# New hydrogen mass: 4.032 au +# Number of hydrogen atoms: 7454 +# +# Reading box sizes from input.xsc +# +# Creating simulation system +# Number of particles: 11340 +# Number of degrees of freedom 22999 +# Periodic box size: 50.489 50.491 50.416 A +# +# Integrator +# Type: velocity Verlet +# Step size: 4.00 fs +# Constraint tolerance: 1.0e-06 +# +# Thermostat +# Type: Langevin +# Target temperature: 350.00 K +# Friction coefficient: 0.10 ps^-1 +# +# Setting up platform: CUDA +# Interactions: 1 2 3 4 5 6 7 7 12 +# Platform properties: +# DeviceIndex: 0 +# DeviceName: NVIDIA GeForce RTX 4050 Laptop GPU +# UseBlockingSync: false +# Precision: mixed +# UseCpuPme: false +# CudaCompiler: /usr/local/cuda/bin/nvcc +# TempDirectory: /tmp +# CudaHostCompiler: +# DisablePmeStream: false +# DeterministicForces: false +# +# Set initial positions from an input file +# +# Simulation restart +# Restat file: restart.chk +# WARNING: the restart file does not exist! +# WARNING: Unable to restart! Continuing with the initial positions, velocities, simulation box size +# +# Initial velocities +# Distribution: Maxwell-Boltzmann +# Temperature: 350.00 K +# +# Optimize platform for MD +# Number of constraints: 11018 +# Harmonic bond interations +# Initial number of terms: 7762 +# Optimized number of terms: 308 +# Remaining interactions: 2 3 4 5 6 7 7 12 1 +# +# Running simulation +# Current step: 0 +# Number of steps: 250000 +# +# Trajectory output +# Positions: output.xtc +# Period: 25000 +# Wrapping: off +# +# Log, trajectory, and restart files are written every 100.000 ps (25000 steps) +# Step Time Bond Angle Urey-Bradley Dihedral Improper CMAP Non-bonded Implicit External Potential Kinetic Total Temperature Volume +# [ps] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [K] [A^3] + 25000 100.00 133.8941 358.1361 47.1143 59.4738 23.9965 -20.6418 -34399.4316 0.0000 0.0000 -33797.4585 8051.6732 -25745.7853 352.345 128522.41 +# Speed: average 636.66 ns/day, current 636.66 ns/day +# Progress: 10.0, remaining time: 0:02:02, ETA: Tue Jun 11 16:44:21 2024 + 50000 200.00 125.7356 344.9310 46.4837 60.7270 30.9728 -26.3695 -34244.3117 0.0000 0.0000 -33661.8312 8007.7954 -25654.0358 350.424 128522.41 +# Speed: average 636.16 ns/day, current 635.66 ns/day +# Progress: 20.0, remaining time: 0:01:48, ETA: Tue Jun 11 16:44:21 2024 + 75000 300.00 134.9644 336.2450 48.8734 68.7775 18.8040 -26.9289 -34270.3999 0.0000 0.0000 -33689.6645 7931.1890 -25758.4755 347.072 128522.41 +# Speed: average 636.06 ns/day, current 635.86 ns/day +# Progress: 30.0, remaining time: 0:01:35, ETA: Tue Jun 11 16:44:21 2024 + 100000 400.00 153.7240 353.0806 50.4372 63.2970 19.5779 -25.5688 -34324.6284 0.0000 0.0000 -33710.0806 7877.9211 -25832.1595 344.741 128522.41 +# Speed: average 635.70 ns/day, current 634.64 ns/day +# Progress: 40.0, remaining time: 0:01:21, ETA: Tue Jun 11 16:44:21 2024 + 125000 500.00 133.9113 349.9071 47.8437 68.9295 23.8435 -26.5289 -34306.3944 0.0000 0.0000 -33708.4882 7913.4379 -25795.0504 346.295 128522.41 +# Speed: average 634.54 ns/day, current 629.94 ns/day +# Progress: 50.0, remaining time: 0:01:08, ETA: Tue Jun 11 16:44:21 2024 + 150000 600.00 136.0362 342.7639 43.7755 55.8823 23.4764 -16.1236 -34308.2979 0.0000 0.0000 -33722.4873 7947.7688 -25774.7184 347.798 128522.41 +# Speed: average 634.78 ns/day, current 635.99 ns/day +# Progress: 60.0, remaining time: 0:00:54, ETA: Tue Jun 11 16:44:21 2024 + 175000 700.00 139.8611 336.4636 49.1047 63.2802 17.5463 -16.0097 -34306.7355 0.0000 0.0000 -33716.4894 7894.5221 -25821.9673 345.468 128522.41 +# Speed: average 634.78 ns/day, current 634.77 ns/day +# Progress: 70.0, remaining time: 0:00:40, ETA: Tue Jun 11 16:44:21 2024 + 200000 800.00 130.8890 334.2377 48.1690 73.2664 33.4154 -23.3146 -34346.7469 0.0000 0.0000 -33750.0839 8147.7102 -25602.3737 356.547 128522.41 +# Speed: average 634.81 ns/day, current 634.99 ns/day +# Progress: 80.0, remaining time: 0:00:27, ETA: Tue Jun 11 16:44:21 2024 + 225000 900.00 146.4520 311.2268 41.6935 62.8435 23.3497 -22.0611 -34335.0503 0.0000 0.0000 -33771.5458 7957.6053 -25813.9405 348.228 128522.41 +# Speed: average 635.06 ns/day, current 637.14 ns/day +# Progress: 90.0, remaining time: 0:00:13, ETA: Tue Jun 11 16:44:21 2024 + 250000 1000.00 132.5785 326.4780 50.5679 73.8487 26.4155 -25.0048 -34216.3209 0.0000 0.0000 -33631.4370 7953.9017 -25677.5353 348.066 128522.41 +# Speed: average 635.14 ns/day, current 635.85 ns/day +# Progress: 100.0, remaining time: 0:00:00, ETA: Tue Jun 11 16:44:21 2024 +# Writing final coordinates to "output.coor" +# Writing final velocities to "output.vel" +# Writing final simulation box to "output.xsc" +# +# Simulation completed! +# +# WARNING: ACEMD was simulating with a non-commercial licence! +# For commercial use, a commercial licence is required. +# More details: https://software.acellera.com/acemd +# diff --git a/adaptivemd/input/e2s2_e1s2p0f3/output.coor b/adaptivemd/input/e2s2_e1s2p0f3/output.coor new file mode 100644 index 0000000..9d1fe37 Binary files /dev/null and b/adaptivemd/input/e2s2_e1s2p0f3/output.coor differ diff --git a/adaptivemd/input/e2s2_e1s2p0f3/output.vel b/adaptivemd/input/e2s2_e1s2p0f3/output.vel new file mode 100644 index 0000000..d6d5198 Binary files /dev/null and b/adaptivemd/input/e2s2_e1s2p0f3/output.vel differ diff --git a/adaptivemd/input/e2s2_e1s2p0f3/output.xsc b/adaptivemd/input/e2s2_e1s2p0f3/output.xsc new file mode 100644 index 0000000..aff6362 --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/output.xsc @@ -0,0 +1,2 @@ +# XSC File generated by ACEMD +250000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 diff --git a/adaptivemd/input/e2s2_e1s2p0f3/parameters b/adaptivemd/input/e2s2_e1s2p0f3/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/input/e2s2_e1s2p0f3/restart.chk b/adaptivemd/input/e2s2_e1s2p0f3/restart.chk new file mode 100644 index 0000000..7a60493 Binary files /dev/null and b/adaptivemd/input/e2s2_e1s2p0f3/restart.chk differ diff --git a/adaptivemd/input/e2s2_e1s2p0f3/restart.chk.bkp b/adaptivemd/input/e2s2_e1s2p0f3/restart.chk.bkp new file mode 100644 index 0000000..a1e159f Binary files /dev/null and b/adaptivemd/input/e2s2_e1s2p0f3/restart.chk.bkp differ diff --git a/adaptivemd/input/e2s2_e1s2p0f3/run.sh b/adaptivemd/input/e2s2_e1s2p0f3/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/input/e2s2_e1s2p0f3/structure.pdb b/adaptivemd/input/e2s2_e1s2p0f3/structure.pdb new file mode 100644 index 0000000..ab55b80 --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 -4.106 -4.096 -14.157 0.00 0.00 P C +ATOM 2 HY1 MET 1 -4.416 -3.186 -14.717 0.00 0.00 P H +ATOM 3 HY2 MET 1 -3.726 -3.586 -13.247 0.00 0.00 P H +ATOM 4 HY3 MET 1 -5.016 -4.716 -14.037 0.00 0.00 P H +ATOM 5 CY MET 1 -3.086 -4.926 -14.917 0.00 0.00 P C +ATOM 6 OY MET 1 -3.296 -6.146 -15.137 0.00 0.00 P O +ATOM 7 N MET 1 -1.916 -4.296 -15.117 0.00 0.00 P N +ATOM 8 HN MET 1 -1.866 -3.376 -14.737 0.00 0.00 P H +ATOM 9 CA MET 1 -0.746 -4.556 -15.857 0.00 0.00 P C +ATOM 10 HA MET 1 -0.926 -4.556 -16.917 0.00 0.00 P H +ATOM 11 CB MET 1 0.444 -3.546 -15.687 0.00 0.00 P C +ATOM 12 HB1 MET 1 0.394 -3.416 -14.587 0.00 0.00 P H +ATOM 13 HB2 MET 1 1.324 -4.096 -16.077 0.00 0.00 P H +ATOM 14 CG MET 1 0.244 -2.296 -16.447 0.00 0.00 P C +ATOM 15 HG1 MET 1 -0.196 -2.466 -17.457 0.00 0.00 P H +ATOM 16 HG2 MET 1 -0.406 -1.456 -16.117 0.00 0.00 P H +ATOM 17 SD MET 1 1.864 -1.506 -16.727 0.00 0.00 P S +ATOM 18 CE MET 1 2.524 -1.206 -15.017 0.00 0.00 P C +ATOM 19 HE1 MET 1 3.594 -0.976 -15.187 0.00 0.00 P H +ATOM 20 HE2 MET 1 2.084 -0.366 -14.447 0.00 0.00 P H +ATOM 21 HE3 MET 1 2.344 -2.076 -14.347 0.00 0.00 P H +ATOM 22 C MET 1 -0.156 -6.056 -15.527 0.00 0.00 P C +ATOM 23 O MET 1 0.474 -6.416 -14.537 0.00 0.00 P O +ATOM 24 N LYS 2 -0.296 -6.936 -16.567 0.00 0.00 P N +ATOM 25 HN LYS 2 -0.866 -6.876 -17.387 0.00 0.00 P H +ATOM 26 CA LYS 2 0.164 -8.266 -16.537 0.00 0.00 P C +ATOM 27 HA LYS 2 -0.326 -8.576 -15.617 0.00 0.00 P H +ATOM 28 CB LYS 2 -0.306 -8.926 -17.847 0.00 0.00 P C +ATOM 29 HB1 LYS 2 -1.416 -8.976 -17.787 0.00 0.00 P H +ATOM 30 HB2 LYS 2 -0.076 -8.116 -18.577 0.00 0.00 P H +ATOM 31 CG LYS 2 0.394 -10.126 -18.277 0.00 0.00 P C +ATOM 32 HG1 LYS 2 1.414 -9.906 -18.647 0.00 0.00 P H +ATOM 33 HG2 LYS 2 0.504 -10.946 -17.537 0.00 0.00 P H +ATOM 34 CD LYS 2 -0.336 -10.746 -19.567 0.00 0.00 P C +ATOM 35 HD1 LYS 2 -1.396 -11.056 -19.497 0.00 0.00 P H +ATOM 36 HD2 LYS 2 -0.296 -9.966 -20.357 0.00 0.00 P H +ATOM 37 CE LYS 2 0.394 -12.076 -19.967 0.00 0.00 P C +ATOM 38 HE1 LYS 2 1.494 -12.076 -19.827 0.00 0.00 P H +ATOM 39 HE2 LYS 2 0.064 -12.976 -19.407 0.00 0.00 P H +ATOM 40 NZ LYS 2 0.174 -12.446 -21.437 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 -0.616 -13.106 -21.577 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 -0.006 -11.596 -22.017 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 1.054 -12.846 -21.817 0.00 0.00 P H +ATOM 44 C LYS 2 1.614 -8.656 -16.347 0.00 0.00 P C +ATOM 45 O LYS 2 2.104 -9.486 -15.557 0.00 0.00 P O +ATOM 46 N VAL 3 2.504 -7.896 -17.037 0.00 0.00 P N +ATOM 47 HN VAL 3 2.164 -7.136 -17.577 0.00 0.00 P H +ATOM 48 CA VAL 3 3.954 -7.796 -16.867 0.00 0.00 P C +ATOM 49 HA VAL 3 4.274 -8.576 -16.197 0.00 0.00 P H +ATOM 50 CB VAL 3 4.734 -7.806 -18.287 0.00 0.00 P C +ATOM 51 HB VAL 3 3.954 -7.316 -18.917 0.00 0.00 P H +ATOM 52 CG1 VAL 3 6.024 -7.046 -18.337 0.00 0.00 P C +ATOM 53 HG11 VAL 3 6.704 -7.486 -19.107 0.00 0.00 P H +ATOM 54 HG12 VAL 3 6.014 -5.976 -18.607 0.00 0.00 P H +ATOM 55 HG13 VAL 3 6.704 -7.216 -17.477 0.00 0.00 P H +ATOM 56 CG2 VAL 3 4.774 -9.136 -18.767 0.00 0.00 P C +ATOM 57 HG21 VAL 3 5.364 -9.176 -19.707 0.00 0.00 P H +ATOM 58 HG22 VAL 3 5.114 -9.826 -17.967 0.00 0.00 P H +ATOM 59 HG23 VAL 3 3.714 -9.456 -18.887 0.00 0.00 P H +ATOM 60 C VAL 3 4.384 -6.506 -16.117 0.00 0.00 P C +ATOM 61 O VAL 3 3.934 -5.396 -16.397 0.00 0.00 P O +ATOM 62 N ILE 4 5.044 -6.646 -14.957 0.00 0.00 P N +ATOM 63 HN ILE 4 5.154 -7.586 -14.647 0.00 0.00 P H +ATOM 64 CA ILE 4 5.414 -5.516 -14.117 0.00 0.00 P C +ATOM 65 HA ILE 4 4.814 -4.626 -14.247 0.00 0.00 P H +ATOM 66 CB ILE 4 5.404 -5.986 -12.737 0.00 0.00 P C +ATOM 67 HB ILE 4 4.414 -6.436 -12.527 0.00 0.00 P H +ATOM 68 CG2 ILE 4 6.324 -7.326 -12.347 0.00 0.00 P C +ATOM 69 HG21 ILE 4 6.264 -8.076 -13.157 0.00 0.00 P H +ATOM 70 HG22 ILE 4 7.364 -6.976 -12.187 0.00 0.00 P H +ATOM 71 HG23 ILE 4 6.034 -7.786 -11.377 0.00 0.00 P H +ATOM 72 CG1 ILE 4 5.374 -4.696 -11.817 0.00 0.00 P C +ATOM 73 HG11 ILE 4 5.644 -4.946 -10.767 0.00 0.00 P H +ATOM 74 HG12 ILE 4 6.164 -4.016 -12.207 0.00 0.00 P H +ATOM 75 CD ILE 4 4.044 -3.986 -11.737 0.00 0.00 P C +ATOM 76 HD1 ILE 4 3.584 -3.796 -12.727 0.00 0.00 P H +ATOM 77 HD2 ILE 4 3.374 -4.506 -11.017 0.00 0.00 P H +ATOM 78 HD3 ILE 4 4.154 -2.946 -11.357 0.00 0.00 P H +ATOM 79 C ILE 4 6.904 -5.026 -14.627 0.00 0.00 P C +ATOM 80 O ILE 4 7.904 -5.176 -13.927 0.00 0.00 P O +ATOM 81 N PHE 5 6.954 -4.326 -15.797 0.00 0.00 P N +ATOM 82 HN PHE 5 6.084 -3.996 -16.147 0.00 0.00 P H +ATOM 83 CA PHE 5 8.164 -3.836 -16.557 0.00 0.00 P C +ATOM 84 HA PHE 5 8.704 -3.116 -15.967 0.00 0.00 P H +ATOM 85 CB PHE 5 9.214 -4.996 -16.867 0.00 0.00 P C +ATOM 86 HB1 PHE 5 9.924 -5.166 -16.037 0.00 0.00 P H +ATOM 87 HB2 PHE 5 8.694 -5.956 -17.057 0.00 0.00 P H +ATOM 88 CG PHE 5 9.984 -4.876 -18.187 0.00 0.00 P C +ATOM 89 CD1 PHE 5 10.934 -3.806 -18.117 0.00 0.00 P C +ATOM 90 HD1 PHE 5 10.964 -3.176 -17.247 0.00 0.00 P H +ATOM 91 CE1 PHE 5 11.724 -3.426 -19.237 0.00 0.00 P C +ATOM 92 HE1 PHE 5 12.394 -2.576 -19.227 0.00 0.00 P H +ATOM 93 CZ PHE 5 11.474 -4.206 -20.427 0.00 0.00 P C +ATOM 94 HZ PHE 5 12.054 -4.056 -21.327 0.00 0.00 P H +ATOM 95 CD2 PHE 5 9.854 -5.706 -19.377 0.00 0.00 P C +ATOM 96 HD2 PHE 5 9.174 -6.546 -19.367 0.00 0.00 P H +ATOM 97 CE2 PHE 5 10.684 -5.306 -20.447 0.00 0.00 P C +ATOM 98 HE2 PHE 5 10.844 -5.816 -21.377 0.00 0.00 P H +ATOM 99 C PHE 5 7.744 -2.936 -17.707 0.00 0.00 P C +ATOM 100 O PHE 5 6.754 -3.266 -18.407 0.00 0.00 P O +ATOM 101 N LEU 6 8.214 -1.676 -17.717 0.00 0.00 P N +ATOM 102 HN LEU 6 8.734 -1.636 -16.867 0.00 0.00 P H +ATOM 103 CA LEU 6 7.964 -0.626 -18.637 0.00 0.00 P C +ATOM 104 HA LEU 6 7.744 -1.136 -19.567 0.00 0.00 P H +ATOM 105 CB LEU 6 6.624 0.154 -18.187 0.00 0.00 P C +ATOM 106 HB1 LEU 6 6.164 0.794 -18.967 0.00 0.00 P H +ATOM 107 HB2 LEU 6 5.904 -0.656 -17.917 0.00 0.00 P H +ATOM 108 CG LEU 6 6.834 1.094 -16.977 0.00 0.00 P C +ATOM 109 HG LEU 6 7.474 1.884 -17.417 0.00 0.00 P H +ATOM 110 CD1 LEU 6 5.504 1.704 -16.557 0.00 0.00 P C +ATOM 111 HD11 LEU 6 5.644 2.044 -15.517 0.00 0.00 P H +ATOM 112 HD12 LEU 6 5.304 2.614 -17.157 0.00 0.00 P H +ATOM 113 HD13 LEU 6 4.674 0.964 -16.557 0.00 0.00 P H +ATOM 114 CD2 LEU 6 7.594 0.434 -15.747 0.00 0.00 P C +ATOM 115 HD21 LEU 6 7.394 1.114 -14.887 0.00 0.00 P H +ATOM 116 HD22 LEU 6 7.174 -0.586 -15.617 0.00 0.00 P H +ATOM 117 HD23 LEU 6 8.674 0.374 -15.997 0.00 0.00 P H +ATOM 118 C LEU 6 9.034 0.274 -18.887 0.00 0.00 P C +ATOM 119 O LEU 6 10.034 0.324 -18.247 0.00 0.00 P O +ATOM 120 N LYS 7 8.854 0.914 -20.077 0.00 0.00 P N +ATOM 121 HN LYS 7 8.114 0.594 -20.657 0.00 0.00 P H +ATOM 122 CA LYS 7 10.044 1.754 -20.387 0.00 0.00 P C +ATOM 123 HA LYS 7 10.544 2.014 -19.467 0.00 0.00 P H +ATOM 124 CB LYS 7 10.974 1.154 -21.397 0.00 0.00 P C +ATOM 125 HB1 LYS 7 11.654 0.364 -21.027 0.00 0.00 P H +ATOM 126 HB2 LYS 7 10.264 0.664 -22.107 0.00 0.00 P H +ATOM 127 CG LYS 7 11.924 2.134 -22.057 0.00 0.00 P C +ATOM 128 HG1 LYS 7 11.434 2.934 -22.637 0.00 0.00 P H +ATOM 129 HG2 LYS 7 12.614 2.574 -21.297 0.00 0.00 P H +ATOM 130 CD LYS 7 12.804 1.464 -23.197 0.00 0.00 P C +ATOM 131 HD1 LYS 7 13.364 0.524 -22.977 0.00 0.00 P H +ATOM 132 HD2 LYS 7 12.024 1.354 -23.977 0.00 0.00 P H +ATOM 133 CE LYS 7 13.984 2.374 -23.657 0.00 0.00 P C +ATOM 134 HE1 LYS 7 14.704 1.754 -24.237 0.00 0.00 P H +ATOM 135 HE2 LYS 7 13.594 3.244 -24.227 0.00 0.00 P H +ATOM 136 NZ LYS 7 14.664 2.894 -22.417 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 14.834 2.094 -21.767 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 15.594 3.324 -22.627 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 14.274 3.674 -21.857 0.00 0.00 P H +ATOM 140 C LYS 7 9.514 3.234 -20.727 0.00 0.00 P C +ATOM 141 O LYS 7 8.454 3.394 -21.337 0.00 0.00 P O +ATOM 142 N ASP 8 10.254 4.294 -20.287 0.00 0.00 P N +ATOM 143 HN ASP 8 10.994 4.194 -19.627 0.00 0.00 P H +ATOM 144 CA ASP 8 9.984 5.684 -20.547 0.00 0.00 P C +ATOM 145 HA ASP 8 9.554 5.954 -21.497 0.00 0.00 P H +ATOM 146 CB ASP 8 9.064 6.394 -19.567 0.00 0.00 P C +ATOM 147 HB1 ASP 8 8.174 5.744 -19.727 0.00 0.00 P H +ATOM 148 HB2 ASP 8 9.464 6.444 -18.537 0.00 0.00 P H +ATOM 149 CG ASP 8 8.494 7.824 -20.037 0.00 0.00 P C +ATOM 150 OD1 ASP 8 9.114 8.384 -20.917 0.00 0.00 P O +ATOM 151 OD2 ASP 8 7.344 8.254 -19.527 0.00 0.00 P O +ATOM 152 C ASP 8 11.444 6.194 -20.387 0.00 0.00 P C +ATOM 153 O ASP 8 12.294 5.654 -19.687 0.00 0.00 P O +ATOM 154 N VAL 9 11.754 7.424 -20.987 0.00 0.00 P N +ATOM 155 HN VAL 9 11.054 7.654 -21.657 0.00 0.00 P H +ATOM 156 CA VAL 9 13.104 8.094 -20.897 0.00 0.00 P C +ATOM 157 HA VAL 9 13.614 7.374 -20.287 0.00 0.00 P H +ATOM 158 CB VAL 9 13.504 8.334 -22.297 0.00 0.00 P C +ATOM 159 HB VAL 9 12.904 9.224 -22.607 0.00 0.00 P H +ATOM 160 CG1 VAL 9 14.964 8.744 -22.207 0.00 0.00 P C +ATOM 161 HG11 VAL 9 15.474 8.794 -23.197 0.00 0.00 P H +ATOM 162 HG12 VAL 9 15.074 9.724 -21.697 0.00 0.00 P H +ATOM 163 HG13 VAL 9 15.594 7.974 -21.707 0.00 0.00 P H +ATOM 164 CG2 VAL 9 13.294 7.174 -23.097 0.00 0.00 P C +ATOM 165 HG21 VAL 9 13.854 6.264 -22.797 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.244 6.804 -23.187 0.00 0.00 P H +ATOM 167 HG23 VAL 9 13.704 7.424 -24.097 0.00 0.00 P H +ATOM 168 C VAL 9 12.854 9.324 -20.037 0.00 0.00 P C +ATOM 169 O VAL 9 13.944 9.734 -19.487 0.00 0.00 P O +ATOM 170 N LYS 10 11.654 9.954 -19.827 0.00 0.00 P N +ATOM 171 HN LYS 10 10.914 9.574 -20.377 0.00 0.00 P H +ATOM 172 CA LYS 10 11.374 11.144 -19.067 0.00 0.00 P C +ATOM 173 HA LYS 10 11.984 12.014 -19.267 0.00 0.00 P H +ATOM 174 CB LYS 10 9.914 11.744 -19.287 0.00 0.00 P C +ATOM 175 HB1 LYS 10 9.134 11.024 -18.967 0.00 0.00 P H +ATOM 176 HB2 LYS 10 9.714 12.704 -18.757 0.00 0.00 P H +ATOM 177 CG LYS 10 9.564 12.054 -20.757 0.00 0.00 P C +ATOM 178 HG1 LYS 10 10.244 12.874 -21.067 0.00 0.00 P H +ATOM 179 HG2 LYS 10 9.794 11.204 -21.427 0.00 0.00 P H +ATOM 180 CD LYS 10 8.204 12.544 -20.987 0.00 0.00 P C +ATOM 181 HD1 LYS 10 7.984 13.444 -20.367 0.00 0.00 P H +ATOM 182 HD2 LYS 10 8.154 12.744 -22.077 0.00 0.00 P H +ATOM 183 CE LYS 10 7.004 11.544 -20.757 0.00 0.00 P C +ATOM 184 HE1 LYS 10 6.924 11.174 -19.717 0.00 0.00 P H +ATOM 185 HE2 LYS 10 6.084 11.964 -21.217 0.00 0.00 P H +ATOM 186 NZ LYS 10 7.194 10.304 -21.557 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 6.984 10.314 -22.577 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 8.114 9.804 -21.517 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 6.594 9.664 -20.997 0.00 0.00 P H +ATOM 190 C LYS 10 11.494 10.874 -17.497 0.00 0.00 P C +ATOM 191 O LYS 10 11.554 9.654 -17.167 0.00 0.00 P O +ATOM 192 N GLY 11 11.554 11.934 -16.617 0.00 0.00 P N +ATOM 193 HN GLY 11 11.674 12.894 -16.877 0.00 0.00 P H +ATOM 194 CA GLY 11 11.804 11.714 -15.197 0.00 0.00 P C +ATOM 195 HA1 GLY 11 11.624 10.684 -14.897 0.00 0.00 P H +ATOM 196 HA2 GLY 11 12.824 11.974 -14.967 0.00 0.00 P H +ATOM 197 C GLY 11 10.984 12.574 -14.367 0.00 0.00 P C +ATOM 198 O GLY 11 11.364 13.694 -14.077 0.00 0.00 P O +ATOM 199 N MET 12 9.724 12.234 -14.107 0.00 0.00 P N +ATOM 200 HN MET 12 9.354 11.394 -14.487 0.00 0.00 P H +ATOM 201 CA MET 12 8.724 13.144 -13.467 0.00 0.00 P C +ATOM 202 HA MET 12 9.304 14.004 -13.167 0.00 0.00 P H +ATOM 203 CB MET 12 7.714 13.584 -14.457 0.00 0.00 P C +ATOM 204 HB1 MET 12 7.144 12.724 -14.877 0.00 0.00 P H +ATOM 205 HB2 MET 12 6.914 14.224 -14.027 0.00 0.00 P H +ATOM 206 CG MET 12 8.214 14.394 -15.617 0.00 0.00 P C +ATOM 207 HG1 MET 12 9.154 13.954 -16.027 0.00 0.00 P H +ATOM 208 HG2 MET 12 7.604 14.284 -16.537 0.00 0.00 P H +ATOM 209 SD MET 12 8.314 16.234 -15.317 0.00 0.00 P S +ATOM 210 CE MET 12 8.644 16.854 -16.977 0.00 0.00 P C +ATOM 211 HE1 MET 12 9.424 16.214 -17.437 0.00 0.00 P H +ATOM 212 HE2 MET 12 7.744 16.774 -17.617 0.00 0.00 P H +ATOM 213 HE3 MET 12 9.034 17.874 -16.777 0.00 0.00 P H +ATOM 214 C MET 12 8.014 12.744 -12.197 0.00 0.00 P C +ATOM 215 O MET 12 7.584 11.594 -12.077 0.00 0.00 P O +ATOM 216 N GLY 13 8.124 13.434 -11.077 0.00 0.00 P N +ATOM 217 HN GLY 13 8.724 14.214 -10.907 0.00 0.00 P H +ATOM 218 CA GLY 13 7.424 13.314 -9.787 0.00 0.00 P C +ATOM 219 HA1 GLY 13 7.634 12.324 -9.417 0.00 0.00 P H +ATOM 220 HA2 GLY 13 7.644 13.954 -8.947 0.00 0.00 P H +ATOM 221 C GLY 13 5.994 13.354 -10.017 0.00 0.00 P C +ATOM 222 O GLY 13 5.354 13.734 -11.107 0.00 0.00 P O +ATOM 223 N LYS 14 5.294 12.944 -8.987 0.00 0.00 P N +ATOM 224 HN LYS 14 5.714 12.984 -8.077 0.00 0.00 P H +ATOM 225 CA LYS 14 3.944 12.584 -8.987 0.00 0.00 P C +ATOM 226 HA LYS 14 3.444 12.924 -9.887 0.00 0.00 P H +ATOM 227 CB LYS 14 3.774 11.024 -9.127 0.00 0.00 P C +ATOM 228 HB1 LYS 14 2.774 10.864 -9.577 0.00 0.00 P H +ATOM 229 HB2 LYS 14 4.634 10.924 -9.827 0.00 0.00 P H +ATOM 230 CG LYS 14 4.124 10.234 -7.827 0.00 0.00 P C +ATOM 231 HG1 LYS 14 5.084 10.624 -7.437 0.00 0.00 P H +ATOM 232 HG2 LYS 14 3.354 10.374 -7.027 0.00 0.00 P H +ATOM 233 CD LYS 14 4.084 8.664 -8.087 0.00 0.00 P C +ATOM 234 HD1 LYS 14 4.974 8.554 -8.747 0.00 0.00 P H +ATOM 235 HD2 LYS 14 4.404 8.134 -7.167 0.00 0.00 P H +ATOM 236 CE LYS 14 2.784 8.214 -8.537 0.00 0.00 P C +ATOM 237 HE1 LYS 14 2.234 7.824 -7.657 0.00 0.00 P H +ATOM 238 HE2 LYS 14 2.064 8.784 -9.157 0.00 0.00 P H +ATOM 239 NZ LYS 14 3.144 7.004 -9.227 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 3.634 6.314 -8.627 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 2.374 6.404 -9.607 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 3.824 7.224 -9.987 0.00 0.00 P H +ATOM 243 C LYS 14 3.214 13.064 -7.707 0.00 0.00 P C +ATOM 244 O LYS 14 3.824 13.414 -6.687 0.00 0.00 P O +ATOM 245 N LYS 15 1.954 13.454 -7.927 0.00 0.00 P N +ATOM 246 HN LYS 15 1.694 13.704 -8.857 0.00 0.00 P H +ATOM 247 CA LYS 15 1.254 14.264 -6.857 0.00 0.00 P C +ATOM 248 HA LYS 15 1.794 14.474 -5.947 0.00 0.00 P H +ATOM 249 CB LYS 15 0.464 15.504 -7.437 0.00 0.00 P C +ATOM 250 HB1 LYS 15 -0.356 15.124 -8.087 0.00 0.00 P H +ATOM 251 HB2 LYS 15 -0.176 15.884 -6.617 0.00 0.00 P H +ATOM 252 CG LYS 15 1.154 16.724 -8.157 0.00 0.00 P C +ATOM 253 HG1 LYS 15 1.194 16.344 -9.197 0.00 0.00 P H +ATOM 254 HG2 LYS 15 0.374 17.514 -8.147 0.00 0.00 P H +ATOM 255 CD LYS 15 2.384 17.214 -7.487 0.00 0.00 P C +ATOM 256 HD1 LYS 15 2.194 17.564 -6.457 0.00 0.00 P H +ATOM 257 HD2 LYS 15 3.194 16.454 -7.447 0.00 0.00 P H +ATOM 258 CE LYS 15 3.014 18.564 -8.157 0.00 0.00 P C +ATOM 259 HE1 LYS 15 3.254 18.294 -9.207 0.00 0.00 P H +ATOM 260 HE2 LYS 15 2.174 19.304 -8.187 0.00 0.00 P H +ATOM 261 NZ LYS 15 4.234 19.054 -7.457 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 4.714 19.824 -7.957 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 3.774 19.544 -6.657 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 4.804 18.254 -7.117 0.00 0.00 P H +ATOM 265 C LYS 15 0.074 13.324 -6.237 0.00 0.00 P C +ATOM 266 O LYS 15 -0.866 13.104 -7.077 0.00 0.00 P O +ATOM 267 N GLY 16 0.084 12.764 -4.977 0.00 0.00 P N +ATOM 268 HN GLY 16 0.994 12.734 -4.557 0.00 0.00 P H +ATOM 269 CA GLY 16 -1.096 12.274 -4.247 0.00 0.00 P C +ATOM 270 HA1 GLY 16 -1.526 11.324 -4.517 0.00 0.00 P H +ATOM 271 HA2 GLY 16 -0.676 12.354 -3.257 0.00 0.00 P H +ATOM 272 C GLY 16 -2.296 13.274 -3.967 0.00 0.00 P C +ATOM 273 O GLY 16 -2.156 14.344 -3.567 0.00 0.00 P O +ATOM 274 N GLU 17 -3.526 12.774 -3.957 0.00 0.00 P N +ATOM 275 HN GLU 17 -3.806 11.824 -4.027 0.00 0.00 P H +ATOM 276 CA GLU 17 -4.646 13.654 -3.707 0.00 0.00 P C +ATOM 277 HA GLU 17 -4.526 14.474 -4.397 0.00 0.00 P H +ATOM 278 CB GLU 17 -5.896 12.964 -4.217 0.00 0.00 P C +ATOM 279 HB1 GLU 17 -5.676 13.004 -5.307 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -5.916 11.884 -3.917 0.00 0.00 P H +ATOM 281 CG GLU 17 -7.246 13.544 -3.947 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -8.026 12.914 -4.437 0.00 0.00 P H +ATOM 283 HG2 GLU 17 -7.396 13.474 -2.847 0.00 0.00 P H +ATOM 284 CD GLU 17 -7.536 14.854 -4.567 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -7.666 15.844 -3.827 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -7.886 14.974 -5.807 0.00 0.00 P O +ATOM 287 C GLU 17 -4.826 14.254 -2.297 0.00 0.00 P C +ATOM 288 O GLU 17 -4.326 13.694 -1.307 0.00 0.00 P O +ATOM 289 N ILE 18 -5.486 15.464 -2.167 0.00 0.00 P N +ATOM 290 HN ILE 18 -6.076 15.814 -2.897 0.00 0.00 P H +ATOM 291 CA ILE 18 -5.466 16.154 -0.937 0.00 0.00 P C +ATOM 292 HA ILE 18 -4.726 15.844 -0.227 0.00 0.00 P H +ATOM 293 CB ILE 18 -5.196 17.684 -1.107 0.00 0.00 P C +ATOM 294 HB ILE 18 -4.116 17.664 -1.387 0.00 0.00 P H +ATOM 295 CG2 ILE 18 -6.066 18.404 -2.227 0.00 0.00 P C +ATOM 296 HG21 ILE 18 -7.046 18.574 -1.747 0.00 0.00 P H +ATOM 297 HG22 ILE 18 -5.716 19.364 -2.677 0.00 0.00 P H +ATOM 298 HG23 ILE 18 -6.166 17.674 -3.057 0.00 0.00 P H +ATOM 299 CG1 ILE 18 -5.256 18.524 0.173 0.00 0.00 P C +ATOM 300 HG11 ILE 18 -6.246 19.024 0.233 0.00 0.00 P H +ATOM 301 HG12 ILE 18 -5.336 18.044 1.173 0.00 0.00 P H +ATOM 302 CD ILE 18 -4.206 19.534 0.333 0.00 0.00 P C +ATOM 303 HD1 ILE 18 -4.146 19.564 1.443 0.00 0.00 P H +ATOM 304 HD2 ILE 18 -3.186 19.394 -0.077 0.00 0.00 P H +ATOM 305 HD3 ILE 18 -4.466 20.554 -0.027 0.00 0.00 P H +ATOM 306 C ILE 18 -6.636 15.914 -0.077 0.00 0.00 P C +ATOM 307 O ILE 18 -6.666 15.894 1.183 0.00 0.00 P O +ATOM 308 N LYS 19 -7.726 15.504 -0.677 0.00 0.00 P N +ATOM 309 HN LYS 19 -7.886 15.834 -1.607 0.00 0.00 P H +ATOM 310 CA LYS 19 -8.876 14.844 -0.097 0.00 0.00 P C +ATOM 311 HA LYS 19 -9.246 15.484 0.703 0.00 0.00 P H +ATOM 312 CB LYS 19 -10.116 14.934 -1.007 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -9.866 14.384 -1.937 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -11.076 14.704 -0.517 0.00 0.00 P H +ATOM 315 CG LYS 19 -10.346 16.344 -1.687 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -10.646 16.814 -0.727 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -9.406 16.904 -1.897 0.00 0.00 P H +ATOM 318 CD LYS 19 -11.446 16.334 -2.777 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -12.336 15.764 -2.437 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -11.766 17.384 -2.937 0.00 0.00 P H +ATOM 321 CE LYS 19 -10.826 15.874 -4.097 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -10.106 15.034 -4.017 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -11.586 15.664 -4.867 0.00 0.00 P H +ATOM 324 NZ LYS 19 -9.986 16.974 -4.617 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -10.216 17.084 -5.627 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -9.986 17.884 -4.117 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -9.056 16.524 -4.607 0.00 0.00 P H +ATOM 328 C LYS 19 -8.816 13.474 0.473 0.00 0.00 P C +ATOM 329 O LYS 19 -9.736 13.084 1.153 0.00 0.00 P O +ATOM 330 N ASN 20 -7.766 12.794 0.173 0.00 0.00 P N +ATOM 331 HN ASN 20 -7.006 13.274 -0.267 0.00 0.00 P H +ATOM 332 CA ASN 20 -7.436 11.504 0.573 0.00 0.00 P C +ATOM 333 HA ASN 20 -8.186 11.254 1.313 0.00 0.00 P H +ATOM 334 CB ASN 20 -7.276 10.474 -0.577 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -8.246 10.504 -1.117 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -6.456 10.874 -1.217 0.00 0.00 P H +ATOM 337 CG ASN 20 -7.166 8.944 -0.187 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -7.176 8.014 -0.997 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -7.196 8.604 1.123 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -7.406 7.634 1.223 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -7.406 9.384 1.713 0.00 0.00 P H +ATOM 342 C ASN 20 -6.156 11.474 1.303 0.00 0.00 P C +ATOM 343 O ASN 20 -5.146 11.254 0.623 0.00 0.00 P O +ATOM 344 N VAL 21 -6.056 11.834 2.613 0.00 0.00 P N +ATOM 345 HN VAL 21 -6.926 12.154 2.983 0.00 0.00 P H +ATOM 346 CA VAL 21 -4.986 11.844 3.483 0.00 0.00 P C +ATOM 347 HA VAL 21 -4.096 11.724 2.873 0.00 0.00 P H +ATOM 348 CB VAL 21 -4.726 13.224 4.233 0.00 0.00 P C +ATOM 349 HB VAL 21 -3.656 13.304 4.543 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -5.116 14.334 3.203 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -4.686 15.314 3.523 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -4.696 14.254 2.173 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.206 14.264 2.983 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.646 13.294 5.463 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -5.396 14.234 6.013 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -6.636 13.504 5.013 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.676 12.384 6.093 0.00 0.00 P H +ATOM 358 C VAL 21 -4.956 10.664 4.313 0.00 0.00 P C +ATOM 359 O VAL 21 -5.946 9.974 4.323 0.00 0.00 P O +ATOM 360 N ALA 22 -3.896 10.354 5.053 0.00 0.00 P N +ATOM 361 HN ALA 22 -3.136 10.984 4.963 0.00 0.00 P H +ATOM 362 CA ALA 22 -3.826 9.154 5.803 0.00 0.00 P C +ATOM 363 HA ALA 22 -4.306 8.384 5.213 0.00 0.00 P H +ATOM 364 CB ALA 22 -2.276 8.804 6.033 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -1.696 9.514 6.673 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -2.296 7.854 6.603 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -1.916 8.784 4.983 0.00 0.00 P H +ATOM 368 C ALA 22 -4.516 9.274 7.123 0.00 0.00 P C +ATOM 369 O ALA 22 -4.486 10.274 7.823 0.00 0.00 P O +ATOM 370 N ASP 23 -5.156 8.164 7.553 0.00 0.00 P N +ATOM 371 HN ASP 23 -5.446 7.374 7.033 0.00 0.00 P H +ATOM 372 CA ASP 23 -5.936 8.074 8.843 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.476 9.014 8.793 0.00 0.00 P H +ATOM 374 CB ASP 23 -6.896 6.804 9.003 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -6.266 5.904 8.843 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.156 6.704 10.073 0.00 0.00 P H +ATOM 377 CG ASP 23 -8.006 6.694 8.003 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -8.026 7.124 6.823 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -8.776 5.694 8.283 0.00 0.00 P O +ATOM 380 C ASP 23 -5.056 8.294 10.003 0.00 0.00 P C +ATOM 381 O ASP 23 -4.256 7.454 10.283 0.00 0.00 P O +ATOM 382 N GLY 24 -5.156 9.494 10.653 0.00 0.00 P N +ATOM 383 HN GLY 24 -5.676 10.164 10.143 0.00 0.00 P H +ATOM 384 CA GLY 24 -4.256 9.944 11.733 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -3.356 9.614 11.243 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -4.406 11.014 11.833 0.00 0.00 P H +ATOM 387 C GLY 24 -4.366 9.234 13.013 0.00 0.00 P C +ATOM 388 O GLY 24 -3.426 8.884 13.753 0.00 0.00 P O +ATOM 389 N TYR 25 -5.546 8.974 13.523 0.00 0.00 P N +ATOM 390 HN TYR 25 -6.246 9.344 12.923 0.00 0.00 P H +ATOM 391 CA TYR 25 -5.836 8.174 14.673 0.00 0.00 P C +ATOM 392 HA TYR 25 -4.986 7.864 15.253 0.00 0.00 P H +ATOM 393 CB TYR 25 -6.906 8.984 15.573 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -7.816 9.164 14.953 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -7.146 8.424 16.503 0.00 0.00 P H +ATOM 396 CG TYR 25 -6.236 10.184 16.073 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -6.506 11.404 15.533 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -7.266 11.404 14.763 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -5.836 12.554 15.953 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -6.026 13.504 15.483 0.00 0.00 P H +ATOM 401 CZ TYR 25 -4.926 12.404 17.053 0.00 0.00 P C +ATOM 402 OH TYR 25 -4.526 13.664 17.603 0.00 0.00 P O +ATOM 403 HH TYR 25 -4.606 14.214 16.813 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -5.246 10.024 17.063 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -4.796 9.114 17.453 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -4.506 11.134 17.433 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -3.746 11.134 18.193 0.00 0.00 P H +ATOM 408 C TYR 25 -6.496 6.784 14.293 0.00 0.00 P C +ATOM 409 O TYR 25 -7.596 6.394 14.653 0.00 0.00 P O +ATOM 410 N ALA 26 -5.716 6.054 13.373 0.00 0.00 P N +ATOM 411 HN ALA 26 -4.796 6.414 13.293 0.00 0.00 P H +ATOM 412 CA ALA 26 -6.136 4.764 12.983 0.00 0.00 P C +ATOM 413 HA ALA 26 -7.206 4.704 13.013 0.00 0.00 P H +ATOM 414 CB ALA 26 -5.576 4.374 11.513 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -6.066 3.474 11.093 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -5.696 5.204 10.783 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -4.476 4.424 11.643 0.00 0.00 P H +ATOM 418 C ALA 26 -5.616 3.724 13.983 0.00 0.00 P C +ATOM 419 O ALA 26 -4.526 3.704 14.553 0.00 0.00 P O +ATOM 420 N ASN 27 -6.446 2.664 14.213 0.00 0.00 P N +ATOM 421 HN ASN 27 -7.386 2.504 13.943 0.00 0.00 P H +ATOM 422 CA ASN 27 -6.096 1.674 15.153 0.00 0.00 P C +ATOM 423 HA ASN 27 -5.066 1.744 15.463 0.00 0.00 P H +ATOM 424 CB ASN 27 -7.106 1.824 16.453 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -7.096 2.924 16.573 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -8.116 1.434 16.213 0.00 0.00 P H +ATOM 427 CG ASN 27 -6.586 0.994 17.633 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -5.556 0.274 17.683 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -7.476 1.024 18.663 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -8.246 1.654 18.613 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -7.536 0.274 19.323 0.00 0.00 P H +ATOM 432 C ASN 27 -6.246 0.334 14.493 0.00 0.00 P C +ATOM 433 O ASN 27 -7.236 -0.016 13.943 0.00 0.00 P O +ATOM 434 N ASN 28 -5.066 -0.426 14.673 0.00 0.00 P N +ATOM 435 HN ASN 28 -4.256 -0.136 15.173 0.00 0.00 P H +ATOM 436 CA ASN 28 -4.736 -1.696 14.023 0.00 0.00 P C +ATOM 437 HA ASN 28 -5.306 -1.726 13.113 0.00 0.00 P H +ATOM 438 CB ASN 28 -3.266 -1.756 13.583 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -2.666 -1.606 14.513 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -3.166 -2.766 13.133 0.00 0.00 P H +ATOM 441 CG ASN 28 -2.736 -0.766 12.473 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -1.486 -0.556 12.543 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -3.476 -0.186 11.593 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -4.316 -0.686 11.373 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -3.056 0.504 11.003 0.00 0.00 P H +ATOM 446 C ASN 28 -5.256 -2.836 14.793 0.00 0.00 P C +ATOM 447 O ASN 28 -4.896 -3.106 15.933 0.00 0.00 P O +ATOM 448 N PHE 29 -6.256 -3.596 14.263 0.00 0.00 P N +ATOM 449 HN PHE 29 -6.826 -3.436 13.463 0.00 0.00 P H +ATOM 450 CA PHE 29 -6.816 -4.796 14.923 0.00 0.00 P C +ATOM 451 HA PHE 29 -7.066 -4.436 15.903 0.00 0.00 P H +ATOM 452 CB PHE 29 -7.976 -5.526 14.143 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -7.956 -5.876 13.093 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -8.276 -6.366 14.813 0.00 0.00 P H +ATOM 455 CG PHE 29 -9.076 -4.416 14.073 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -10.106 -4.446 13.063 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -10.166 -5.116 12.213 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -11.006 -3.416 12.973 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -11.776 -3.426 12.213 0.00 0.00 P H +ATOM 460 CZ PHE 29 -11.106 -2.546 14.003 0.00 0.00 P C +ATOM 461 HZ PHE 29 -11.786 -1.716 13.833 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -9.216 -3.576 15.123 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -8.676 -3.586 16.053 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.256 -2.596 15.153 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.386 -1.996 16.043 0.00 0.00 P H +ATOM 466 C PHE 29 -5.666 -5.866 15.073 0.00 0.00 P C +ATOM 467 O PHE 29 -4.696 -6.096 14.333 0.00 0.00 P O +ATOM 468 N LEU 30 -5.586 -6.406 16.303 0.00 0.00 P N +ATOM 469 HN LEU 30 -6.036 -5.936 17.053 0.00 0.00 P H +ATOM 470 CA LEU 30 -4.616 -7.346 16.733 0.00 0.00 P C +ATOM 471 HA LEU 30 -3.746 -6.896 16.293 0.00 0.00 P H +ATOM 472 CB LEU 30 -4.676 -7.366 18.333 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -5.586 -7.816 18.793 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -3.766 -7.986 18.463 0.00 0.00 P H +ATOM 475 CG LEU 30 -4.276 -5.986 18.933 0.00 0.00 P C +ATOM 476 HG LEU 30 -4.956 -5.116 18.783 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -4.186 -6.206 20.453 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -3.696 -5.346 20.953 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -5.066 -6.566 21.033 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -3.366 -6.946 20.473 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -2.996 -5.526 18.273 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -2.316 -6.386 18.073 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -3.256 -5.046 17.313 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -2.356 -4.826 18.863 0.00 0.00 P H +ATOM 485 C LEU 30 -4.856 -8.816 16.193 0.00 0.00 P C +ATOM 486 O LEU 30 -5.966 -9.146 15.753 0.00 0.00 P O +ATOM 487 N PHE 31 -3.886 -9.746 16.233 0.00 0.00 P N +ATOM 488 HN PHE 31 -3.016 -9.396 16.593 0.00 0.00 P H +ATOM 489 CA PHE 31 -3.846 -11.006 15.583 0.00 0.00 P C +ATOM 490 HA PHE 31 -3.746 -10.906 14.513 0.00 0.00 P H +ATOM 491 CB PHE 31 -2.466 -11.796 15.883 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -1.656 -11.036 15.803 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -2.526 -12.246 16.903 0.00 0.00 P H +ATOM 494 CG PHE 31 -1.996 -12.886 14.903 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -2.196 -14.266 15.163 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -2.586 -14.596 16.123 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -1.836 -15.216 14.183 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -2.136 -16.246 14.333 0.00 0.00 P H +ATOM 499 CZ PHE 31 -1.256 -14.796 12.943 0.00 0.00 P C +ATOM 500 HZ PHE 31 -1.116 -15.536 12.173 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -1.406 -12.566 13.663 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -1.226 -11.516 13.523 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -1.106 -13.456 12.713 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -0.626 -13.256 11.773 0.00 0.00 P H +ATOM 505 C PHE 31 -5.116 -11.976 15.823 0.00 0.00 P C +ATOM 506 O PHE 31 -5.576 -11.976 16.903 0.00 0.00 P O +ATOM 507 N LYS 32 -5.616 -12.656 14.803 0.00 0.00 P N +ATOM 508 HN LYS 32 -5.286 -12.496 13.883 0.00 0.00 P H +ATOM 509 CA LYS 32 -6.866 -13.476 14.783 0.00 0.00 P C +ATOM 510 HA LYS 32 -7.706 -12.826 14.973 0.00 0.00 P H +ATOM 511 CB LYS 32 -6.976 -13.966 13.343 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -7.256 -13.036 12.803 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -5.956 -14.326 13.083 0.00 0.00 P H +ATOM 514 CG LYS 32 -8.206 -14.886 13.083 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -8.176 -15.276 12.043 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.046 -15.756 13.753 0.00 0.00 P H +ATOM 517 CD LYS 32 -9.526 -14.346 13.583 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -10.246 -15.186 13.643 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -9.456 -13.926 14.613 0.00 0.00 P H +ATOM 520 CE LYS 32 -10.216 -13.246 12.753 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -9.526 -12.396 12.613 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -10.326 -13.466 11.673 0.00 0.00 P H +ATOM 523 NZ LYS 32 -11.376 -12.656 13.343 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -11.536 -11.646 13.133 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -12.206 -13.256 13.143 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -11.146 -12.756 14.353 0.00 0.00 P H +ATOM 527 C LYS 32 -7.036 -14.626 15.793 0.00 0.00 P C +ATOM 528 O LYS 32 -8.156 -14.776 16.303 0.00 0.00 P O +ATOM 529 N GLN 33 -5.916 -15.416 16.033 0.00 0.00 P N +ATOM 530 HN GLN 33 -5.146 -15.316 15.413 0.00 0.00 P H +ATOM 531 CA GLN 33 -6.006 -16.386 17.063 0.00 0.00 P C +ATOM 532 HA GLN 33 -6.986 -16.836 17.113 0.00 0.00 P H +ATOM 533 CB GLN 33 -5.116 -17.506 16.573 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -4.096 -17.166 16.293 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -5.076 -18.286 17.353 0.00 0.00 P H +ATOM 536 CG GLN 33 -5.696 -18.366 15.433 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -6.586 -18.956 15.753 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -5.896 -17.756 14.523 0.00 0.00 P H +ATOM 539 CD GLN 33 -4.686 -19.466 15.043 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -3.596 -19.696 15.463 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -5.176 -20.206 14.023 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -4.496 -20.826 13.633 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -6.116 -20.196 13.673 0.00 0.00 P H +ATOM 544 C GLN 33 -5.476 -15.996 18.453 0.00 0.00 P C +ATOM 545 O GLN 33 -5.096 -16.846 19.243 0.00 0.00 P O +ATOM 546 N GLY 34 -5.376 -14.686 18.773 0.00 0.00 P N +ATOM 547 HN GLY 34 -5.766 -13.976 18.203 0.00 0.00 P H +ATOM 548 CA GLY 34 -4.726 -14.236 19.973 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -4.466 -13.206 19.773 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -5.316 -14.496 20.843 0.00 0.00 P H +ATOM 551 C GLY 34 -3.306 -14.796 20.263 0.00 0.00 P C +ATOM 552 O GLY 34 -2.446 -14.536 19.493 0.00 0.00 P O +ATOM 553 N LEU 35 -3.136 -15.466 21.403 0.00 0.00 P N +ATOM 554 HN LEU 35 -3.936 -15.766 21.913 0.00 0.00 P H +ATOM 555 CA LEU 35 -1.926 -16.096 21.923 0.00 0.00 P C +ATOM 556 HA LEU 35 -1.326 -15.286 22.303 0.00 0.00 P H +ATOM 557 CB LEU 35 -2.336 -17.236 22.813 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -2.826 -18.076 22.263 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -1.446 -17.656 23.313 0.00 0.00 P H +ATOM 560 CG LEU 35 -3.486 -16.966 23.953 0.00 0.00 P C +ATOM 561 HG LEU 35 -4.446 -16.616 23.523 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -3.816 -18.206 24.723 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -4.576 -18.766 24.133 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -2.926 -18.866 24.783 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -4.106 -17.896 25.753 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -2.886 -15.896 24.953 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -2.616 -14.916 24.493 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -3.376 -15.806 25.943 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -1.966 -16.486 25.163 0.00 0.00 P H +ATOM 570 C LEU 35 -1.066 -16.756 20.793 0.00 0.00 P C +ATOM 571 O LEU 35 0.144 -16.616 20.733 0.00 0.00 P O +ATOM 572 N ALA 36 -1.716 -17.676 19.953 0.00 0.00 P N +ATOM 573 HN ALA 36 -2.686 -17.816 20.133 0.00 0.00 P H +ATOM 574 CA ALA 36 -1.246 -18.176 18.703 0.00 0.00 P C +ATOM 575 HA ALA 36 -2.026 -18.806 18.313 0.00 0.00 P H +ATOM 576 CB ALA 36 -1.156 -17.056 17.643 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -2.086 -16.446 17.603 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -0.416 -16.266 17.893 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -0.946 -17.536 16.663 0.00 0.00 P H +ATOM 580 C ALA 36 0.044 -18.946 18.893 0.00 0.00 P C +ATOM 581 O ALA 36 0.954 -18.876 18.053 0.00 0.00 P O +ATOM 582 N ILE 37 0.174 -19.736 20.023 0.00 0.00 P N +ATOM 583 HN ILE 37 -0.586 -19.786 20.673 0.00 0.00 P H +ATOM 584 CA ILE 37 1.334 -20.496 20.303 0.00 0.00 P C +ATOM 585 HA ILE 37 2.094 -20.146 19.623 0.00 0.00 P H +ATOM 586 CB ILE 37 1.874 -20.256 21.763 0.00 0.00 P C +ATOM 587 HB ILE 37 2.464 -21.146 22.063 0.00 0.00 P H +ATOM 588 CG2 ILE 37 2.814 -18.946 21.663 0.00 0.00 P C +ATOM 589 HG21 ILE 37 2.064 -18.126 21.653 0.00 0.00 P H +ATOM 590 HG22 ILE 37 3.484 -19.046 22.543 0.00 0.00 P H +ATOM 591 HG23 ILE 37 3.394 -18.936 20.713 0.00 0.00 P H +ATOM 592 CG1 ILE 37 0.684 -20.216 22.833 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -0.016 -19.386 22.613 0.00 0.00 P H +ATOM 594 HG12 ILE 37 0.004 -21.036 22.543 0.00 0.00 P H +ATOM 595 CD ILE 37 0.864 -20.206 24.353 0.00 0.00 P C +ATOM 596 HD1 ILE 37 0.044 -19.776 24.963 0.00 0.00 P H +ATOM 597 HD2 ILE 37 1.154 -21.256 24.603 0.00 0.00 P H +ATOM 598 HD3 ILE 37 1.794 -19.606 24.363 0.00 0.00 P H +ATOM 599 C ILE 37 1.204 -21.946 19.933 0.00 0.00 P C +ATOM 600 O ILE 37 2.034 -22.836 19.923 0.00 0.00 P O +ATOM 601 N GLU 38 -0.106 -22.166 19.643 0.00 0.00 P N +ATOM 602 HN GLU 38 -0.796 -21.506 19.923 0.00 0.00 P H +ATOM 603 CA GLU 38 -0.576 -23.486 19.103 0.00 0.00 P C +ATOM 604 HA GLU 38 0.084 -24.226 19.523 0.00 0.00 P H +ATOM 605 CB GLU 38 -2.106 -23.796 19.273 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -2.666 -23.036 18.703 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -2.366 -24.806 18.893 0.00 0.00 P H +ATOM 608 CG GLU 38 -2.426 -23.826 20.803 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -1.946 -24.776 21.103 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -1.976 -22.996 21.393 0.00 0.00 P H +ATOM 611 CD GLU 38 -3.856 -24.006 20.993 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -4.626 -23.086 20.713 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -4.286 -25.126 21.513 0.00 0.00 P O +ATOM 614 C GLU 38 -0.316 -23.476 17.613 0.00 0.00 P C +ATOM 615 O GLU 38 -0.746 -24.436 16.893 0.00 0.00 P O +ATOM 616 N ALA 39 0.234 -22.426 17.033 0.00 0.00 P N +ATOM 617 HN ALA 39 0.684 -21.706 17.563 0.00 0.00 P H +ATOM 618 CA ALA 39 0.484 -22.196 15.623 0.00 0.00 P C +ATOM 619 HA ALA 39 0.084 -22.936 14.943 0.00 0.00 P H +ATOM 620 CB ALA 39 -0.356 -20.996 15.103 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -0.166 -20.806 14.033 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -1.456 -21.056 15.263 0.00 0.00 P H +ATOM 623 HB3 ALA 39 0.214 -20.186 15.613 0.00 0.00 P H +ATOM 624 C ALA 39 1.864 -21.986 15.303 0.00 0.00 P C +ATOM 625 O ALA 39 2.764 -21.796 16.153 0.00 0.00 P O +ATOM 626 NT ALA 39 2.164 -22.016 13.933 0.00 0.00 P N +ATOM 627 HNT ALA 39 1.404 -22.306 13.343 0.00 0.00 P H +ATOM 628 CAT ALA 39 3.454 -22.236 13.393 0.00 0.00 P C +ATOM 629 HT1 ALA 39 3.604 -23.306 13.123 0.00 0.00 P H +ATOM 630 HT2 ALA 39 3.724 -21.636 12.493 0.00 0.00 P H +ATOM 631 HT3 ALA 39 4.214 -22.076 14.183 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 23.955 -21.368 -19.173 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 24.125 -22.098 -19.773 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 23.945 -20.588 -19.733 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 3.016 -23.638 -5.057 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 3.056 -22.698 -4.877 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 3.766 -23.808 -5.617 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 2.775 -4.771 -5.286 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 2.565 -4.811 -6.226 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 3.425 -5.461 -5.156 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -2.306 16.675 -11.947 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -1.756 15.955 -12.247 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -2.946 16.795 -12.647 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 7.722 -23.340 -12.601 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 8.412 -23.970 -12.791 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.912 -23.840 -12.651 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 9.545 20.877 24.725 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 10.005 21.637 25.075 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 9.175 21.177 23.895 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 -1.877 -5.227 11.428 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 -2.757 -5.117 11.088 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 -1.317 -4.827 10.768 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -22.096 15.862 18.678 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -22.916 15.932 18.188 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -21.426 16.172 18.068 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 11.670 -19.587 7.141 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 11.480 -19.747 6.211 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 11.200 -18.777 7.341 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 5.091 -25.190 -12.699 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 4.191 -25.030 -12.979 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 5.111 -24.890 -11.789 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 6.910 -18.748 -5.791 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 7.520 -18.018 -5.751 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 7.450 -19.518 -5.641 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 -10.424 22.097 22.705 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 -9.954 21.347 23.065 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 -10.614 21.847 21.805 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 4.426 17.107 -24.303 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 4.256 18.047 -24.383 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 3.926 16.707 -25.023 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 6.032 -17.283 -9.939 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 5.532 -16.683 -10.489 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 5.372 -17.703 -9.379 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 18.735 8.713 16.951 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 17.855 9.073 17.071 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 18.615 7.953 16.381 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 -15.895 5.973 15.208 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 -15.855 5.013 15.188 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 -15.955 6.223 14.288 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 15.272 16.517 9.541 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 14.462 16.787 9.971 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 15.902 17.207 9.761 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 13.182 15.665 6.517 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 13.052 16.575 6.787 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 13.262 15.705 5.567 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -19.668 11.507 18.395 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -19.068 12.217 18.155 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -20.038 11.217 17.555 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 17.895 -16.383 -7.419 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 17.065 -16.333 -6.949 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 17.655 -16.703 -8.289 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 13.316 -6.289 4.478 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 13.096 -5.409 4.198 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 13.156 -6.829 3.698 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 17.834 10.325 -21.329 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 17.484 11.215 -21.309 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 17.064 9.765 -21.189 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -2.019 17.155 -22.439 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -1.679 16.705 -23.219 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -2.319 16.455 -21.869 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 2.305 -12.793 -16.071 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 1.595 -12.683 -15.431 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 2.355 -11.953 -16.521 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 -23.993 -9.166 -21.011 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 -23.243 -8.566 -21.041 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 -24.303 -9.196 -21.911 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -3.034 -8.079 -11.946 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -3.284 -7.159 -11.926 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -2.604 -8.239 -11.106 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -9.228 -18.073 -20.635 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -9.708 -17.243 -20.675 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -9.768 -18.633 -20.075 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 -6.707 19.425 21.429 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 -6.267 20.215 21.119 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 -6.237 19.175 22.229 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -24.606 2.921 -18.423 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -25.396 2.661 -17.943 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -23.906 2.401 -18.023 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 5.190 6.185 -19.337 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 5.610 6.935 -18.927 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 5.420 6.245 -20.257 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 17.104 -14.137 -4.038 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 17.884 -13.877 -4.528 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 16.584 -13.337 -3.968 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 -10.083 -14.903 2.928 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 -9.553 -14.933 3.728 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 -10.513 -14.053 2.958 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 16.764 -24.477 -10.561 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 16.564 -25.107 -9.871 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 15.974 -23.937 -10.641 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 -8.545 -11.048 -16.741 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 -7.745 -10.608 -17.021 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 -8.375 -11.978 -16.901 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 9.999 16.685 -2.965 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 10.229 17.185 -3.755 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 9.039 16.695 -2.945 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -16.656 -14.667 -16.766 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -17.526 -14.277 -16.836 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -16.266 -14.567 -17.636 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 7.804 20.585 19.443 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 7.364 20.025 20.083 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 7.144 21.235 19.193 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 -9.945 -18.567 12.138 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 -10.405 -19.157 11.538 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 -9.795 -17.767 11.628 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -17.004 10.154 -9.681 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -17.724 10.774 -9.561 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -16.234 10.704 -9.821 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 5.164 -22.019 -6.459 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 5.394 -21.429 -5.739 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 5.944 -22.059 -6.999 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -22.387 21.830 0.865 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -21.817 21.510 1.565 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -22.827 21.050 0.545 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 -11.499 -3.190 1.928 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 -11.939 -2.720 2.638 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 -10.769 -3.630 2.348 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 -17.997 2.945 -17.332 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 -17.407 3.605 -16.982 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 -18.697 2.875 -16.672 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 -25.116 18.283 -5.629 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 -24.856 17.363 -5.659 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 -25.436 18.463 -6.519 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 23.155 -24.226 16.353 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 22.485 -24.396 17.013 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 23.985 -24.276 16.843 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 -24.429 -5.066 -1.955 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 -24.119 -5.206 -2.845 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 -25.339 -5.366 -1.965 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 1.994 -4.180 8.002 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 2.444 -3.480 7.542 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 1.854 -4.860 7.332 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -6.247 -4.383 23.921 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -6.127 -3.493 23.601 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -5.947 -4.363 24.831 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 23.040 10.147 3.541 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 22.850 9.377 4.081 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 23.470 9.797 2.761 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 15.465 8.293 -15.001 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 14.605 8.693 -15.121 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 15.845 8.753 -14.251 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 18.402 3.395 8.464 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 18.462 2.765 7.744 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 19.052 3.095 9.094 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 8.502 4.676 -11.869 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 9.312 4.856 -12.349 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 8.752 4.056 -11.189 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 -8.286 -3.516 -16.857 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 -7.616 -3.006 -17.317 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 -7.796 -4.116 -16.297 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 -20.996 -0.206 -24.967 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 -21.456 -0.796 -24.367 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 -20.326 0.214 -24.427 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 10.031 -13.309 -14.213 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 10.911 -12.939 -14.143 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 10.121 -14.209 -13.893 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -21.947 -7.105 1.764 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -21.917 -7.775 1.074 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -21.037 -6.995 2.034 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 14.792 11.096 -5.476 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.032 10.346 -6.026 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 14.722 11.826 -6.076 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 -10.337 -8.954 -7.855 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 -9.427 -9.244 -7.795 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 -10.647 -9.294 -8.695 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 17.045 1.816 -11.421 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 16.725 2.716 -11.441 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 17.835 1.836 -11.961 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -15.284 0.527 6.989 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -15.424 1.467 6.869 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -15.404 0.157 6.119 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 6.354 5.267 -21.637 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 7.274 5.017 -21.627 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 5.874 4.437 -21.567 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 -3.333 20.485 -3.313 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 -3.953 21.125 -2.983 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 -2.723 20.345 -2.583 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -3.981 22.857 -7.271 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -3.711 21.997 -6.961 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -4.941 22.797 -7.341 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -19.157 -19.163 -4.919 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -18.717 -18.693 -4.209 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -19.657 -19.853 -4.489 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -1.359 5.941 18.385 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -0.689 6.621 18.355 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -1.329 5.621 19.295 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 3.751 -9.218 -10.775 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 4.091 -8.488 -11.305 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 2.901 -9.408 -11.175 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -1.528 -25.576 0.673 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -2.468 -25.606 0.483 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -1.318 -24.646 0.723 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -18.064 -10.155 12.815 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -18.644 -10.915 12.785 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -18.664 -9.405 12.875 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -7.585 12.859 23.724 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -8.295 12.229 23.814 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -6.815 12.419 24.064 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -7.748 9.517 11.738 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -8.028 10.357 12.078 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -8.148 9.447 10.878 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -15.976 -1.699 -4.698 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -15.366 -1.249 -4.108 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -15.516 -1.729 -5.528 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 2.119 -2.755 22.534 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 1.319 -3.225 22.294 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 2.699 -2.865 21.784 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 13.944 7.726 23.894 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 14.514 7.936 23.154 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 13.484 6.926 23.624 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 -10.383 -17.338 -16.457 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 -10.043 -16.448 -16.457 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 -10.793 -17.438 -17.317 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 18.880 21.894 -2.421 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 18.120 21.404 -2.731 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 19.580 21.644 -3.031 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 1.409 21.645 14.153 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 1.949 21.495 14.933 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 1.249 22.585 14.143 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 23.396 -14.037 -1.240 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 22.816 -13.487 -0.710 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 23.906 -13.427 -1.760 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -16.631 -24.941 -0.289 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -17.141 -25.721 -0.509 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -17.211 -24.421 0.261 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -7.260 0.835 2.009 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -6.690 0.235 2.479 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -6.670 1.475 1.609 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 22.231 -13.750 -7.595 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 23.151 -14.000 -7.585 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 21.751 -14.580 -7.645 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 23.365 16.103 19.685 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 22.895 15.303 19.415 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 23.905 15.823 20.415 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -20.836 -0.735 8.728 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -21.256 -0.095 8.148 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -20.396 -1.345 8.128 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 3.204 -13.408 -6.157 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 4.014 -13.318 -5.657 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 3.114 -14.348 -6.297 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -5.904 -11.076 20.318 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -6.624 -11.626 20.608 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -6.314 -10.406 19.768 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 -13.666 -18.025 4.104 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 -13.146 -18.385 3.394 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 -13.996 -18.795 4.584 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -8.741 18.343 18.865 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -8.991 18.953 19.555 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -9.011 17.483 19.195 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 12.297 1.571 11.925 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 11.457 1.231 12.235 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 12.747 0.801 11.565 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -16.814 -19.775 6.237 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -17.214 -20.235 6.977 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -17.274 -18.935 6.197 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 23.480 3.904 13.277 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 24.300 3.544 13.617 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 22.830 3.234 13.477 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -3.966 7.795 -12.127 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -3.426 8.545 -12.347 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -4.336 7.505 -12.957 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 19.575 -7.624 12.337 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 19.265 -8.264 12.977 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 19.225 -7.934 11.497 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 7.422 3.325 -1.339 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 7.712 3.225 -2.249 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 6.972 2.505 -1.149 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 8.994 18.342 18.481 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 8.874 19.022 19.151 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 8.744 17.532 18.921 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 -16.626 -14.415 3.787 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 -15.756 -14.295 3.407 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 -17.146 -13.675 3.467 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 -13.636 12.487 -2.405 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 -12.756 12.127 -2.395 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 -13.916 12.447 -1.485 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 8.125 -7.653 5.355 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 7.455 -7.173 5.835 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 7.925 -8.573 5.515 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 9.755 16.824 -10.151 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 10.445 16.174 -10.311 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 9.345 16.954 -11.011 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 17.580 -12.454 25.145 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 17.560 -13.404 25.045 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 17.210 -12.114 24.335 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 24.905 -4.947 1.949 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 24.995 -4.837 0.999 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 25.235 -4.127 2.319 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 19.560 -24.506 7.105 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 19.240 -25.236 6.575 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 20.310 -24.866 7.585 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 3.361 21.955 -12.779 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 2.461 21.925 -12.449 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 3.321 22.535 -13.539 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -4.406 -8.458 -15.497 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -4.206 -7.538 -15.307 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -3.676 -8.948 -15.107 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 5.315 -16.381 -16.387 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 4.435 -16.681 -16.597 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 5.235 -15.441 -16.267 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 -18.654 -19.936 13.148 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 -17.724 -19.976 13.378 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 -19.054 -19.406 13.838 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -8.728 25.171 7.991 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -8.038 24.871 8.581 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -8.648 24.591 7.231 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -8.935 15.587 21.434 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -9.405 15.497 20.604 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -8.785 14.687 21.724 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 -5.928 -23.276 23.221 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 -5.348 -23.206 22.461 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 -5.358 -23.606 23.921 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -18.413 -1.714 4.974 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -18.313 -2.164 4.134 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -17.663 -1.124 5.034 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 -6.585 -11.865 -7.165 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 -6.715 -12.385 -7.955 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 -6.045 -12.415 -6.605 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.066 18.511 -3.065 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 13.946 18.911 -2.195 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.696 17.811 -2.925 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -13.884 -10.788 -4.551 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -13.834 -11.408 -5.271 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -13.704 -9.938 -4.961 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 -21.863 -19.344 -3.161 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 -22.243 -18.644 -3.701 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 -22.343 -20.134 -3.431 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 17.332 22.874 2.679 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 17.802 22.624 3.479 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 17.382 22.084 2.129 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 9.593 -16.866 -19.919 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 9.793 -17.746 -19.599 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 10.363 -16.616 -20.429 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 -8.183 -0.589 -19.359 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 -7.533 -0.389 -20.029 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 -8.413 -1.499 -19.509 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -12.024 -13.545 18.891 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -11.204 -13.475 19.391 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -12.214 -14.475 18.871 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -15.018 11.856 -8.676 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -14.348 12.516 -8.886 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -14.578 11.016 -8.796 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -24.038 -9.397 10.911 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -23.588 -9.897 10.231 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -23.498 -8.617 11.031 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -17.885 4.432 8.635 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -16.965 4.152 8.635 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -17.885 5.242 9.135 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -8.736 10.057 20.964 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -7.976 9.487 21.014 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -9.096 10.047 21.844 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 12.893 -14.799 5.013 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 13.713 -15.209 4.733 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 13.073 -14.459 5.883 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -15.856 17.395 -1.462 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -15.226 17.205 -0.772 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -16.606 16.835 -1.262 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 -19.184 -7.348 12.901 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 -18.844 -6.458 12.931 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 -19.524 -7.448 12.021 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 4.357 -18.488 -5.533 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 5.287 -18.718 -5.553 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 3.907 -19.338 -5.553 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 6.773 16.814 9.873 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 5.863 16.514 9.863 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 7.283 16.004 9.833 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 -22.923 -8.977 -5.841 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 -22.243 -9.647 -5.821 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 -23.743 -9.467 -5.831 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -15.273 -21.139 -10.897 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -15.053 -21.459 -11.777 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -16.073 -21.609 -10.657 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 -23.583 -25.090 24.049 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 -24.483 -25.350 24.229 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 -23.583 -24.140 24.149 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -19.844 -3.606 -22.033 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -19.374 -3.136 -22.733 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -19.174 -4.176 -21.643 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 13.007 0.103 -8.775 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 12.177 0.343 -8.375 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 13.437 -0.447 -8.115 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 23.505 -5.473 -19.171 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 23.815 -5.993 -18.431 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 24.225 -5.503 -19.801 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 13.283 13.630 -24.733 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 13.433 14.030 -23.873 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 14.133 13.280 -24.983 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 11.073 10.227 -9.413 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 10.613 11.067 -9.323 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 11.993 10.477 -9.543 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 15.670 -2.428 -8.255 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 15.210 -1.918 -7.595 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 15.430 -3.338 -8.065 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 -5.435 -12.537 -14.237 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -5.805 -12.377 -13.367 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -5.555 -11.707 -14.697 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 -3.779 19.564 -10.996 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 -4.669 19.924 -11.086 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 -3.909 18.674 -10.676 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 -22.704 -8.207 -0.521 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 -23.564 -7.787 -0.601 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 -22.734 -8.927 -1.151 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 -1.945 1.106 7.239 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 -2.005 1.936 6.769 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 -2.345 1.286 8.089 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 -25.173 -1.507 24.723 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 -24.933 -1.157 23.863 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 -25.023 -0.777 25.333 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 8.844 -0.535 15.487 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 9.604 0.025 15.307 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 8.194 0.065 15.847 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -9.145 -3.734 4.459 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -9.085 -4.354 5.189 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -8.435 -3.984 3.869 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 -23.069 -24.334 -2.703 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 -23.519 -23.994 -1.923 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 -23.299 -25.264 -2.723 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 18.304 -6.844 24.215 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 17.664 -7.144 23.565 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 18.154 -7.414 24.975 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -5.984 2.933 5.628 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -5.194 2.393 5.678 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -5.674 3.823 5.828 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 -13.516 24.371 -23.202 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 -13.826 23.651 -22.662 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 -13.836 25.161 -22.762 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 18.361 9.273 -16.491 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 18.491 9.203 -15.551 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 18.051 10.163 -16.631 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 3.783 10.434 1.279 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 2.993 10.864 1.599 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 3.883 9.664 1.839 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 -5.718 -17.649 -13.773 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 -5.298 -16.889 -14.173 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 -6.388 -17.919 -14.413 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -2.017 0.943 15.605 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -2.207 1.243 16.495 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -2.097 1.733 15.065 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 22.912 -2.579 15.994 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 22.642 -3.139 15.274 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 22.962 -1.699 15.614 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 5.766 20.924 8.804 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 4.916 20.924 9.254 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 6.396 20.684 9.474 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 14.371 -15.973 -22.961 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 13.481 -15.723 -22.721 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 14.911 -15.673 -22.231 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 14.902 11.727 -11.263 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 15.442 11.117 -11.773 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 15.442 11.947 -10.503 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -4.248 21.424 15.313 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -4.678 21.044 14.543 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -3.548 21.964 14.953 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -21.924 10.112 -15.929 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -21.044 9.752 -15.829 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -22.424 9.412 -16.359 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 10.615 -3.202 -2.369 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 11.035 -2.562 -1.789 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 11.325 -3.532 -2.919 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 23.612 12.153 -13.587 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 23.012 11.583 -14.067 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 24.382 12.223 -14.147 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 -25.385 -16.795 15.769 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 -24.915 -17.615 15.929 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 -24.725 -16.115 15.889 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 23.454 -18.845 21.667 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 23.304 -18.815 20.717 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 24.394 -19.045 21.747 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 15.040 -15.820 0.575 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 15.640 -16.490 0.255 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 14.770 -15.350 -0.215 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 -11.365 -6.687 -3.979 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 -12.185 -6.227 -4.159 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 -11.485 -7.557 -4.379 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 4.886 -8.171 24.585 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 5.646 -7.691 24.905 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 4.996 -8.211 23.635 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 -17.360 23.864 23.455 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 -17.650 24.584 22.895 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 -17.280 24.254 24.325 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 0.453 -13.099 -5.605 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 1.413 -13.189 -5.645 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 0.213 -12.749 -6.465 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 9.335 4.917 22.994 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 8.465 5.247 23.194 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 9.185 4.097 22.524 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 0.822 10.416 6.577 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 1.292 10.126 5.787 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 1.242 11.246 6.797 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -16.524 -9.425 10.355 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -16.784 -9.475 11.275 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.734 -9.975 10.295 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 -1.277 16.997 19.395 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 -2.217 16.827 19.475 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 -1.077 17.597 20.115 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 -16.807 -21.156 -5.519 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 -16.447 -20.376 -5.939 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 -17.417 -21.506 -6.159 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -12.326 10.123 4.349 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -12.306 11.063 4.509 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -11.456 9.913 4.019 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 -18.758 2.493 -14.501 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 -18.268 2.033 -13.821 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 -19.678 2.423 -14.221 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 20.987 -10.014 -21.017 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 21.227 -9.284 -20.447 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 20.037 -9.944 -21.117 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -2.437 22.382 -1.231 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.917 22.252 -0.431 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.217 23.272 -1.511 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 -0.243 4.887 5.091 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 -0.283 5.487 4.341 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 0.687 4.707 5.201 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 -3.626 -9.005 8.861 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 -3.636 -9.875 8.461 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 -3.416 -8.405 8.141 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 25.355 21.126 -22.425 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 25.625 20.396 -22.985 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 24.525 20.836 -22.045 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 0.746 16.794 -3.866 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 1.556 17.074 -3.436 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 0.706 15.854 -3.706 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 10.225 -17.019 7.141 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 11.165 -17.159 7.001 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 10.195 -16.249 7.711 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 -10.623 6.286 -19.689 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 -10.903 5.496 -19.229 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 -11.443 6.746 -19.879 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 20.352 -21.117 6.527 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 20.362 -20.267 6.087 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 21.022 -21.627 6.067 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 21.132 -19.309 -11.239 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 20.292 -18.849 -11.279 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.932 -20.129 -10.789 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 16.685 -10.267 4.741 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 16.555 -9.867 5.601 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 17.215 -9.627 4.261 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 3.274 13.411 -3.895 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 3.294 12.541 -3.495 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 4.134 13.511 -4.295 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 8.993 18.111 -12.499 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 8.383 17.421 -12.749 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 8.473 18.921 -12.569 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 5.025 15.084 -15.617 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 5.015 15.714 -14.887 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 5.935 14.794 -15.667 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 0.993 -20.347 3.476 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 1.343 -21.237 3.416 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 0.713 -20.137 2.586 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -10.048 -2.619 -2.775 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -10.838 -2.299 -2.335 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -9.438 -1.879 -2.725 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 -8.157 -10.176 15.061 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 -7.687 -10.246 15.891 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 -7.617 -9.606 14.521 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -9.585 7.773 -5.005 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -9.815 6.893 -5.285 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -9.795 7.793 -4.065 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 12.514 5.211 23.949 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 12.374 4.491 24.559 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 11.634 5.551 23.759 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 7.847 -3.563 -3.045 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 8.687 -3.283 -2.695 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 7.887 -4.523 -3.025 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -25.374 -25.446 -15.663 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -24.424 -25.436 -15.573 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -25.554 -24.726 -16.283 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 2.674 16.155 7.751 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 2.304 15.575 8.411 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 2.834 16.975 8.211 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 5.435 8.206 2.754 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 5.025 7.346 2.724 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 6.345 8.036 2.974 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 9.304 22.493 6.939 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 9.234 23.213 7.559 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 10.174 22.123 7.089 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -8.784 6.187 -12.249 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -8.114 6.857 -12.379 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -8.724 5.637 -13.029 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 6.314 -20.284 20.089 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 6.904 -20.594 19.399 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 5.914 -19.494 19.729 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 1.062 2.304 -1.781 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 0.752 2.274 -2.691 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 1.942 2.694 -1.841 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -12.437 -16.706 7.107 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -13.027 -16.166 6.587 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -12.997 -17.406 7.457 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 -24.387 -19.735 18.017 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 -23.667 -20.365 17.957 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 -25.107 -20.225 18.417 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -13.553 -3.263 -17.179 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -14.463 -2.983 -17.059 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -13.443 -3.993 -16.579 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 11.475 17.743 -20.969 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 11.415 18.693 -21.059 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 11.935 17.463 -21.759 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -18.405 -16.546 -24.529 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -18.935 -16.696 -25.319 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -17.505 -16.516 -24.849 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 17.945 -5.314 -22.221 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 18.655 -5.544 -21.631 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 17.315 -6.034 -22.131 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 -13.036 22.255 -21.627 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 -13.186 21.365 -21.937 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 -12.276 22.175 -21.047 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -21.005 11.453 6.985 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -21.015 12.363 6.685 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -21.485 11.463 7.805 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 15.675 -3.620 -0.161 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 15.145 -3.940 0.569 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 16.375 -4.270 -0.251 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 12.393 -21.747 22.128 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 12.243 -21.697 23.068 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 11.813 -22.447 21.828 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 -22.876 -25.416 -6.913 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 -23.626 -25.406 -7.503 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 -22.446 -24.576 -7.063 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 3.014 12.180 -24.709 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.844 12.540 -25.039 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 3.144 12.080 -23.769 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 23.891 -7.637 -17.299 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 23.941 -8.197 -16.529 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 24.311 -8.137 -17.989 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 19.854 -0.107 -17.745 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 19.404 -0.577 -18.445 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 20.324 -0.787 -17.265 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 -23.426 4.202 1.034 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 -23.916 4.972 0.754 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 -22.586 4.272 0.594 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 -20.657 -2.885 -17.773 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 -21.517 -2.565 -17.493 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 -20.397 -2.285 -18.473 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 24.675 16.576 13.045 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 25.025 17.336 13.525 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 25.375 16.346 12.435 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -0.787 -6.586 -0.517 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -0.007 -6.066 -0.337 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -1.307 -6.046 -1.117 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 19.382 -14.630 -10.783 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 18.662 -15.120 -11.193 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 20.062 -15.280 -10.623 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 -10.754 1.612 15.191 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 -10.734 2.502 14.851 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 -10.084 1.142 14.691 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 12.393 -2.596 -0.051 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 11.913 -2.706 0.779 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 13.183 -3.126 0.049 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 -13.573 2.711 5.224 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 -13.103 2.101 4.654 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 -12.923 3.021 5.845 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 -19.674 -12.347 -20.905 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 -20.464 -12.287 -21.435 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 -19.814 -11.707 -20.205 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 7.475 -6.737 24.755 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 7.365 -6.137 24.015 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 7.935 -6.227 25.415 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 20.974 20.947 -19.622 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 20.254 20.797 -19.002 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 20.544 21.137 -20.452 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 18.944 -19.469 -4.797 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 19.804 -19.099 -4.987 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 18.354 -18.719 -4.817 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 24.534 12.965 15.071 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 24.734 12.275 14.441 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 25.394 13.245 15.391 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 -4.294 -5.044 -6.237 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 -4.044 -5.114 -7.167 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 -3.464 -5.004 -5.767 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 12.765 -20.227 -21.179 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 12.515 -19.647 -21.889 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 12.045 -20.187 -20.559 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 -13.897 21.624 -0.279 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 -13.407 22.404 0.001 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 -14.717 21.674 0.201 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -21.284 6.514 -4.165 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -21.034 6.424 -5.085 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -20.784 7.274 -3.855 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 -4.798 -10.106 -13.106 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 -4.318 -9.556 -12.496 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 -5.248 -9.486 -13.686 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 10.637 10.249 -25.017 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 10.727 10.929 -24.347 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 9.737 10.339 -25.327 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 -16.835 18.789 11.035 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 -16.455 18.799 10.155 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 -17.475 18.089 11.015 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 5.125 13.819 9.584 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 5.105 14.569 10.184 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 5.525 14.159 8.784 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 -8.246 -10.289 5.828 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 -7.436 -10.709 5.538 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 -8.706 -10.069 5.018 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -10.116 12.273 6.667 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -9.556 11.503 6.707 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -9.876 12.703 5.847 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 -21.907 12.282 -14.059 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 -21.727 12.742 -14.879 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 -21.717 11.362 -14.259 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -20.145 -0.568 -11.289 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -20.935 -0.858 -11.729 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -19.485 -0.518 -11.979 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 -22.094 15.694 -21.629 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 -21.874 16.494 -22.099 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 -21.404 15.074 -21.849 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -12.947 3.192 -8.176 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -13.017 4.142 -8.296 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.327 3.032 -7.316 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 14.103 -16.714 -19.529 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 14.083 -16.194 -18.719 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 14.133 -17.624 -19.229 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 -17.168 15.332 -13.669 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 -17.778 16.062 -13.659 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 -16.338 15.712 -13.949 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 8.654 -24.263 -8.263 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 8.194 -24.583 -7.483 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 8.114 -24.543 -8.993 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 4.603 -19.306 -17.512 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 4.813 -19.206 -16.582 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 3.723 -18.946 -17.602 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -1.629 23.305 -5.776 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -2.439 23.355 -5.266 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -1.889 23.575 -6.656 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 -18.315 -20.095 19.293 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 -18.925 -19.545 19.793 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 -18.755 -20.945 19.233 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 24.781 16.642 -15.285 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 25.151 16.022 -15.905 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 23.931 16.282 -15.055 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -11.706 -5.845 -8.759 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -11.896 -4.975 -8.429 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -12.216 -6.435 -8.199 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 4.304 23.402 -5.312 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 4.164 24.332 -5.492 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 3.424 23.062 -5.152 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 2.404 -15.094 18.661 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 2.034 -15.714 18.031 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 1.914 -15.244 19.461 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 1.575 -1.093 -21.669 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 1.205 -0.403 -21.119 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 2.115 -1.613 -21.079 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 -16.860 -8.654 -11.161 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 -16.990 -9.594 -11.191 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 -16.180 -8.484 -11.811 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -15.143 17.804 -24.695 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -14.593 18.434 -25.165 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -14.933 17.954 -23.765 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 10.092 -21.699 -14.551 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 9.202 -21.569 -14.221 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 10.032 -21.559 -15.491 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 7.592 8.322 -6.483 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 7.372 8.682 -5.623 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 8.422 8.732 -6.713 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 0.753 -8.705 -2.462 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 0.293 -8.345 -1.702 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 1.673 -8.745 -2.182 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 7.973 -12.621 -19.805 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 7.203 -12.911 -20.295 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 8.583 -13.351 -19.875 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 6.463 23.012 -14.493 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 6.563 23.832 -14.003 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 5.663 23.142 -15.003 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -9.948 -2.016 -11.421 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -9.218 -2.456 -11.001 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -10.178 -1.296 -10.831 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 -20.734 -15.349 -10.449 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 -20.274 -15.949 -11.049 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 -21.604 -15.249 -10.839 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 -9.553 3.783 -0.383 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 -10.393 4.243 -0.343 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 -9.663 3.133 -1.083 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 5.673 -12.966 -0.145 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 5.013 -12.306 -0.355 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 5.173 -13.686 0.255 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 4.535 23.986 2.525 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 5.145 23.786 3.235 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 3.825 24.476 2.945 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 5.994 16.762 4.081 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 6.044 16.202 3.311 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 5.364 16.332 4.661 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -1.267 -19.160 -20.579 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -1.017 -18.860 -19.709 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -2.217 -19.040 -20.599 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -4.167 17.714 -5.387 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -3.677 17.584 -4.577 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -5.077 17.564 -5.137 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 -3.678 20.218 5.181 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 -3.958 19.418 5.631 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 -3.078 20.638 5.801 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 7.103 -0.573 0.803 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 6.773 -0.083 1.553 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 7.653 -1.263 1.173 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 19.813 21.397 10.161 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 20.383 20.897 10.751 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 20.133 21.187 9.291 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 -7.726 -23.309 -11.609 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 -7.506 -23.339 -10.679 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 -6.996 -23.759 -12.039 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 7.359 8.977 11.403 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 6.469 8.737 11.143 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 7.909 8.737 10.653 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 24.322 5.242 -9.883 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 23.962 5.792 -9.183 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 24.652 4.462 -9.433 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 -6.887 -1.025 -0.667 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 -7.127 -0.455 0.073 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 -7.517 -0.805 -1.347 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 12.224 -20.509 10.335 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 13.024 -20.509 10.865 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 12.524 -20.549 9.435 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 -17.935 -24.384 2.405 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 -18.175 -25.244 2.755 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 -17.045 -24.234 2.735 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 -0.427 3.155 -17.421 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -1.267 2.845 -17.071 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 -0.677 3.795 -18.091 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 24.965 21.893 24.765 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 25.135 21.843 25.705 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 24.215 21.303 24.625 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 20.401 22.833 -10.785 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 19.731 22.743 -11.455 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 21.071 23.383 -11.205 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -22.897 -22.968 -23.793 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -22.117 -22.568 -23.423 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -23.617 -22.428 -23.473 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 -16.235 21.035 7.108 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 -16.115 20.095 7.228 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 -16.755 21.305 7.868 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.928 2.377 18.199 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -10.488 2.367 17.419 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -10.248 3.117 18.709 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 18.677 0.503 2.385 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 18.207 -0.267 2.075 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 18.557 0.483 3.335 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 16.585 -22.910 22.201 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 17.055 -23.720 22.381 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 17.095 -22.220 22.631 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 -10.106 -14.666 22.644 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 -9.656 -15.186 21.974 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 -9.576 -13.866 22.714 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -25.271 -4.549 7.643 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -25.681 -3.939 7.033 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -24.361 -4.259 7.703 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 3.625 16.123 -11.709 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 4.035 15.383 -11.259 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 2.845 15.743 -12.119 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 -20.267 -3.188 -5.401 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 -19.627 -3.038 -4.701 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 -21.057 -3.468 -4.951 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -0.458 14.384 -13.402 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -0.198 14.394 -14.322 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -0.648 13.454 -13.212 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 -7.790 -25.197 4.808 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 -7.620 -24.317 5.148 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 -6.930 -25.587 4.688 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -16.377 -10.427 23.629 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -16.597 -10.517 24.559 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -16.057 -9.527 23.549 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 1.494 -18.297 -11.459 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 1.404 -18.507 -10.529 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 2.204 -17.657 -11.489 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 -5.883 14.377 -19.907 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 -5.533 15.127 -19.427 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 -5.973 13.697 -19.247 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -23.588 -9.074 17.321 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -23.068 -9.834 17.591 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -23.078 -8.664 16.631 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 2.596 -9.468 11.971 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 2.616 -9.838 11.091 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 1.846 -8.888 11.981 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 8.655 7.686 -11.879 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 9.605 7.756 -11.859 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 8.415 7.896 -12.779 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 18.252 8.721 -10.233 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 18.912 8.811 -10.923 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 18.622 8.101 -9.613 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 -9.704 -24.845 -17.283 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 -9.904 -23.945 -17.043 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 -9.174 -25.185 -16.563 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 2.091 -10.832 -13.159 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 1.171 -10.562 -13.219 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 2.531 -10.352 -13.859 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 -23.777 5.434 -24.187 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 -22.907 5.334 -24.577 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 -23.747 6.294 -23.767 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 20.267 0.754 -23.008 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 20.927 1.354 -23.358 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 19.917 0.304 -23.768 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 -15.014 24.446 -7.377 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 -14.464 23.696 -7.187 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 -15.714 24.106 -7.927 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 -3.045 18.721 13.229 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 -2.145 18.751 13.579 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 -3.565 18.371 13.949 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 -7.895 -20.807 4.553 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 -7.635 -20.747 3.633 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 -7.095 -21.047 5.013 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 7.246 -20.219 -18.067 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 6.416 -20.059 -18.507 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 7.906 -19.859 -18.657 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -3.004 -5.599 -2.407 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -3.174 -4.859 -2.997 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -3.504 -5.399 -1.617 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -11.365 11.755 -15.061 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -11.245 12.655 -14.771 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -11.085 11.755 -15.981 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 13.153 -4.876 -23.317 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 13.533 -4.876 -24.197 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 13.443 -5.706 -22.937 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -11.355 20.973 -15.891 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -12.105 21.243 -15.371 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -10.845 21.773 -16.021 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 16.445 13.296 -12.972 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 16.175 14.206 -13.132 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 15.715 12.906 -12.492 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -6.797 -12.175 -19.027 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -6.117 -12.225 -19.697 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -7.617 -12.155 -19.517 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 14.326 -3.096 -21.673 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 15.266 -3.256 -21.643 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 13.956 -3.876 -22.083 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -1.604 19.111 21.674 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -1.544 18.631 22.504 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -2.274 19.771 21.824 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 11.453 23.462 13.277 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 10.793 23.832 12.697 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 11.773 24.202 13.797 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.416 18.426 -1.631 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.636 17.736 -1.011 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -19.416 17.986 -2.481 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 2.042 -3.905 5.394 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 1.132 -4.185 5.234 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 2.222 -3.265 4.704 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -20.754 -20.637 5.367 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -19.884 -20.597 4.957 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -21.364 -20.557 4.637 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 19.924 -0.518 15.913 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 20.734 -0.768 16.363 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 19.964 0.432 15.863 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -15.663 1.873 1.385 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -15.253 2.483 0.775 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -15.423 1.003 1.035 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -1.853 3.423 12.563 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -2.073 3.263 13.483 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -1.833 4.383 12.483 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 2.572 0.470 -10.622 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 3.292 1.030 -10.322 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 1.782 0.980 -10.432 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 -1.685 -6.376 -19.649 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 -1.835 -6.466 -20.589 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 -2.455 -6.776 -19.239 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 -24.231 -23.286 -17.649 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -25.131 -23.406 -17.949 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 -24.291 -22.656 -16.939 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -10.308 17.253 2.080 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -9.808 17.323 2.890 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -10.848 18.043 2.050 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 -19.113 -4.878 -8.012 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 -19.743 -4.408 -7.462 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 -19.363 -4.658 -8.912 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 25.084 -1.563 -9.587 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 24.614 -0.993 -10.187 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 24.694 -2.423 -9.717 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.467 -17.955 -20.573 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -18.287 -17.465 -20.573 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.257 -18.055 -19.643 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -2.955 19.516 -23.929 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -2.605 18.626 -23.949 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -3.815 19.426 -23.519 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -16.440 -16.854 5.761 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -15.600 -17.114 5.381 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -16.250 -16.044 6.241 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 -20.833 -15.753 -23.591 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 -20.043 -16.023 -23.111 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 -20.593 -15.863 -24.511 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 18.855 -23.885 1.985 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 19.165 -23.355 2.715 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 19.375 -24.685 2.035 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 -2.776 -22.559 4.285 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 -1.936 -22.929 4.565 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 -3.416 -23.219 4.545 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 -0.808 4.173 -7.241 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 -1.018 3.413 -7.771 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 0.142 4.283 -7.331 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -22.475 -3.384 -3.071 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -23.245 -3.734 -2.631 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -21.755 -3.934 -2.751 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 -21.283 1.697 -17.683 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 -20.603 1.957 -18.303 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 -21.633 0.877 -18.033 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 -14.547 9.085 8.408 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 -15.177 9.455 7.778 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 -13.687 9.275 8.028 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 0.625 17.006 17.493 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 -0.025 17.296 18.133 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 0.385 16.106 17.293 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.343 -11.075 17.657 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 1.923 -10.345 17.427 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 0.583 -10.955 17.087 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -14.240 8.995 20.221 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -14.770 8.795 19.451 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -13.810 8.175 20.441 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -23.445 10.024 8.749 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -23.325 9.194 8.289 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -24.025 10.534 8.179 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 12.809 11.162 13.263 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 12.159 11.842 13.443 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 13.569 11.632 12.923 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 5.937 22.175 23.179 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 5.947 22.765 23.929 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 5.387 22.615 22.539 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 23.933 25.077 13.651 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 23.143 25.397 13.221 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 23.703 25.067 14.581 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 4.131 -22.155 -9.643 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 3.871 -21.855 -8.773 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 5.061 -21.945 -9.703 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 -20.543 12.461 20.941 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 -20.163 12.261 20.081 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 -20.473 11.631 21.431 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 19.904 -22.118 -0.557 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 19.414 -22.808 -0.117 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 19.824 -21.368 0.033 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -2.548 12.126 7.999 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -2.548 12.376 8.919 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -3.268 11.496 7.919 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 -5.924 -11.575 -24.567 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 -5.524 -11.285 -25.387 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 -5.214 -11.995 -24.087 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 -8.598 -4.816 -1.872 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 -9.128 -4.086 -2.202 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 -8.648 -5.476 -2.562 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 8.214 -14.286 23.463 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 8.964 -14.776 23.123 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 8.564 -13.826 24.223 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 11.922 14.102 1.093 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 12.202 14.952 1.403 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 11.992 13.522 1.853 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 20.173 -20.157 10.483 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 20.653 -20.587 11.183 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 20.243 -20.757 9.743 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 17.356 -8.304 -13.387 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 16.576 -7.944 -12.967 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 17.136 -9.224 -13.547 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 -18.375 5.645 -20.163 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 -18.955 5.575 -19.403 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 -18.945 5.965 -20.863 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.251 -14.954 6.845 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -22.771 -14.274 7.265 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -22.111 -15.604 7.525 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 -19.319 -22.621 -6.536 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 -19.549 -22.001 -5.836 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 -19.789 -23.421 -6.316 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 12.431 2.236 7.933 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 13.001 1.516 7.643 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 11.611 1.806 8.183 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -6.468 18.802 17.501 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -6.648 18.942 16.571 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -7.288 18.472 17.861 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 12.906 -18.967 18.463 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 13.336 -19.537 17.823 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 13.576 -18.797 19.123 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 4.353 -25.009 -7.373 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 4.223 -25.309 -8.273 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 4.943 -24.259 -7.453 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 6.480 -16.198 -23.675 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 7.150 -15.948 -24.315 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 6.270 -17.108 -23.895 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 -2.949 23.207 -11.259 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 -3.119 24.147 -11.219 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 -3.579 22.877 -11.909 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 -21.635 -21.063 13.335 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 -20.845 -20.543 13.475 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 -21.735 -21.563 14.145 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 19.234 -4.728 -10.619 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 18.794 -4.028 -10.149 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 19.854 -4.278 -11.199 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 5.515 -13.926 -4.696 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 6.445 -13.896 -4.896 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 5.435 -14.596 -4.016 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 20.399 11.513 2.531 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 20.769 12.393 2.601 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 21.049 10.943 2.931 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -18.214 -1.198 14.737 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -18.994 -1.698 14.517 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -17.504 -1.628 14.257 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -17.523 15.864 14.705 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -17.093 15.014 14.675 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -18.293 15.724 15.255 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 13.833 17.524 -6.709 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 14.123 18.314 -6.239 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 14.273 17.574 -7.559 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 12.022 -4.597 -13.279 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 11.812 -4.917 -12.399 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 11.912 -5.367 -13.839 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 16.642 -16.698 16.701 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.982 -17.588 16.841 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 17.362 -16.238 16.271 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 25.044 0.525 8.405 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 25.244 1.165 9.085 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 24.754 -0.255 8.875 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 -18.957 -21.527 -2.707 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 -18.187 -21.807 -3.207 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 -18.987 -20.577 -2.827 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 14.672 -16.087 3.449 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 15.302 -15.417 3.689 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 14.762 -16.177 2.499 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -22.485 7.604 -12.913 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -21.685 8.044 -12.643 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -22.795 7.164 -12.123 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 16.624 -16.824 -21.171 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 16.614 -17.054 -20.241 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 17.224 -17.444 -21.571 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 12.697 -13.216 -7.607 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 13.227 -13.306 -8.407 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 12.377 -14.106 -7.447 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 18.585 9.667 3.871 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 18.295 10.137 4.651 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 19.295 10.197 3.521 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 16.312 -7.819 -24.013 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 15.822 -7.669 -23.203 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 16.432 -8.759 -24.063 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -17.034 21.647 -17.975 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -16.244 21.627 -18.525 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -17.534 20.877 -18.255 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 7.441 -15.307 -19.539 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 7.361 -15.227 -18.589 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 8.151 -15.937 -19.669 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 -12.277 18.674 20.233 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 -12.087 19.524 20.643 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 -12.187 18.834 19.293 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 12.450 -0.677 -4.379 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 11.620 -0.407 -4.779 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 12.390 -0.367 -3.479 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 14.106 7.506 -1.781 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 13.456 8.046 -1.331 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 14.076 7.816 -2.681 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -16.548 4.622 22.978 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -16.878 4.712 22.078 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -16.488 3.682 23.118 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 -18.959 5.546 19.939 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 -18.059 5.346 19.649 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 -19.439 5.706 19.129 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -20.541 1.772 10.721 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -20.471 0.972 10.201 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -19.641 2.052 10.851 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 13.724 22.832 17.347 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 14.244 23.502 16.907 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 14.134 22.002 17.097 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 24.436 -8.120 6.368 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 24.456 -7.300 5.868 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 23.606 -8.100 6.838 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -7.002 10.007 -9.929 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -6.101 10.137 -9.649 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -7.531 10.247 -9.169 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 7.183 0.694 20.033 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 8.003 0.264 19.763 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 7.453 1.434 20.563 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 -10.926 -9.818 0.775 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 -11.596 -10.218 1.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 -10.426 -9.268 1.385 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -15.525 7.996 -15.122 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -15.115 8.766 -14.722 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -16.465 8.186 -15.092 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 21.026 5.312 -2.271 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 20.166 5.152 -1.891 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 21.536 5.692 -1.551 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 21.647 6.956 2.611 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 20.757 6.596 2.591 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 21.697 7.396 3.461 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -20.995 23.711 2.325 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -21.685 23.541 1.685 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -20.185 23.651 1.825 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 -15.789 -15.917 24.554 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 -14.919 -15.937 24.154 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 -16.119 -15.037 24.364 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 10.965 -20.037 -10.071 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 10.705 -20.867 -9.671 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 10.275 -19.427 -9.811 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 24.954 0.174 -22.751 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 24.214 0.404 -22.191 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 25.724 0.424 -22.241 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 -18.010 -10.887 -14.763 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 -18.650 -11.537 -14.483 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 -18.520 -10.117 -14.993 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 -10.961 8.882 -17.891 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 -10.371 9.612 -17.671 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 -10.861 8.262 -17.161 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 6.789 21.965 -5.051 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 6.039 22.525 -4.831 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.549 22.425 -4.701 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 -14.626 16.432 -14.155 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 -14.396 15.782 -14.825 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 -13.826 16.522 -13.635 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 -13.321 6.623 11.169 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 -13.141 7.543 11.019 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 -12.791 6.403 11.939 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 7.734 8.305 8.553 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 8.404 7.755 8.153 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 7.944 9.195 8.263 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 2.459 4.553 1.887 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 2.889 4.993 1.157 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 3.119 3.943 2.227 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 13.433 12.280 3.435 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 14.073 11.850 4.005 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 13.663 13.210 3.475 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 -11.588 23.107 -1.677 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 -12.218 22.467 -1.337 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 -11.898 23.947 -1.347 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -18.515 -9.827 17.793 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -19.265 -10.277 18.193 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -18.415 -9.027 18.313 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.465 20.147 10.783 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 14.295 20.947 11.273 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 15.415 20.037 10.843 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 24.413 -9.966 14.693 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 25.223 -9.576 15.013 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 24.313 -9.626 13.803 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 15.667 -12.715 -14.635 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 15.977 -11.925 -14.205 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 15.557 -12.455 -15.555 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 22.887 -20.928 -15.253 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 22.827 -19.978 -15.383 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 22.597 -21.308 -16.083 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -16.617 -23.566 -3.925 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -16.697 -23.056 -4.725 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -15.667 -23.716 -3.825 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 -9.494 -15.374 9.601 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 -9.544 -16.324 9.491 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 -8.944 -15.084 8.871 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 19.514 -6.214 2.107 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 18.894 -5.504 2.247 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 19.794 -6.114 1.197 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 1.516 -24.537 11.671 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 0.846 -24.827 11.051 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 2.336 -24.877 11.321 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 -19.927 9.459 20.383 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 -20.117 10.029 19.643 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 -19.927 8.569 20.013 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 -16.639 7.706 -3.193 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 -16.489 8.496 -2.673 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 -17.269 7.196 -2.683 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -20.636 14.717 -8.211 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -21.006 15.577 -8.011 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -20.316 14.397 -7.371 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -5.557 23.625 4.571 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -4.917 24.295 4.331 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -5.077 22.805 4.491 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 21.615 -19.653 18.134 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 20.825 -20.193 18.004 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 21.935 -19.493 17.244 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 -8.728 -19.866 6.953 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 -9.028 -19.256 6.283 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 -8.778 -20.726 6.523 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 15.641 1.371 13.819 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 16.301 1.031 13.219 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 14.831 0.931 13.549 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 11.061 7.704 18.629 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 11.801 8.134 18.199 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 10.651 8.394 19.149 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 13.945 8.215 -9.242 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 14.755 8.675 -9.042 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 13.375 8.385 -8.492 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -5.894 7.240 4.014 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -5.924 8.120 3.634 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -5.344 6.740 3.404 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 22.452 4.402 -7.401 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 22.062 4.822 -6.641 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 22.752 3.552 -7.081 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 11.469 20.446 -15.387 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 11.609 21.156 -14.757 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 11.309 19.676 -14.837 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 18.142 -8.311 -4.927 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 18.492 -7.471 -5.217 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 17.912 -8.771 -5.737 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 -10.986 0.764 -1.219 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 -11.756 1.194 -1.599 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 -10.946 1.094 -0.319 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 14.842 13.916 -17.176 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 14.912 13.666 -18.096 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 14.292 14.706 -17.196 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -22.023 -19.620 19.639 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -22.443 -20.420 19.329 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -22.293 -18.950 18.999 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 -7.398 2.537 -8.262 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 -7.818 1.957 -7.622 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 -7.778 3.407 -8.082 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 21.525 18.155 1.983 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 21.195 18.915 1.513 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 20.925 18.055 2.723 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -13.687 13.340 9.759 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -14.527 12.980 10.019 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -13.687 13.310 8.809 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 7.912 19.937 -6.381 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 7.402 20.007 -7.191 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 7.802 20.797 -5.961 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 -20.537 15.033 15.451 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 -20.947 15.793 15.031 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 -20.467 14.383 14.751 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -18.509 15.444 -20.181 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -19.199 15.334 -20.831 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -18.969 15.494 -19.341 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -5.356 -11.725 -3.931 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -4.806 -10.955 -3.851 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -5.356 -11.935 -4.871 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 -17.557 24.505 -21.503 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 -18.287 25.125 -21.433 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 -17.667 23.925 -20.753 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 14.783 -20.846 0.645 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 14.113 -20.186 0.845 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 14.293 -21.586 0.295 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -8.221 -6.199 18.398 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -9.101 -5.949 18.138 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -8.121 -5.859 19.278 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 4.945 19.776 25.111 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 5.335 20.246 25.851 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 5.385 20.116 24.341 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 6.662 4.423 18.843 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 7.342 5.093 18.813 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 6.512 4.193 17.923 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 -19.721 13.491 -0.657 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 -19.511 13.211 -1.557 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 -20.001 12.681 -0.227 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 6.452 7.240 -10.033 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 7.062 7.240 -10.773 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 6.872 6.700 -9.373 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 20.832 -9.886 13.716 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 21.672 -10.276 13.956 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 20.572 -10.346 12.926 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -20.616 -0.818 -19.613 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -20.276 0.082 -19.643 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -20.136 -1.278 -20.303 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 5.801 -1.300 -2.495 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 6.631 -1.120 -2.056 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 5.971 -2.090 -3.006 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 1.524 0.753 1.965 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 0.824 0.793 2.615 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 1.214 1.293 1.245 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 7.461 -15.956 21.274 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 6.551 -15.796 21.024 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 7.661 -15.266 21.904 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 -10.037 0.654 10.165 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 -9.277 0.774 9.605 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 -10.787 0.774 9.575 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 21.386 19.177 -14.559 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 21.566 18.287 -14.269 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 22.246 19.537 -14.759 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -8.507 -3.704 -22.895 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -7.887 -3.324 -23.525 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -8.597 -4.614 -23.165 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 3.022 13.645 14.411 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 3.512 13.715 15.231 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 2.242 14.175 14.551 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 19.796 -23.597 -19.561 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 20.146 -23.937 -20.391 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 18.846 -23.587 -19.691 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 -17.930 13.491 1.711 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 -17.900 12.551 1.871 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 -18.520 13.601 0.961 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -12.014 -0.141 -22.479 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -11.994 -1.061 -22.199 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -11.854 0.359 -21.679 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -4.623 1.981 -6.199 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -3.813 2.481 -6.339 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -5.193 2.251 -6.919 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 24.093 1.414 -6.505 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 24.213 1.634 -7.435 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 23.163 1.194 -6.435 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 15.552 11.077 5.369 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 15.102 10.267 5.179 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 16.212 10.837 6.019 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -24.053 -13.376 3.591 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -23.993 -12.486 3.941 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -24.993 -13.516 3.471 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -14.351 13.253 -19.841 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -14.611 13.883 -19.171 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -14.081 12.473 -19.351 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 9.945 15.092 -6.597 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 9.075 15.012 -6.197 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 10.515 14.562 -6.027 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 13.670 1.995 -11.329 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 13.820 1.595 -12.179 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 13.690 1.265 -10.709 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 23.014 -5.953 -22.349 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 23.494 -5.213 -21.979 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 23.214 -5.923 -23.289 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 15.272 2.533 9.181 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 15.292 3.153 8.461 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 16.162 2.173 9.211 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 -19.233 -14.645 7.884 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 -18.533 -15.115 7.434 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 -20.033 -15.035 7.544 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 14.385 -11.088 -7.809 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 13.585 -11.618 -7.789 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 14.875 -11.428 -8.549 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -10.755 8.833 -15.059 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -11.235 9.673 -15.059 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -11.385 8.203 -14.719 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 5.993 -3.876 17.661 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 5.713 -3.316 16.931 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 6.583 -4.516 17.251 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 2.755 2.524 17.075 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 1.825 2.334 17.195 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 2.915 3.294 17.615 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -1.337 13.405 10.595 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -1.767 12.725 11.125 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -0.477 13.035 10.405 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -12.146 -18.985 13.788 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -11.196 -19.005 13.808 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -12.366 -18.405 13.048 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -24.445 4.471 -7.767 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -24.035 5.341 -7.797 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -24.255 4.151 -6.887 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 16.235 -4.325 -2.721 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 15.605 -4.015 -3.371 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 16.105 -3.755 -1.971 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 -10.094 22.233 -9.961 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 -10.954 22.103 -10.361 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 -10.094 23.163 -9.711 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 -23.376 -21.655 -3.381 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 -24.316 -21.815 -3.471 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 -22.986 -22.535 -3.381 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -14.125 -21.010 5.165 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -13.655 -21.840 5.095 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -14.335 -20.930 6.095 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -22.534 -7.188 -12.729 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -23.434 -7.398 -12.959 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -22.274 -7.868 -12.109 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 10.681 22.183 19.471 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 11.051 22.293 18.591 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 11.001 22.953 19.961 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 1.934 21.276 -9.971 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 2.864 21.356 -10.181 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 1.614 22.176 -9.941 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 2.204 -9.048 -22.107 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 3.164 -9.018 -22.167 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 2.014 -8.768 -21.217 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 23.752 18.888 18.891 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 23.962 17.948 18.891 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 22.832 18.918 19.141 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 19.874 8.606 13.655 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 19.484 8.256 14.455 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 20.464 7.916 13.355 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 -17.785 -14.358 10.178 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 -18.445 -14.178 10.848 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 -18.295 -14.468 9.368 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 5.805 19.336 11.433 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 6.655 19.536 11.043 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 5.975 18.586 12.003 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 -11.799 -15.364 24.385 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 -11.279 -14.874 23.755 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 -11.729 -14.864 25.195 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -20.958 -23.809 12.515 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -20.458 -23.449 11.785 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -21.218 -23.049 13.035 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 -6.179 18.996 -7.673 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 -5.889 19.866 -7.403 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 -6.869 19.176 -8.323 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 -10.187 4.439 13.801 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 -9.887 5.029 14.501 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 -10.757 4.979 13.261 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 21.965 -3.727 -12.129 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 22.865 -4.017 -12.009 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 21.995 -2.777 -12.009 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 15.474 14.864 -9.123 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 15.844 14.074 -8.753 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 15.764 15.564 -8.543 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 14.525 3.641 16.548 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 13.615 3.521 16.278 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 14.475 4.021 17.418 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 20.093 -19.307 -8.639 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 20.943 -19.617 -8.329 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 19.633 -19.037 -7.839 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 8.074 20.717 10.255 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 8.824 20.527 9.695 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 8.164 21.657 10.455 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -1.076 -22.757 -0.403 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -1.566 -22.407 -1.153 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -0.956 -22.007 0.177 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 19.264 3.683 17.988 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 18.534 3.063 18.008 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 19.174 4.143 17.158 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -24.799 -24.985 -22.662 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -24.239 -25.255 -21.942 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -24.209 -24.915 -23.412 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 -7.887 17.185 -7.149 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 -7.157 17.785 -7.009 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 -7.657 16.405 -6.649 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -11.526 -7.535 22.037 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -10.796 -7.885 22.547 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -12.296 -7.715 22.577 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 -12.268 -2.928 7.039 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 -12.368 -3.338 7.899 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 -12.118 -1.998 7.239 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -17.839 15.604 -5.149 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -17.739 16.374 -5.719 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -18.349 15.924 -4.409 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 4.360 -14.008 8.697 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 4.680 -13.168 9.027 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 4.950 -14.658 9.087 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 4.363 10.454 -23.053 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 4.793 10.674 -23.883 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 4.593 9.534 -22.913 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -9.877 -19.699 -12.931 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -8.947 -19.919 -12.921 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -10.307 -20.529 -13.131 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -6.583 -11.887 4.318 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -5.823 -12.347 3.958 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -7.253 -12.567 4.398 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -16.796 13.055 11.595 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -17.716 13.025 11.365 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 -16.776 12.975 12.555 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 22.725 14.894 14.821 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 23.405 15.384 14.361 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 23.075 14.004 14.891 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 -13.507 13.365 12.559 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 -13.067 14.215 12.499 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 -13.657 13.115 11.649 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 -18.845 1.301 -19.186 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 -18.065 0.741 -19.136 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 -18.595 2.101 -18.736 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 6.005 -5.745 6.273 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 5.415 -5.245 6.833 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 6.885 -5.535 6.603 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 -25.060 9.687 -12.495 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 -25.000 9.397 -13.405 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 -24.670 8.977 -11.995 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 2.966 5.562 -18.036 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 2.296 5.882 -18.636 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.786 5.662 -18.516 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -3.584 -0.554 -8.445 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -4.124 -0.034 -9.035 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -2.694 -0.474 -8.785 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 -13.155 24.734 -16.007 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 -12.705 24.854 -16.837 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 -12.995 23.814 -15.787 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 10.306 18.703 -5.803 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 10.516 17.993 -6.413 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 9.656 19.223 -6.263 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 10.484 24.688 16.907 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 10.954 24.918 16.107 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 11.174 24.498 17.547 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 -7.045 -24.657 20.607 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 -7.455 -25.497 20.807 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 -6.175 -24.717 20.997 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 18.070 -1.304 22.231 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 18.520 -1.914 21.641 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 17.620 -0.694 21.641 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 0.107 -24.525 5.231 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 0.017 -24.595 6.181 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 0.477 -23.655 5.091 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 2.865 -1.183 -8.343 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 2.785 -0.263 -8.563 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 3.405 -1.553 -9.043 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 -14.614 2.357 -12.779 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 -15.004 3.037 -13.329 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 -13.734 2.677 -12.589 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -0.751 -9.068 6.061 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -0.071 -8.398 6.121 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -0.761 -9.308 5.131 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -15.721 11.313 -21.635 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -14.961 11.703 -21.195 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -16.471 11.643 -21.145 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 -5.007 -18.617 -1.795 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 -4.917 -19.567 -1.705 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 -5.957 -18.467 -1.795 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 -22.289 -3.519 11.492 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 -22.139 -4.469 11.462 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 -22.299 -3.239 10.582 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 17.829 6.454 -15.188 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 17.139 6.984 -14.798 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 18.239 7.034 -15.838 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 15.122 15.413 -19.619 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 15.662 15.343 -20.409 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 15.722 15.723 -18.939 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -22.424 23.383 -18.027 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -22.554 24.213 -17.557 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -21.924 23.623 -18.807 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -21.314 1.962 7.763 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -21.584 2.142 8.663 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -20.364 1.902 7.813 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 -19.256 18.505 -7.957 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 -20.086 18.135 -7.647 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -19.486 19.375 -8.267 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 10.675 4.056 -13.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 11.225 4.176 -14.211 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 11.195 3.476 -12.871 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 5.483 7.594 22.425 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 5.093 6.734 22.555 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 5.973 7.524 21.605 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 -11.357 -18.815 -18.663 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 -11.357 -19.775 -18.733 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 -12.187 -18.555 -19.073 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 -24.577 -17.092 12.137 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 -24.137 -17.422 12.917 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 -25.357 -17.642 12.057 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -20.737 -20.195 1.967 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -20.937 -19.265 2.057 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -19.807 -20.255 2.197 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -15.921 16.563 -20.106 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -16.221 17.083 -19.366 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -16.651 15.983 -20.306 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -10.665 -12.719 -1.199 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -11.595 -12.809 -0.989 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -10.565 -11.789 -1.439 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 15.561 20.102 7.155 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 16.401 20.532 6.985 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 15.351 19.652 6.345 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -19.336 4.366 2.364 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -18.836 3.606 2.664 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -20.066 4.426 2.984 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -16.204 6.272 -23.429 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -15.394 5.952 -23.819 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -16.394 7.082 -23.879 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 16.862 -20.815 -10.601 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 17.312 -21.295 -9.901 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 15.982 -21.205 -10.621 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 -20.375 -24.978 20.631 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 -19.625 -24.848 21.221 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 -20.455 -25.928 20.541 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -2.134 -23.337 -6.057 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -1.684 -24.137 -6.307 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -1.494 -22.847 -5.537 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -20.060 21.923 -13.165 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -19.490 22.493 -12.645 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -20.140 21.133 -12.635 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 -11.225 -4.884 -11.587 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 -11.415 -4.574 -10.707 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 -10.355 -5.274 -11.527 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -20.583 22.466 -8.322 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -20.853 21.706 -8.842 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -21.123 23.186 -8.662 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 -20.569 -2.674 6.357 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 -21.099 -3.224 5.767 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 -19.729 -2.584 5.907 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 23.822 12.968 -8.627 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 24.672 12.628 -8.927 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 24.042 13.588 -7.937 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 -15.508 15.870 -10.785 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 -16.198 16.300 -11.285 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 -14.868 16.560 -10.615 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 14.273 20.826 -21.356 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 14.223 20.936 -22.306 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 15.103 20.366 -21.206 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 2.917 21.215 -15.857 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 2.477 22.055 -15.957 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 3.507 21.155 -16.617 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 -17.566 2.036 21.683 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 -17.786 1.946 20.753 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 -18.416 2.026 22.133 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -17.004 -6.596 -7.909 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -17.094 -6.816 -8.829 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -17.604 -5.856 -7.779 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 7.454 -10.214 10.941 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 6.504 -10.094 10.891 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 7.584 -11.144 10.731 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 2.203 -20.598 -8.043 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 1.383 -20.118 -8.153 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 2.003 -21.268 -7.373 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -15.498 15.065 -8.137 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -15.648 15.985 -7.907 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -15.638 15.015 -9.077 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 -5.049 22.484 -2.371 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 -4.759 22.424 -1.461 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 -4.669 23.304 -2.691 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 20.243 20.372 6.981 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 21.023 20.932 6.981 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 20.533 19.552 7.371 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 6.580 21.317 -11.063 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 5.710 21.527 -11.423 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 7.000 20.787 -11.743 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 0.987 25.065 -1.009 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 0.897 24.715 -1.889 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 0.087 25.265 -0.739 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 -6.215 -19.925 20.247 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 -5.755 -19.095 20.117 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 -6.595 -20.125 19.387 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 17.624 18.373 0.133 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 16.854 17.853 -0.087 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 18.244 18.193 -0.567 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 21.044 23.936 14.823 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 21.784 23.356 14.993 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 20.334 23.356 14.553 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 20.431 -20.720 2.375 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 20.811 -19.840 2.385 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 19.511 -20.590 2.575 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 11.593 24.799 -10.255 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 11.483 23.969 -10.725 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 11.383 25.469 -10.905 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 20.424 -11.094 -7.157 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 20.524 -11.994 -7.447 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 20.784 -10.574 -7.877 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 21.863 -6.876 -3.783 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 21.473 -7.336 -3.043 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 21.163 -6.316 -4.113 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -8.526 19.203 13.201 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -9.236 19.333 13.831 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -7.926 19.933 13.361 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 -20.773 -0.113 4.223 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 -21.413 -0.463 4.843 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 -19.973 -0.593 4.413 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -6.764 -7.097 -13.791 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -6.874 -8.017 -14.021 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -6.814 -6.627 -14.621 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 -23.496 0.663 18.387 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 -23.206 0.803 17.487 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 -22.946 -0.037 18.717 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 23.375 -4.284 -3.051 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 22.475 -4.044 -3.271 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 23.905 -3.844 -3.711 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 -19.684 -3.966 22.113 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 -19.954 -3.666 22.983 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 -19.034 -3.326 21.823 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -10.633 -15.405 -18.503 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -10.583 -15.445 -19.463 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -11.473 -15.815 -18.293 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 -6.546 -15.849 -19.845 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 -6.966 -14.999 -19.995 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 -7.046 -16.249 -19.135 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 9.000 -18.887 -9.019 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 8.690 -19.667 -8.569 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 8.370 -18.757 -9.729 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 -12.336 -11.183 4.375 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 -12.716 -10.513 3.804 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 -11.676 -11.613 3.834 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 -19.845 18.785 -4.319 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 -19.325 19.545 -4.589 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 -20.725 19.135 -4.189 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -3.469 -10.888 0.418 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.159 -11.398 1.178 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -3.239 -11.428 -0.332 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -19.535 -18.653 15.581 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -19.135 -19.393 16.061 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -19.775 -18.033 16.271 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 6.419 -9.737 -2.403 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 6.029 -10.267 -3.103 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 5.859 -8.967 -2.343 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 20.584 -16.306 18.093 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 20.244 -15.476 17.753 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 21.364 -16.476 17.553 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 -11.445 7.765 2.298 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 -10.995 7.945 1.468 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 -12.145 7.155 2.058 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 12.511 -17.326 -3.097 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 13.331 -17.716 -2.807 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 12.781 -16.516 -3.547 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 19.076 -11.926 16.849 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 18.786 -11.066 16.529 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 19.736 -11.726 17.509 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 19.833 -1.590 -12.257 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 19.213 -1.360 -12.947 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 20.313 -2.350 -12.607 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -4.213 -22.880 -4.136 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -4.773 -23.360 -4.756 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -3.323 -23.140 -4.375 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 1.142 12.405 -19.939 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 0.402 12.105 -19.409 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 1.392 11.645 -20.459 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 -3.580 -22.015 11.839 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 -2.650 -21.805 11.709 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 -3.750 -22.735 11.239 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 22.166 21.412 -2.253 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 22.756 20.772 -2.653 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 22.416 22.252 -2.633 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -22.856 -17.118 -8.272 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -23.286 -17.448 -9.052 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -23.406 -17.408 -7.552 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 19.493 2.830 -4.105 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 18.683 2.460 -3.765 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 20.113 2.100 -4.115 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 4.075 4.345 12.067 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 3.255 4.825 12.237 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 4.765 4.985 12.207 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -19.419 16.353 24.617 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -18.559 16.353 25.037 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -19.899 17.063 25.057 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 8.362 -18.746 21.819 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 7.952 -17.876 21.859 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 7.622 -19.356 21.749 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -5.878 -19.619 7.367 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -6.818 -19.559 7.197 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -5.618 -18.739 7.627 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 16.725 -8.563 22.153 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 16.655 -9.273 22.793 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 16.885 -9.003 21.323 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 -22.957 -14.104 -24.625 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 -22.577 -14.124 -25.505 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 -22.347 -14.614 -24.095 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 -21.166 3.923 -1.831 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 -21.406 4.803 -2.101 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 -21.366 3.373 -2.591 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 14.525 -7.823 -6.657 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 14.865 -7.483 -5.827 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 15.235 -8.353 -7.017 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 11.647 2.026 -2.929 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 11.517 2.726 -2.289 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 11.567 2.456 -3.779 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -12.214 12.873 18.657 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -11.594 13.393 19.157 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -12.654 13.503 18.087 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 10.975 -13.928 19.975 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 10.965 -13.518 19.115 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 11.755 -14.488 19.955 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 20.795 -18.045 22.285 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 21.285 -17.795 23.075 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 21.475 -18.275 21.655 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 2.815 -8.516 7.748 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 3.085 -7.766 8.268 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 2.175 -8.976 8.288 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 17.930 -13.686 -1.406 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 17.270 -13.046 -1.136 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 17.780 -13.796 -2.346 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 14.412 -8.298 -1.697 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 14.152 -7.868 -0.887 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 15.352 -8.458 -1.597 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -9.655 16.067 14.388 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -9.925 15.947 13.478 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -9.495 15.177 14.708 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 0.604 0.154 14.953 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 0.784 -0.776 14.893 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -0.346 0.214 14.973 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 -11.428 -23.044 13.937 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 -11.308 -23.604 14.717 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 -11.298 -22.154 14.267 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -10.266 -22.320 3.503 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -9.576 -21.660 3.523 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -10.186 -22.770 4.343 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -1.854 6.092 10.845 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -1.174 6.752 10.745 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -2.664 6.592 10.915 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 7.672 -24.515 19.017 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 7.582 -23.595 18.757 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 6.872 -24.715 19.487 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 -20.368 -17.427 2.129 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 -19.468 -17.247 2.409 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 -20.328 -17.457 1.179 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 -10.218 1.902 23.374 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 -10.468 2.312 22.544 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 -9.988 2.642 23.944 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 14.026 16.816 -10.913 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 13.326 16.636 -11.543 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 14.826 16.796 -11.443 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 9.044 24.683 11.977 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 8.734 24.333 11.137 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 8.704 25.573 12.007 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -20.967 -5.727 9.591 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -21.307 -6.487 10.061 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -20.407 -5.277 10.221 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 -23.237 -14.836 -12.762 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 -24.077 -14.876 -13.222 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 -22.667 -15.426 -13.252 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -1.517 4.474 -19.875 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -1.797 4.894 -20.685 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -2.337 4.294 -19.405 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 23.875 -2.356 20.687 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 24.395 -1.796 21.257 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 23.855 -3.206 21.127 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 11.667 2.344 23.793 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 10.877 2.474 24.323 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 11.367 1.844 23.033 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 6.696 3.245 -24.399 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 6.246 2.435 -24.669 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 7.266 2.965 -23.689 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 6.169 23.694 9.199 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 6.479 22.814 8.999 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 6.929 24.254 9.059 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 -20.257 1.757 14.329 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 -19.397 1.347 14.229 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 -20.057 2.677 14.509 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 -3.944 -1.360 -5.947 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 -4.524 -0.610 -5.827 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 -3.544 -1.230 -6.807 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 -15.146 13.464 0.144 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 -16.066 13.304 0.344 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 -14.676 13.134 0.914 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -16.054 -12.246 -1.765 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -15.804 -13.106 -2.105 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -16.584 -12.436 -0.985 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 -7.976 12.267 11.255 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 -7.226 12.257 10.655 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 -8.526 12.997 10.945 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -15.875 6.276 -18.761 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -16.645 6.476 -19.291 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -15.135 6.556 -19.291 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -19.144 -3.666 10.641 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -18.324 -3.706 11.131 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -19.074 -2.866 10.121 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -21.775 17.807 2.913 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -20.885 17.447 2.933 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -22.215 17.307 2.223 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 4.203 2.902 14.593 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 3.613 3.142 13.883 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 3.633 2.622 15.303 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 3.597 12.526 -14.937 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.697 12.706 -15.217 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 4.117 13.216 -15.357 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 13.467 -12.007 -18.709 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 12.917 -12.567 -18.169 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 12.897 -11.277 -18.959 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 3.719 -20.928 1.283 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 4.579 -21.148 1.633 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 3.329 -21.768 1.053 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 -18.846 10.285 -15.537 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 -18.456 10.985 -16.057 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 -18.236 10.165 -14.797 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -10.324 13.304 10.267 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -11.154 12.834 10.317 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -10.054 13.214 9.347 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -22.617 -10.667 -13.301 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -21.737 -10.847 -12.961 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -23.087 -10.307 -12.551 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 13.836 14.899 3.167 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 14.646 15.119 2.707 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 13.216 15.589 2.907 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -25.007 -0.237 22.055 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -25.007 -0.087 21.105 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -24.827 0.623 22.435 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 -2.547 -8.955 -20.659 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 -2.797 -8.555 -21.489 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 -3.317 -9.455 -20.389 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -17.885 18.844 5.251 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -18.325 18.004 5.281 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -17.335 18.844 6.041 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -7.687 21.367 18.115 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -7.127 22.137 18.205 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -7.087 20.627 18.225 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 -13.455 -21.327 -5.706 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 -13.695 -21.157 -4.786 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 -12.915 -22.117 -5.666 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -9.534 19.506 21.771 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -10.044 18.696 21.851 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -8.624 19.216 21.851 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 13.043 20.333 -4.851 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 12.173 19.963 -4.661 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 13.643 19.813 -4.311 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 1.866 -12.595 13.497 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 1.406 -11.755 13.397 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 2.066 -12.855 12.597 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 13.262 6.575 11.121 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 13.222 6.535 12.081 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 13.172 5.665 10.851 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -9.494 -23.646 -7.212 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -10.184 -23.056 -7.502 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -9.964 -24.436 -6.922 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.696 13.606 -21.612 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 21.816 12.736 -21.232 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.966 14.216 -20.932 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 -19.800 -23.184 0.131 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 -18.990 -23.524 0.521 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 -19.950 -23.734 -0.629 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -12.325 10.333 7.433 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -11.425 10.523 7.173 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -12.855 10.883 6.863 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 -24.041 2.147 -2.222 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 -24.051 1.547 -1.472 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 -24.681 1.787 -2.822 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 4.673 18.317 -10.929 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 4.323 18.677 -11.749 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 4.283 17.447 -10.859 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 4.837 -22.260 -18.249 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 5.197 -21.370 -18.349 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 5.547 -22.840 -18.489 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 7.641 -24.548 -5.427 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 7.321 -23.938 -4.767 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 8.301 -25.068 -4.977 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 -10.015 -24.109 20.503 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 -10.085 -23.729 21.373 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 -9.075 -24.289 20.393 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 21.114 0.765 -4.821 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 21.604 0.725 -4.001 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 21.034 -0.145 -5.091 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -14.088 22.331 -15.291 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -13.988 22.441 -14.351 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -15.038 22.321 -15.431 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.846 17.442 -4.759 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.686 18.172 -4.169 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.376 17.812 -5.469 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 -13.938 -12.915 -24.509 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 -14.608 -12.525 -23.949 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 -14.328 -12.915 -25.379 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 18.614 11.367 0.015 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 19.144 11.157 0.785 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 17.774 11.657 0.365 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 3.133 -0.876 12.594 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 2.383 -1.096 12.034 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 3.243 0.074 12.474 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -21.936 12.967 9.909 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -22.686 12.467 10.239 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 -21.176 12.467 10.189 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -16.585 13.264 22.987 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -16.215 13.004 23.827 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -17.435 13.654 23.207 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 21.205 17.902 -21.873 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 21.985 17.732 -21.333 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 21.045 17.072 -22.323 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 22.512 16.285 25.191 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 23.302 16.285 25.741 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 22.832 16.085 24.311 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 6.524 -23.144 -3.261 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 5.924 -23.864 -3.051 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 7.054 -23.024 -2.471 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 -23.897 19.942 -2.083 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 -24.157 19.022 -2.043 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 -23.767 20.202 -1.173 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 4.966 11.161 11.277 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 5.856 11.291 11.607 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 4.846 11.871 10.637 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 13.183 -23.986 -18.095 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 12.593 -23.996 -17.335 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 12.723 -24.486 -18.765 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 -15.606 -17.064 21.193 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 -14.816 -16.814 21.673 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 -15.286 -17.634 20.493 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -24.049 18.738 4.541 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -24.639 18.648 3.781 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -23.179 18.538 4.201 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 -22.696 5.054 19.653 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 -23.636 4.874 19.613 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 -22.416 4.694 20.493 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 3.994 16.307 17.005 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 4.334 16.177 16.125 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 4.244 17.207 17.235 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -22.528 -5.174 5.185 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -23.048 -5.774 4.645 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -21.868 -4.824 4.585 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -2.075 -10.669 3.921 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -3.015 -10.589 4.051 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -1.955 -11.559 3.581 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -1.817 -25.233 -2.449 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -1.287 -25.813 -2.999 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -1.217 -24.533 -2.189 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 -19.094 24.719 10.615 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 -18.414 24.499 9.975 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 -19.894 24.819 10.095 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 0.649 20.445 21.257 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 -0.151 19.925 21.237 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 1.349 19.795 21.237 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -21.273 15.404 -13.830 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -20.413 14.984 -13.830 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -21.763 14.964 -13.140 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 13.981 13.087 -0.613 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 14.101 12.577 -1.413 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 13.171 12.747 -0.233 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 -22.004 20.315 -14.547 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 -21.894 20.535 -15.477 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 -21.394 20.885 -14.087 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 -7.545 -21.477 10.279 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 -7.845 -22.387 10.219 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 -7.425 -21.197 9.369 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 1.595 -6.367 -20.066 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 0.755 -5.947 -19.906 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 2.215 -5.647 -20.146 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 -13.017 4.934 -11.153 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 -13.747 5.304 -10.663 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 -12.237 5.364 -10.783 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 -8.283 23.105 20.905 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 -7.493 22.575 21.005 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 -8.583 22.905 20.015 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 15.710 -17.329 9.477 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 15.880 -17.899 8.727 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 15.260 -16.579 9.107 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 -18.918 -24.515 17.421 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 -19.128 -24.685 16.501 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 -19.668 -24.865 17.901 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -14.276 -15.737 -7.306 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -14.496 -14.807 -7.286 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -15.046 -16.167 -6.935 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 -15.805 24.724 19.121 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 -16.445 24.074 18.831 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 -15.395 25.044 18.321 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 2.503 7.143 5.619 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 2.353 7.133 6.559 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 3.383 7.533 5.529 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -23.536 19.336 25.115 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -23.696 20.156 24.655 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -24.406 18.936 25.195 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 2.544 3.115 -21.347 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 2.694 3.915 -20.847 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 2.684 2.405 -20.727 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 0.513 -12.414 8.655 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 0.993 -12.714 9.425 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 0.953 -12.854 7.915 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 12.095 -3.816 24.345 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 12.855 -4.236 23.955 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 12.155 -4.016 25.275 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 20.321 -5.396 -5.709 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 20.481 -6.006 -6.429 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 19.381 -5.226 -5.749 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -17.149 19.747 23.421 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -17.009 18.937 22.931 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -17.639 19.467 24.191 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 18.921 -0.068 -15.039 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 18.361 0.442 -15.619 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 19.511 0.582 -14.649 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 14.743 4.113 -10.221 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 14.153 4.443 -9.551 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 14.203 3.523 -10.751 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 19.913 24.704 -17.399 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 20.663 24.114 -17.429 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 20.283 25.554 -17.149 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 24.066 -0.048 5.865 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 24.676 0.102 6.585 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 23.946 0.812 5.465 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -13.416 -2.207 -3.543 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -13.286 -1.817 -2.673 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -12.536 -2.487 -3.803 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 8.282 12.004 23.621 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 8.812 12.474 22.981 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 8.102 11.154 23.211 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 12.832 -8.467 -9.259 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 13.442 -8.977 -8.719 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 12.962 -8.797 -10.149 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -11.647 18.975 -22.152 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -11.697 18.285 -21.492 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -12.527 18.995 -22.532 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 -22.755 7.566 -15.716 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 -22.895 6.616 -15.766 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 -22.545 7.726 -14.806 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 5.953 24.702 5.319 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 5.273 24.272 5.829 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 6.013 25.582 5.689 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.454 16.084 14.783 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.494 15.654 13.923 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 6.174 16.714 14.763 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 9.034 22.477 -14.237 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 9.294 21.897 -14.947 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 8.074 22.507 -14.297 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 -20.691 -12.616 -17.401 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 -20.181 -13.066 -18.081 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 -20.261 -12.856 -16.581 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 -16.486 19.296 19.247 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 -16.916 18.446 19.167 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 -15.726 19.236 18.667 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -12.107 22.473 -7.977 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -12.097 22.673 -7.047 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -13.027 22.263 -8.167 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -15.536 -7.696 18.293 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -14.666 -7.636 18.683 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -15.506 -7.086 17.553 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -25.220 2.253 -9.478 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -24.380 2.713 -9.538 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -24.970 1.333 -9.388 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 14.086 2.222 -15.525 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 14.066 3.022 -15.005 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 13.226 1.822 -15.365 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -3.908 -15.144 -12.565 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -4.758 -14.754 -12.745 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -3.288 -14.414 -12.595 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 -15.156 9.135 -11.715 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 -16.046 9.485 -11.765 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 -14.706 9.495 -12.475 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 17.459 -1.009 4.709 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 16.539 -1.239 4.689 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 17.899 -1.719 4.229 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 3.825 23.313 14.917 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 4.355 22.703 14.397 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 3.405 22.763 15.577 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -23.319 13.611 22.259 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -23.269 14.421 22.769 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -22.469 13.551 21.809 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 10.393 -16.693 -23.487 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 11.143 -16.123 -23.317 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 9.643 -16.193 -23.187 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -10.401 3.245 -18.323 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -9.711 3.835 -18.003 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -10.381 2.515 -17.713 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 1.620 -1.277 25.339 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.300 -1.227 24.439 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 2.570 -1.337 25.249 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 9.925 5.224 -1.251 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 9.275 4.944 -0.611 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 10.755 4.914 -0.901 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 14.379 -7.276 22.557 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 14.829 -8.066 22.267 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 14.499 -6.646 21.847 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 16.826 23.111 -16.626 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 16.826 23.361 -17.556 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 17.726 23.251 -16.346 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -7.765 -5.267 6.597 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -7.925 -6.207 6.527 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -7.555 -5.127 7.517 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -18.358 13.883 17.833 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -18.898 14.673 17.923 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -17.528 14.123 18.253 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 6.643 -23.209 -0.201 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 6.973 -24.099 -0.291 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 5.703 -23.309 -0.071 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 13.045 15.083 -21.716 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 13.795 15.283 -22.286 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 13.375 15.213 -20.826 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 23.770 20.143 -19.735 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 22.840 20.353 -19.795 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 24.110 20.773 -19.095 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -10.388 4.154 -11.509 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -10.968 3.934 -12.229 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -10.068 5.034 -11.709 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -22.784 10.464 19.845 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -23.094 11.304 20.175 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -22.174 10.144 20.505 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -18.537 -10.385 -2.701 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -19.057 -9.685 -2.301 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -18.557 -11.095 -2.061 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 -15.797 -23.769 4.167 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 -15.987 -23.499 5.067 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 -15.327 -23.019 3.787 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 16.589 10.851 -8.451 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 16.779 11.241 -7.591 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 17.359 10.331 -8.651 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 -14.989 22.181 -19.349 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 -15.069 23.131 -19.369 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 -14.069 22.021 -19.149 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -2.510 -1.347 -2.319 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -2.220 -1.957 -1.639 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -3.450 -1.507 -2.399 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 17.181 14.283 15.519 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 17.781 14.513 16.229 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 17.761 14.053 14.789 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 -21.133 17.297 -10.613 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 -20.403 16.927 -11.113 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 -20.863 18.197 -10.433 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -18.443 12.654 4.957 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -19.083 12.314 5.587 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -18.893 13.374 4.527 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -12.495 -18.779 -12.786 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -11.615 -19.139 -12.646 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -12.335 -17.929 -13.206 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 9.551 18.215 2.513 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 9.521 18.795 3.263 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 9.051 18.665 1.833 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 16.473 -14.536 6.683 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 17.353 -14.196 6.833 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 16.453 -14.746 5.753 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 4.807 -9.256 13.431 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 4.617 -9.106 14.361 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 3.937 -9.316 13.021 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 24.339 0.168 1.988 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 23.649 0.598 1.468 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 25.119 0.208 1.428 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 11.184 24.996 4.888 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 10.454 24.456 5.218 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 10.994 25.876 5.218 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 17.793 1.794 -21.999 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 18.663 1.404 -22.069 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 17.613 1.814 -21.059 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 24.803 7.270 11.927 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 24.233 7.930 11.537 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 25.503 7.150 11.287 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 2.024 1.343 -4.831 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 2.754 0.803 -4.531 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 1.324 0.713 -5.031 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 8.823 -8.427 -4.509 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 9.553 -8.557 -3.899 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 8.043 -8.667 -3.999 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 -3.458 -24.484 6.151 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 -4.338 -24.104 6.131 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 -3.598 -25.434 6.131 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 -1.897 -18.516 -11.755 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 -2.057 -18.206 -12.645 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 -0.997 -18.256 -11.575 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 2.484 19.132 11.579 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 1.954 19.842 11.949 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 1.934 18.782 10.879 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 6.202 -10.014 0.715 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 6.522 -10.834 0.345 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 5.302 -9.924 0.385 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 -18.494 -21.406 2.974 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 -18.934 -22.246 2.824 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 -17.564 -21.616 3.004 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 12.870 24.361 -7.745 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 12.440 24.421 -8.595 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 13.110 23.441 -7.655 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 -0.147 6.759 -8.392 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 -0.737 7.339 -7.912 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 -0.337 5.879 -8.052 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -0.848 -19.915 -8.505 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -1.498 -19.415 -9.005 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -0.778 -19.455 -7.665 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 -3.291 11.334 -21.057 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 -3.921 11.684 -20.437 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 -2.831 10.644 -20.577 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 6.864 8.826 18.955 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 7.574 8.256 19.235 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 7.294 9.606 18.615 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -23.535 -17.456 -4.903 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -22.985 -16.806 -5.343 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -24.005 -17.896 -5.613 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -17.426 -1.280 24.255 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -16.496 -1.250 24.445 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -17.626 -0.420 23.905 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 4.613 5.355 -7.569 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 4.483 4.795 -6.809 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 5.563 5.385 -7.689 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 2.104 24.653 -13.067 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 1.924 24.373 -12.167 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 1.244 24.863 -13.427 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 18.214 18.961 22.977 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 17.314 18.651 22.927 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 18.324 19.231 23.897 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -23.931 18.864 -19.981 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -24.851 19.084 -20.151 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -23.931 17.924 -19.841 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -6.616 8.702 20.329 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -6.866 8.122 19.609 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -5.706 8.472 20.519 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -16.714 -7.558 23.337 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -17.244 -6.918 23.807 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -17.254 -7.808 22.587 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 13.663 22.017 -13.133 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 12.733 21.977 -12.933 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 13.703 22.217 -14.073 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 20.944 20.103 -8.477 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 21.714 19.963 -9.027 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 20.994 21.033 -8.237 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 2.737 -13.007 -22.159 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 2.987 -13.877 -21.839 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 3.317 -12.847 -22.899 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 10.973 8.384 -1.545 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 10.653 8.964 -2.245 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 10.363 7.644 -1.555 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 8.065 14.465 -4.457 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 8.295 15.385 -4.347 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 7.125 14.435 -4.267 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -22.608 16.164 1.073 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -23.528 16.324 0.873 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -22.148 16.334 0.243 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 16.005 -0.935 -14.495 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 16.315 -0.365 -13.785 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 16.495 -0.645 -15.265 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 13.704 -10.456 8.775 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 13.494 -9.766 9.405 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 12.884 -10.916 8.645 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 -3.357 -5.259 -10.632 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 -2.637 -4.899 -10.112 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 -3.977 -5.579 -9.982 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 24.337 4.338 20.217 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 23.907 4.548 19.387 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 23.887 4.888 20.867 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -18.131 -17.027 21.955 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -17.311 -17.517 22.045 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -18.811 -17.707 21.975 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 -12.395 16.015 19.269 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 -12.375 16.895 19.659 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 -13.015 16.085 18.549 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -24.988 7.814 19.869 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -24.968 7.384 20.729 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -24.708 8.714 20.059 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 21.254 8.557 -23.613 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 20.984 8.217 -22.763 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 21.774 7.857 -24.003 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 10.189 1.323 -13.609 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 9.839 2.153 -13.939 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 11.019 1.213 -14.079 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 5.026 -11.726 3.453 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 5.506 -12.266 4.083 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 5.636 -11.026 3.223 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 -13.765 6.364 -16.563 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 -14.325 6.654 -17.283 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 -14.095 6.834 -15.793 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 -12.248 9.084 -3.203 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 -12.748 8.894 -3.993 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 -12.888 9.064 -2.493 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 10.031 9.875 -6.997 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 10.591 9.855 -7.767 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 10.591 9.595 -6.267 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 17.495 -23.259 -0.909 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 16.865 -23.879 -1.269 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 18.135 -23.139 -1.609 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 17.302 6.513 24.938 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 16.412 6.823 25.088 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 17.202 5.743 24.368 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 -13.009 5.404 -22.047 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 -13.109 5.874 -21.227 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 -12.099 5.544 -22.297 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 0.481 10.925 0.114 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -0.369 11.015 -0.316 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 0.811 10.085 -0.186 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -17.623 20.206 -0.365 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -17.403 19.806 0.485 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -18.143 19.546 -0.815 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 13.923 -22.869 7.275 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 14.233 -21.989 7.495 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 13.843 -23.319 8.125 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -8.714 23.444 12.128 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -8.204 23.994 12.728 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -8.334 23.624 11.268 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 14.450 -22.185 10.103 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 13.890 -22.655 10.723 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 14.790 -21.445 10.603 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 -2.978 -1.377 -15.253 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 -3.108 -1.287 -16.203 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 -2.278 -0.757 -15.053 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 -16.038 17.458 -6.950 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 -16.018 17.458 -5.990 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 -16.848 17.908 -7.170 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 8.497 -2.436 5.041 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 8.037 -2.156 5.831 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 7.827 -2.846 4.491 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 -9.005 -8.066 10.133 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 -9.805 -8.316 9.663 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 -8.295 -8.416 9.603 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 -16.888 9.965 13.179 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 -16.188 10.445 12.729 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 -17.128 9.275 12.569 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 -2.793 4.322 -22.229 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 -2.613 3.422 -21.959 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 -3.623 4.262 -22.699 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 20.896 24.115 -2.501 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 20.316 24.745 -2.931 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 20.306 23.475 -2.101 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 20.453 18.963 18.087 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 20.773 19.863 18.087 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 19.533 19.043 18.347 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 19.830 -15.624 -23.393 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 20.730 -15.324 -23.503 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 19.510 -15.124 -22.643 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 16.996 -16.355 -24.461 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 16.556 -16.685 -23.681 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 17.826 -16.835 -24.491 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 9.496 -3.900 19.723 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 9.146 -4.080 18.853 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 9.996 -4.680 19.953 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 20.311 5.394 15.518 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 21.031 5.874 15.108 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 20.151 4.654 14.938 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 9.873 3.581 -4.819 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 9.923 3.761 -5.759 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 9.633 4.411 -4.419 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -8.865 -8.223 23.221 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -8.095 -8.693 23.551 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -8.545 -7.343 23.041 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -0.963 -10.206 -22.981 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -1.263 -9.586 -22.321 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -0.643 -9.666 -23.701 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 -24.744 -18.261 6.831 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 -24.534 -19.041 6.311 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 -24.634 -17.531 6.221 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 8.675 -21.157 -5.049 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 8.635 -21.967 -4.549 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 8.805 -20.477 -4.389 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 10.433 13.659 22.761 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 11.013 13.729 23.531 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 10.933 14.049 22.051 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 14.123 -10.017 0.819 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 15.023 -10.287 0.619 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 13.583 -10.717 0.469 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -8.406 20.032 -15.493 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -9.316 20.032 -15.783 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -7.976 20.682 -16.043 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 18.474 9.287 7.871 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 17.854 8.757 7.381 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 18.074 9.397 8.731 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -15.096 -11.828 21.305 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -15.066 -11.798 20.345 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -15.996 -11.598 21.525 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 12.193 -5.339 11.374 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 12.393 -6.249 11.154 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 13.053 -4.909 11.394 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 -8.104 20.657 -9.213 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 -8.784 21.077 -8.693 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 -7.764 21.357 -9.773 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 10.984 0.553 21.489 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 11.574 0.293 20.779 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 10.934 -0.217 22.049 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -5.835 -8.674 -3.311 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -6.165 -8.964 -4.161 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -6.595 -8.734 -2.731 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 16.120 -2.295 15.761 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 16.190 -1.685 15.021 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 17.000 -2.645 15.851 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 3.999 1.476 -8.567 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 4.939 1.656 -8.557 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 3.819 1.116 -7.707 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 -20.693 -6.435 -2.181 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 -21.483 -6.515 -1.651 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 -20.683 -7.235 -2.711 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 -6.359 12.154 8.845 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 -5.559 12.004 8.345 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 -7.049 12.184 8.175 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 -21.346 15.077 21.197 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 -21.616 15.557 20.407 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 -20.986 14.257 20.857 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 17.382 -18.932 11.070 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 18.102 -19.042 10.450 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 16.702 -18.472 10.580 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 19.783 15.847 -3.681 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 20.353 16.187 -4.381 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 19.353 15.087 -4.071 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 13.055 -5.830 -7.809 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 13.275 -5.670 -8.729 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 13.475 -6.670 -7.609 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 6.292 -23.369 8.657 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 6.482 -22.739 7.967 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 5.362 -23.249 8.837 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 4.290 -11.679 -10.127 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 4.350 -10.729 -10.197 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 5.170 -11.989 -10.307 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 -5.479 5.994 -5.152 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 -5.189 5.214 -5.622 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 -4.679 6.344 -4.762 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 13.575 0.155 -13.317 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 12.725 -0.265 -13.307 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 14.135 -0.425 -13.827 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 -1.934 2.704 -12.970 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 -2.134 3.634 -13.070 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 -2.794 2.294 -12.830 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 -22.357 7.714 -6.935 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 -22.197 8.214 -7.736 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 -23.307 7.714 -6.836 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -13.191 9.927 1.279 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -12.641 9.627 1.999 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -13.721 10.627 1.659 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 8.944 2.921 16.858 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 8.234 3.191 16.268 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 8.824 3.461 17.628 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -14.967 11.977 6.559 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -15.517 11.727 5.809 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -14.627 12.847 6.319 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 16.542 12.976 1.421 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 15.902 13.136 0.731 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 16.422 12.046 1.641 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -9.329 23.685 15.799 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -9.339 23.535 16.749 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -9.279 22.795 15.429 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 20.023 -9.417 17.164 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 20.553 -9.007 16.474 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 19.203 -8.917 17.164 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 -16.487 -23.038 17.221 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 -16.457 -23.468 18.071 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 -17.357 -23.248 16.881 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 17.499 -8.526 -7.659 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 18.079 -8.716 -8.399 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 17.419 -7.566 -7.659 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 13.815 21.841 -7.891 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 13.935 21.111 -7.281 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 13.915 21.451 -8.761 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 24.184 19.280 21.764 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 24.344 20.170 21.444 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 23.264 19.110 21.554 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 7.943 10.753 14.531 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 7.213 10.303 14.101 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 7.903 11.653 14.211 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 18.505 16.345 11.224 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 18.385 16.925 10.474 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 19.345 16.615 11.604 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 13.960 19.645 -9.599 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 13.780 19.295 -10.469 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 13.420 19.115 -9.009 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 22.612 4.823 17.753 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 22.482 5.513 17.103 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 22.212 4.043 17.363 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 0.167 -16.396 0.867 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 0.657 -15.636 0.547 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -0.553 -16.506 0.247 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 20.235 -9.077 -2.797 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 19.695 -8.897 -3.567 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 20.105 -10.007 -2.627 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 5.314 6.933 5.344 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 5.634 6.913 4.445 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 5.434 6.033 5.664 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -7.773 24.676 -15.177 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -7.543 25.156 -15.987 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -7.113 23.996 -15.117 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 -4.208 -21.789 -7.091 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 -3.478 -22.399 -7.111 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 -4.608 -21.919 -6.231 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -3.295 15.554 -15.773 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -2.545 16.084 -15.483 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -2.905 14.764 -16.133 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 -8.409 -14.605 4.993 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 -8.739 -14.045 5.703 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 -8.369 -15.475 5.383 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -21.885 -14.567 11.195 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -22.095 -14.027 11.955 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -22.425 -15.347 11.305 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 1.729 14.967 -18.833 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 1.079 15.367 -19.413 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 2.059 14.217 -19.323 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -18.558 25.245 14.534 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -17.988 24.985 13.814 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -19.438 24.975 14.264 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -9.657 5.969 5.218 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -8.987 6.469 5.668 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -9.957 5.329 5.858 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -11.885 10.285 -21.632 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -12.365 10.775 -22.302 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -11.305 9.705 -22.122 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 3.443 5.932 22.920 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 2.943 5.152 22.670 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 2.783 6.552 23.240 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 -11.523 -0.576 -5.782 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 -10.793 -1.076 -5.412 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 -11.123 0.204 -6.142 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 -19.345 -24.142 -18.411 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 -19.515 -23.602 -17.651 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 -18.435 -23.932 -18.661 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 13.604 25.074 -12.463 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 13.704 24.164 -12.163 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 13.804 25.034 -13.393 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 16.444 -21.609 -25.167 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 16.804 -20.749 -24.977 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 17.204 -22.149 -25.377 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 -0.395 -5.014 4.383 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 -0.635 -4.094 4.233 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 -0.985 -5.514 3.813 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 4.877 20.752 -1.691 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 4.067 20.832 -1.191 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 5.377 21.542 -1.471 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -4.260 16.263 21.275 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -5.090 16.023 21.685 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -3.610 16.213 21.985 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -8.680 17.645 7.137 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -8.310 18.445 7.487 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -9.300 17.345 7.797 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 -3.645 7.524 19.637 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 -3.345 8.104 18.947 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 -3.345 6.654 19.357 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -22.287 -4.633 -6.569 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -21.647 -5.343 -6.629 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -22.147 -4.113 -7.359 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 -24.693 -4.879 -5.188 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -23.813 -4.819 -5.558 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -25.233 -5.209 -5.908 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 -18.516 -6.447 -10.526 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 -18.246 -7.327 -10.796 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 -19.216 -6.597 -9.896 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 7.563 -0.366 -10.612 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 7.613 -0.826 -9.772 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 7.243 -1.016 -11.232 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 21.372 16.546 17.244 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 21.052 17.416 17.484 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 22.042 16.346 17.904 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 19.721 -15.387 -3.593 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 18.821 -15.627 -3.373 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 19.631 -14.597 -4.123 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 12.411 -15.865 -10.786 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 12.021 -15.465 -10.016 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 13.351 -15.715 -10.685 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 2.892 -0.044 -1.275 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 2.272 0.556 -1.685 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 2.552 -0.914 -1.465 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 -25.057 1.080 14.001 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 -24.247 1.550 14.191 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 -24.977 0.820 13.081 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 16.071 8.183 3.886 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 16.791 8.673 3.486 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 16.451 7.343 4.126 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 -11.597 -9.019 -5.707 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 -11.957 -9.889 -5.877 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 -10.847 -8.949 -6.297 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 -17.226 -6.496 -4.939 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 -16.286 -6.506 -5.129 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 -17.636 -6.376 -5.789 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 23.751 -14.324 2.531 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 22.981 -14.244 1.971 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 24.431 -14.684 1.961 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 0.774 -3.768 -20.993 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 1.484 -4.218 -21.443 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 0.544 -3.048 -21.583 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 -19.535 -6.468 22.501 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 -19.815 -6.938 21.721 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 -19.465 -5.548 22.221 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -12.425 14.753 16.013 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -13.215 15.123 15.623 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.805 15.493 16.033 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -8.186 7.523 -18.936 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -9.046 7.453 -18.506 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -8.396 7.703 -19.856 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 -12.838 10.584 -18.981 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 -12.228 10.534 -19.721 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 -12.388 10.114 -18.281 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 5.944 18.757 20.553 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 5.774 18.347 19.703 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 5.774 18.057 21.183 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -4.571 10.606 -16.396 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -3.961 10.646 -15.666 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -5.261 10.006 -16.106 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 -13.377 1.152 15.491 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 -13.477 0.952 14.571 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 -12.447 1.032 15.671 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 -16.336 21.207 4.399 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 -16.576 21.607 5.229 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 -15.996 20.347 4.639 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -25.247 22.794 -18.537 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -25.847 23.204 -17.917 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -24.407 23.204 -18.357 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 -6.096 -1.149 10.559 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 -6.416 -0.689 9.779 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 -6.896 -1.369 11.039 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 4.524 18.673 -3.611 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 5.374 18.943 -3.941 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 4.254 19.373 -3.021 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 10.643 20.465 8.665 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 11.523 20.835 8.665 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 10.773 19.535 8.505 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -20.883 -24.477 -20.856 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -20.483 -24.547 -19.986 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -20.263 -24.917 -21.436 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 -10.426 -15.606 -21.436 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 -10.896 -15.126 -22.116 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 -9.526 -15.686 -21.766 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 25.515 21.506 18.881 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 25.185 21.716 19.761 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 24.825 20.976 18.491 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 -12.104 -21.216 -8.781 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 -12.044 -20.336 -8.391 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 -12.864 -21.616 -8.361 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -5.204 -9.814 -20.513 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -5.444 -10.034 -21.413 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -5.684 -10.434 -19.973 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 -11.654 -18.829 2.449 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 -10.854 -18.919 1.939 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 -12.044 -19.699 2.459 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 0.953 -6.515 17.933 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 0.743 -6.865 18.793 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 1.883 -6.285 17.983 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 0.655 -19.884 -4.425 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 0.065 -19.384 -4.985 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 0.385 -19.664 -3.535 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 10.622 -9.149 -16.841 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 10.792 -8.729 -15.991 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 9.672 -9.139 -16.931 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 -4.118 0.734 -12.929 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 -4.078 0.364 -13.809 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 -4.778 0.204 -12.479 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 -4.805 17.771 5.504 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 -5.595 17.961 4.994 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 -4.135 17.591 4.844 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.627 -5.296 16.773 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.357 -4.386 16.653 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 11.527 -5.326 16.453 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 6.954 -19.667 13.677 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 7.694 -19.287 14.147 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 7.174 -20.597 13.607 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -10.834 -21.274 19.941 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -10.904 -22.224 19.821 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -9.934 -21.074 19.731 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 23.491 10.534 -18.301 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 22.651 10.824 -18.651 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 23.251 9.894 -17.631 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 8.965 -12.243 20.538 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 9.885 -12.483 20.478 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 8.505 -13.073 20.688 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 18.094 -20.236 21.466 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 18.504 -19.646 22.106 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 18.094 -19.726 20.646 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 1.323 23.823 -7.555 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 0.713 23.423 -8.175 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 2.183 23.653 -7.925 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 2.194 -5.437 23.848 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 3.034 -5.887 23.838 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 2.384 -4.547 23.538 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 11.045 12.516 -23.746 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 11.935 12.656 -24.066 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 10.835 13.306 -23.256 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 -16.418 10.733 -3.265 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 -16.208 11.653 -3.465 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 -15.868 10.233 -3.855 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 25.236 25.026 -10.139 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 24.286 24.996 -9.989 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 25.326 24.876 -11.079 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -20.387 2.636 -6.919 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -20.267 1.756 -7.279 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -21.197 2.566 -6.409 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -6.538 7.975 -16.882 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -7.108 7.925 -17.642 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -7.018 8.505 -16.252 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 16.901 -10.087 19.555 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 16.611 -10.867 19.085 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 17.211 -9.497 18.865 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 9.634 8.925 -14.601 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 9.164 8.095 -14.571 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 10.024 8.945 -15.471 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 0.647 14.295 -16.011 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 0.667 15.205 -15.711 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 1.057 14.325 -16.881 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 1.084 24.705 -4.533 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 1.084 24.255 -5.373 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 1.284 25.615 -4.743 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 -3.418 20.986 22.035 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 -3.308 21.896 21.745 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 -3.538 21.046 22.975 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 13.444 22.144 12.303 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 14.274 22.634 12.353 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 12.764 22.814 12.383 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 16.104 -11.254 22.895 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 16.254 -11.304 21.955 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 15.194 -11.534 23.005 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 20.895 22.124 -5.161 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 21.805 22.364 -4.981 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 20.775 22.314 -6.091 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 6.001 -15.813 10.305 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 6.441 -15.053 10.685 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 6.461 -16.573 10.665 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -16.575 -8.285 5.479 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -17.505 -8.065 5.469 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -16.415 -8.645 6.349 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -19.416 9.587 23.257 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -19.746 8.757 22.927 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -18.886 9.937 22.537 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 23.837 23.685 5.607 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 23.527 22.785 5.667 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 24.337 23.715 4.797 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -4.626 -23.433 14.525 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -4.516 -22.553 14.895 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -3.746 -23.693 14.255 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 11.995 -18.908 -23.383 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 12.845 -18.878 -23.833 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 11.665 -18.018 -23.443 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 19.956 21.667 22.377 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 19.656 22.227 23.087 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 19.726 20.777 22.657 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 10.936 -0.914 3.789 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 11.676 -1.504 3.899 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 10.266 -1.444 3.369 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 22.173 0.723 9.458 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 22.733 1.363 9.898 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 22.463 -0.127 9.798 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 14.042 0.811 1.465 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 14.392 1.111 2.305 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 13.132 1.101 1.465 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 23.795 -12.407 -20.296 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 23.515 -11.507 -20.156 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 24.745 -12.357 -20.386 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -16.846 -2.317 -19.397 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -16.936 -2.107 -18.467 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -16.956 -3.277 -19.427 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 18.862 19.714 -24.895 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 18.132 20.334 -24.895 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 19.242 19.784 -24.025 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -21.176 18.142 14.813 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -20.266 18.342 15.023 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -21.646 18.962 14.993 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 24.684 2.974 9.814 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 24.164 3.704 10.154 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 25.384 3.394 9.315 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 2.241 0.566 20.315 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 2.261 0.066 19.495 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 2.931 0.176 20.845 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -10.806 12.845 -22.996 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -10.276 12.795 -22.206 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -10.366 12.275 -23.626 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 -12.287 19.752 1.734 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 -11.787 20.462 1.344 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 -13.017 19.602 1.125 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 3.585 -16.958 8.069 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 4.245 -16.778 7.399 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 2.935 -16.268 7.939 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 -3.275 -0.555 3.007 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 -3.175 0.245 3.527 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 -3.595 -0.245 2.157 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -23.894 4.565 16.123 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -23.934 5.515 16.163 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -24.364 4.335 15.323 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 15.693 -12.285 -5.267 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 14.993 -11.855 -4.777 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 15.563 -11.995 -6.167 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -22.141 -14.496 -2.546 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -22.041 -15.046 -3.316 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -21.351 -14.656 -2.026 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 -18.767 -0.234 -1.371 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 -18.607 -1.084 -1.801 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 -19.467 -0.414 -0.741 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -14.868 24.517 22.359 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -15.698 24.337 22.799 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -15.118 24.837 21.499 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 -17.384 1.237 13.655 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 -17.274 2.107 14.035 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 -17.194 0.637 14.375 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -6.036 -0.095 -15.611 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -6.486 0.255 -16.371 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -5.816 -0.995 -15.851 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 5.293 -16.848 -3.315 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 5.743 -17.618 -2.975 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 4.633 -17.198 -3.915 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -1.156 -15.574 -18.875 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -0.516 -14.914 -18.595 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -1.306 -16.114 -18.105 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -19.575 -5.335 -18.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -20.065 -6.085 -18.099 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -19.915 -4.595 -17.929 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -20.836 -16.668 -20.165 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -20.166 -16.188 -20.655 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -21.536 -16.818 -20.795 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -0.933 -0.458 -9.759 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -0.853 -1.418 -9.729 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -0.493 -0.218 -10.579 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 -10.617 -22.196 0.794 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 -10.237 -22.026 1.654 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 -11.557 -22.276 0.954 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 -17.604 14.617 7.475 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 -17.314 15.037 8.285 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 -17.384 13.697 7.585 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 24.864 5.554 6.185 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 24.154 5.064 5.755 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 25.414 5.864 5.465 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 9.806 -23.293 3.036 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 9.916 -23.553 2.126 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 10.486 -23.773 3.506 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -22.655 -9.896 22.090 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -23.445 -10.086 21.590 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -22.925 -9.246 22.730 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 15.764 16.930 -15.759 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 16.404 17.010 -16.459 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 16.264 16.600 -15.009 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 15.256 24.987 19.713 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 15.296 25.857 19.313 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 15.156 24.387 18.983 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 10.911 7.453 2.423 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 11.741 7.763 2.053 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 10.891 6.523 2.223 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 23.594 -4.297 22.821 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 24.054 -4.577 23.611 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 23.344 -5.107 22.381 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 -14.404 -15.033 2.189 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 -14.114 -14.463 1.469 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 -14.134 -15.913 1.929 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 -9.556 -5.236 0.777 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 -9.226 -5.136 -0.113 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 -10.506 -5.206 0.687 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 -23.419 -24.647 3.149 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 -22.619 -24.497 2.649 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 -23.599 -25.577 3.049 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 -11.470 -23.381 9.657 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 -11.230 -24.201 9.237 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 -12.090 -23.631 10.347 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 12.024 2.907 -8.703 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 12.224 2.117 -9.193 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 11.624 2.587 -7.893 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 10.984 -17.061 20.557 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 10.244 -16.461 20.447 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 11.714 -16.481 20.777 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 -22.027 8.644 24.511 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 -21.247 8.464 23.981 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 -22.407 9.424 24.121 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 13.090 9.193 5.009 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 13.260 8.353 4.599 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 12.410 9.603 4.469 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 -22.314 0.084 12.765 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 -21.714 0.804 12.935 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 -21.914 -0.406 12.045 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -7.555 -1.375 20.255 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -6.885 -2.055 20.325 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -7.955 -1.355 21.125 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 9.723 -12.155 -16.815 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 9.493 -12.785 -16.135 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 9.343 -11.335 -16.525 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 20.472 10.714 -11.359 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 21.402 10.524 -11.359 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 20.312 11.124 -10.509 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 24.339 18.547 -8.227 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 23.389 18.487 -8.137 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 24.469 19.037 -9.037 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 16.573 4.443 23.239 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 15.723 3.993 23.219 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 17.133 3.873 23.769 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 -3.936 -24.679 9.593 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 -3.796 -25.289 8.873 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 -4.806 -24.899 9.933 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 19.244 12.972 -13.301 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 19.294 12.242 -12.691 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 18.304 13.132 -13.401 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 -23.795 5.144 3.631 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 -23.635 4.814 2.741 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 -23.455 4.454 4.201 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 20.511 -6.116 16.153 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 21.151 -5.656 15.603 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 20.441 -5.576 16.943 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 8.226 20.083 0.997 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 7.516 19.553 1.357 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 8.506 20.633 1.727 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 -11.485 -0.297 7.363 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 -11.545 0.303 6.613 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 -10.555 -0.507 7.433 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -19.983 1.401 -3.139 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 -20.813 1.011 -2.889 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 -19.403 0.651 -3.309 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 -7.733 -24.499 2.311 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -8.273 -24.929 2.971 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -8.143 -23.639 2.191 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.625 -17.574 1.367 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 21.975 -17.294 0.527 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 22.385 -17.574 1.957 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 18.601 -1.898 7.414 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 18.741 -0.988 7.675 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 18.581 -1.868 6.454 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -21.744 -12.646 9.227 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -21.244 -12.666 8.407 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -21.444 -13.406 9.717 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 0.362 8.094 0.243 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 -0.008 7.914 -0.617 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 1.312 7.994 0.123 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 11.313 -12.024 4.739 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 12.053 -12.514 5.089 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 11.613 -11.114 4.719 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 2.893 -10.961 20.437 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 2.153 -11.051 19.837 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 2.983 -10.021 20.577 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 13.782 2.421 -1.226 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 13.252 1.741 -1.646 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 14.002 2.051 -0.366 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 -18.087 -5.174 -21.033 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 -18.627 -5.234 -20.243 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 -17.187 -5.304 -20.723 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -10.424 -8.178 15.458 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -9.624 -8.688 15.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -10.314 -7.758 16.308 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 14.626 11.565 22.867 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 15.346 10.935 22.897 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 14.076 11.345 23.617 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 -22.127 -6.707 17.265 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 -21.867 -5.887 17.675 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 -21.307 -7.177 17.115 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -5.286 1.244 -9.467 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -4.916 2.004 -9.917 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -6.156 1.534 -9.187 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 2.597 23.103 -2.403 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 2.807 23.183 -1.473 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 2.577 22.153 -2.563 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 -15.593 15.345 5.609 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 -15.623 16.155 6.129 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 -16.213 14.765 6.049 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 -15.564 -12.430 9.471 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 -15.174 -13.260 9.191 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 -16.064 -12.650 10.251 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 -0.393 -2.218 7.683 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 -0.153 -3.058 8.073 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 -1.233 -2.378 7.253 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 -20.336 7.421 -18.469 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 -20.136 7.471 -17.529 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 -21.006 8.081 -18.609 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 10.054 -2.494 1.513 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 10.514 -3.134 2.063 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 9.834 -2.974 0.713 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -17.763 -22.457 -11.186 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -18.353 -21.777 -10.856 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -18.263 -23.277 -11.096 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 15.664 -4.943 -16.091 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 16.534 -5.303 -15.931 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 15.434 -4.503 -15.271 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 -11.245 19.613 -25.119 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 -10.925 19.193 -25.919 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 -10.755 19.193 -24.419 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 24.545 21.417 1.271 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 24.225 21.697 0.411 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 23.855 20.837 1.601 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 -4.985 -4.859 10.129 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 -4.915 -4.749 9.179 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 -5.195 -3.989 10.459 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.563 16.614 23.613 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 2.113 16.714 22.773 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.063 15.944 24.083 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 17.617 19.003 5.557 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 17.787 18.103 5.817 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 17.147 18.943 4.727 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 15.583 -20.903 4.711 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 16.333 -20.343 4.881 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 15.863 -21.483 4.001 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 14.397 22.627 -3.529 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 13.887 21.977 -4.019 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 14.067 23.467 -3.849 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -6.613 -1.937 -24.412 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -5.943 -1.497 -23.902 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -6.783 -1.347 -25.152 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 -8.401 6.483 2.875 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 -7.481 6.453 3.155 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 -8.891 6.593 3.695 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 19.826 0.483 8.457 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 19.926 -0.457 8.607 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 20.586 0.873 8.887 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 -12.466 16.867 -19.885 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 -12.136 16.337 -20.605 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 -13.416 16.797 -19.945 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 14.522 8.503 13.424 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 14.612 9.393 13.764 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 13.612 8.443 13.154 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 19.674 -14.565 -20.327 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 19.004 -15.235 -20.187 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 20.444 -15.045 -20.627 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 0.132 -2.279 3.898 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 -0.548 -2.029 3.268 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 0.472 -1.449 4.228 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 18.845 -3.366 -16.559 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 17.945 -3.686 -16.459 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 19.295 -3.656 -15.769 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -18.983 20.103 16.823 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -18.273 20.363 17.403 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -19.563 19.573 17.373 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 -23.377 13.655 15.597 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 -22.617 13.085 15.717 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 -23.247 14.365 16.217 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -4.186 9.077 -7.533 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -4.046 9.877 -7.023 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -3.656 8.407 -7.103 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -1.136 6.470 -24.423 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -1.636 7.280 -24.313 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -1.066 6.110 -23.543 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 1.307 5.930 -10.791 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 0.437 6.200 -10.481 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 1.297 4.980 -10.731 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -9.056 2.489 8.387 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -8.956 2.979 9.207 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -8.366 2.829 7.817 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 9.585 -16.210 0.695 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 8.635 -16.170 0.685 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 9.855 -15.340 1.015 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 -20.524 14.003 6.559 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 -20.134 14.873 6.469 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 -20.594 13.863 7.509 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 -16.168 10.481 4.373 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 -16.268 9.561 4.583 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 -16.978 10.891 4.693 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 4.285 -24.467 20.464 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 4.565 -24.047 19.654 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 3.705 -25.177 20.175 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 -5.538 16.040 16.458 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 -5.358 16.680 17.148 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 -5.618 16.560 15.658 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 15.873 -0.151 -1.149 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.083 -0.011 -0.619 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 16.383 -0.781 -0.649 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 9.994 5.552 14.521 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 9.454 5.842 15.261 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 9.684 4.662 14.331 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -0.117 19.193 -10.451 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -1.017 19.243 -10.101 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 0.403 19.723 -9.841 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 8.007 -13.149 10.545 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 8.867 -12.759 10.415 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 7.797 -12.969 11.465 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 5.071 -9.367 -23.289 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 5.861 -8.827 -23.289 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 4.571 -9.077 -24.049 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 7.284 20.763 -16.689 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 7.374 20.293 -17.509 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 7.784 21.563 -16.809 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 8.663 -14.276 3.427 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 9.573 -14.296 3.717 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 8.683 -13.756 2.627 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 8.260 11.142 17.113 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 8.850 11.892 16.983 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 8.370 10.622 16.313 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -13.414 18.360 6.078 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -13.654 17.600 5.558 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -13.944 18.280 6.878 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 20.196 -7.830 -15.722 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 20.166 -8.190 -14.832 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 21.126 -7.650 -15.872 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 -15.367 -25.407 -14.601 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 -15.067 -24.787 -13.941 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 -14.657 -25.447 -15.241 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 5.126 -21.397 -14.075 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 5.206 -21.797 -13.205 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 5.976 -20.987 -14.215 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 -24.147 -10.741 -24.066 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 -23.507 -10.141 -24.456 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 -24.997 -10.401 -24.336 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 9.922 -9.556 21.053 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 10.492 -10.326 21.083 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 10.082 -9.106 21.873 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 14.711 -19.388 23.203 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 15.661 -19.318 23.083 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 14.431 -19.998 22.523 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 -12.487 -12.298 -18.817 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 -12.507 -11.708 -18.067 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 -11.857 -12.968 -18.577 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 2.219 12.625 11.401 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 3.149 12.875 11.401 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 2.169 11.905 12.021 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 -13.356 -5.880 4.163 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 -13.986 -5.880 3.443 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 -12.556 -6.240 3.773 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 12.045 -24.833 19.765 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 11.775 -23.923 19.635 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 11.225 -25.323 19.845 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 20.166 13.966 -16.131 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 20.966 13.456 -16.251 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 19.536 13.346 -15.761 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 -22.105 -16.802 -17.809 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 -21.885 -17.532 -17.229 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 -21.855 -17.092 -18.679 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -16.176 2.524 -24.793 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -16.086 1.834 -24.143 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -15.756 3.284 -24.393 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 16.433 -12.862 12.827 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 16.193 -12.612 13.717 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 15.653 -13.302 12.487 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.017 -0.305 17.629 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.807 -1.155 17.229 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 3.427 0.305 17.189 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 4.703 24.782 -2.939 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 4.183 25.352 -3.509 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 4.073 24.172 -2.569 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 -16.175 -19.476 10.459 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 -16.965 -19.836 10.079 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 -16.445 -18.656 10.869 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -14.455 -20.217 22.600 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -14.005 -19.887 23.380 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -14.565 -21.147 22.760 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 22.832 13.661 18.055 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 22.312 14.241 17.495 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 22.582 12.781 17.765 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 3.290 1.754 11.608 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 3.600 2.614 11.318 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 2.470 1.934 12.058 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 17.374 20.307 -6.855 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 16.574 20.677 -7.225 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 17.934 20.127 -7.615 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 -6.055 -21.353 -2.324 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 -6.305 -21.373 -3.254 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 -5.345 -21.993 -2.244 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 13.552 12.832 -7.495 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 13.872 12.662 -8.375 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 13.282 13.742 -7.505 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -13.647 -24.089 23.729 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -14.387 -23.969 24.319 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -13.957 -24.709 23.069 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 12.057 -23.330 -21.446 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 12.197 -24.090 -22.006 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 12.517 -22.610 -21.876 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -2.076 -17.308 -16.819 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.556 -17.848 -17.439 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.196 -17.668 -16.809 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -22.486 1.844 -12.385 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -22.026 1.854 -11.545 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -23.066 2.604 -12.355 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 -13.260 0.575 1.803 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 -12.320 0.465 1.703 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 -13.360 1.395 2.293 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 18.687 8.024 -19.002 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 18.507 8.904 -19.332 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 18.557 8.094 -18.052 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 4.723 9.846 -20.167 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 4.663 9.076 -19.597 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 3.843 10.216 -20.177 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 15.009 22.527 8.347 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 15.149 21.587 8.227 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 15.739 22.937 7.897 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -22.226 -5.462 21.517 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -21.806 -4.602 21.517 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -22.356 -5.662 20.587 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 3.812 -7.287 4.455 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 4.422 -7.567 5.135 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 4.042 -6.377 4.265 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -0.308 17.575 -18.529 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -0.408 16.915 -17.839 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -1.158 17.995 -18.599 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 10.255 7.061 8.585 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 9.825 6.931 9.435 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 11.105 6.641 8.685 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -14.353 -5.328 -3.776 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -14.313 -4.448 -3.406 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -14.283 -5.198 -4.726 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 -10.703 5.436 18.343 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 -9.933 5.826 17.933 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 -11.443 5.896 17.933 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -1.445 5.425 -1.081 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -1.475 5.255 -2.031 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -1.395 6.385 -1.011 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 19.905 -8.684 -18.802 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 19.595 -7.944 -19.332 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 19.995 -8.324 -17.922 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 1.572 4.640 13.913 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 1.242 3.750 13.783 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 0.902 5.080 14.423 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 2.783 -12.095 1.523 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 3.493 -12.585 1.943 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 2.563 -11.415 2.153 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 -2.995 1.653 -20.898 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 -3.335 1.983 -20.068 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 -2.095 1.413 -20.708 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -15.605 -0.990 4.402 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -14.755 -0.930 3.972 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -15.745 -1.920 4.532 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 -14.798 -20.134 -2.712 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 -15.418 -20.604 -3.272 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 -15.028 -19.214 -2.832 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 8.535 -12.519 -24.796 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 7.745 -12.399 -24.286 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 9.225 -12.069 -24.306 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -12.938 25.165 18.230 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -11.988 25.265 18.150 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -13.238 24.985 17.340 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 24.472 19.176 -14.083 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 23.862 19.046 -13.353 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 24.382 18.376 -14.603 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 22.963 -9.598 -15.137 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 22.723 -9.578 -14.207 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 22.133 -9.688 -15.597 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 -24.316 10.794 -21.536 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 -23.986 10.704 -22.426 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 -24.896 10.044 -21.416 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 23.387 -24.598 -17.953 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 23.197 -24.758 -18.873 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 23.077 -25.378 -17.493 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 24.193 -2.936 -0.373 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 23.963 -3.256 -1.243 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 23.343 -2.786 0.057 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 23.934 25.143 24.804 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 24.134 25.403 25.704 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 23.924 24.183 24.824 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 10.896 -21.776 15.423 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 10.346 -21.006 15.573 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 11.026 -21.806 14.483 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 -0.164 -8.426 24.661 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 -0.324 -8.436 23.721 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 0.416 -9.176 24.821 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 -2.786 -13.124 -14.067 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 -2.456 -12.804 -13.227 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 -3.676 -12.774 -14.127 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 19.191 21.293 4.778 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 19.331 20.373 4.568 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 19.221 21.323 5.738 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 2.003 23.644 -21.411 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 2.313 24.094 -20.631 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 1.403 22.974 -21.091 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 21.124 7.934 5.544 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 20.794 8.824 5.514 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 21.004 7.664 6.454 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -22.225 11.407 -11.137 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -23.005 10.977 -11.507 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -21.615 11.457 -11.877 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 -21.139 25.592 6.763 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 -20.459 24.992 7.073 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 -21.859 25.022 6.493 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 18.442 -22.629 8.419 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 18.682 -21.779 8.039 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 19.062 -23.239 8.019 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 24.254 7.265 -6.629 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 24.724 6.545 -6.209 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 23.344 7.145 -6.389 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 14.306 -6.633 6.825 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 13.556 -6.163 7.195 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 14.416 -6.243 5.955 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.244 -20.767 -13.833 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.304 -19.977 -14.363 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.314 -20.467 -12.933 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 0.653 -6.443 21.853 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 1.323 -6.123 22.463 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 -0.167 -6.353 22.333 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 20.237 19.711 -0.207 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 20.697 20.391 -0.697 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 19.917 19.111 -0.877 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 20.392 3.984 -21.111 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 20.452 3.084 -20.781 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 19.482 4.224 -20.981 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.200 -19.146 -0.605 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 -0.200 -18.586 0.065 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.200 -18.616 -1.395 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 0.285 6.414 22.173 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 -0.615 6.254 21.893 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 0.805 6.364 21.373 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 5.243 -14.528 -21.505 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 5.543 -15.418 -21.685 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 5.363 -14.408 -20.565 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -14.677 -5.216 -6.529 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -14.117 -5.946 -6.799 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -15.477 -5.326 -7.049 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 17.052 1.969 -2.823 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 16.762 2.619 -2.183 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 16.642 1.149 -2.533 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -13.765 25.479 -4.991 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -13.905 24.789 -4.331 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -14.345 25.229 -5.711 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 -0.209 11.233 -13.089 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 0.051 10.483 -12.549 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 -0.029 10.943 -13.989 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -15.019 -0.192 -2.275 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -15.539 0.318 -2.895 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -14.599 0.458 -1.715 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -16.507 23.902 8.619 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -16.417 24.852 8.469 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -15.857 23.512 8.039 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -4.345 20.696 -21.449 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -4.715 20.806 -20.569 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -4.565 19.796 -21.679 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 -3.795 21.317 24.575 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 -4.675 20.937 24.635 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 -3.315 20.907 25.295 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 -16.359 -9.094 -4.792 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 -16.619 -8.174 -4.872 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 -17.029 -9.484 -4.242 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -2.153 19.754 -13.681 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -2.703 19.204 -13.131 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -1.863 20.464 -13.111 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.116 16.345 -0.572 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.246 16.025 -0.812 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.656 16.195 -1.352 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -16.346 -18.685 23.938 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -15.676 -19.065 23.368 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -15.926 -17.905 24.298 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 -13.017 -12.737 -15.207 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -12.277 -12.187 -15.477 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -12.667 -13.257 -14.477 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 -20.215 5.280 22.611 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 -19.715 4.600 23.061 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 -19.845 5.280 21.721 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 -12.986 21.945 24.269 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 -12.596 21.825 25.139 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 -12.286 22.325 23.739 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 -3.007 -3.537 -21.555 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 -2.977 -2.687 -21.995 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 -2.647 -4.147 -22.195 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -23.785 -22.418 -10.343 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -24.615 -22.018 -10.103 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -23.995 -23.348 -10.473 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 23.982 13.164 -4.656 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 23.292 13.304 -5.306 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 23.662 13.624 -3.876 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -0.171 -7.118 -23.259 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 0.039 -7.528 -24.089 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 0.669 -6.778 -22.939 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -11.346 20.007 -8.527 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -11.016 19.447 -7.827 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -11.216 20.907 -8.207 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 22.121 -13.985 -23.545 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 22.681 -13.905 -24.325 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 21.951 -13.085 -23.275 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -0.566 -17.680 -5.953 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -0.246 -17.180 -5.203 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -0.316 -17.160 -6.713 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -18.864 15.238 -10.828 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -18.494 14.518 -11.348 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -19.704 14.898 -10.508 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 8.517 -17.965 18.451 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 7.887 -18.475 18.951 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 8.337 -17.055 18.691 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -22.803 -22.536 -15.143 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -22.223 -21.786 -15.303 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -23.583 -22.156 -14.743 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 20.451 17.112 -17.281 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 20.091 16.482 -16.651 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 19.731 17.312 -17.871 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 -25.384 -14.267 -7.631 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 -25.334 -15.217 -7.551 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 -24.794 -14.047 -8.351 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 -5.417 20.601 -18.979 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 -5.237 20.981 -18.119 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 -6.337 20.821 -19.149 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 -18.079 11.821 -17.407 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 -18.599 11.561 -18.167 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 -18.389 12.711 -17.207 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 17.840 1.783 -7.085 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 17.950 1.233 -7.865 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 17.370 1.233 -6.465 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 -17.616 14.543 -16.993 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 -16.736 14.313 -16.683 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 -17.526 15.453 -17.283 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -24.793 17.481 -2.125 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -24.333 16.681 -2.355 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -25.423 17.621 -2.835 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 15.117 16.956 20.083 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 14.957 17.616 19.413 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 14.777 17.356 20.893 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.851 -5.808 4.933 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.021 -5.328 4.853 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 23.511 -5.128 5.033 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 14.693 22.603 -0.383 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 13.763 22.403 -0.353 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 15.063 22.173 0.387 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 -6.681 -0.989 -8.419 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 -5.871 -0.679 -8.019 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 -6.761 -0.489 -9.229 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 9.973 -21.387 -17.682 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 9.083 -21.627 -17.932 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 10.233 -20.727 -18.332 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -4.237 -0.965 -19.871 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -4.527 -1.675 -20.441 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -3.297 -0.895 -20.041 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -12.825 -0.938 -10.327 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -12.715 -1.578 -11.027 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -13.035 -1.448 -9.547 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 -7.866 -12.345 0.788 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 -8.756 -12.115 0.538 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 -7.356 -11.555 0.618 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -22.875 -19.876 9.363 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -23.805 -19.776 9.603 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -22.865 -20.596 8.733 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -18.601 17.564 8.996 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -18.881 18.424 8.676 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -17.831 17.354 8.456 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 20.146 24.273 17.765 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 19.976 24.333 16.825 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 20.416 25.153 18.015 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -10.466 13.364 -11.305 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.636 13.774 -11.545 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -10.446 12.504 -11.705 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 21.432 -25.015 12.305 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 21.182 -25.245 11.405 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 20.652 -24.615 12.675 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 22.645 10.971 19.951 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 22.435 11.711 20.521 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 21.805 10.691 19.591 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -12.276 0.727 -25.127 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -11.886 0.687 -24.247 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -11.546 0.937 -25.707 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 -13.357 -15.387 12.219 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 -13.877 -16.167 12.409 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 -13.057 -15.517 11.319 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -21.528 -4.366 0.839 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -22.158 -3.806 0.399 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -21.558 -5.196 0.349 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 16.952 19.375 12.287 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 16.342 18.715 12.617 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 17.512 19.585 13.027 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 13.634 -9.920 -11.582 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 13.094 -10.610 -11.202 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 14.524 -10.290 -11.592 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 -15.593 -12.246 1.823 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 -15.893 -11.476 2.293 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 -16.383 -12.776 1.693 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 18.694 24.786 -4.247 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 19.124 23.936 -4.327 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 17.834 24.586 -3.877 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -8.713 -5.497 25.313 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -7.963 -5.467 24.713 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -9.423 -5.107 24.813 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 -23.275 16.509 23.142 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 -23.275 16.629 22.192 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 -24.095 16.909 23.422 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -1.578 25.044 -8.581 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -1.098 24.874 -9.391 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -2.498 24.954 -8.831 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 17.652 19.657 20.173 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 17.002 19.747 20.873 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 18.432 19.327 20.623 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -3.657 0.564 0.711 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -2.857 0.854 0.261 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -4.347 1.124 0.371 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 18.281 19.035 -14.885 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 18.341 18.075 -14.895 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 19.161 19.315 -14.635 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 20.254 14.807 -24.613 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 21.004 15.307 -24.923 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 19.974 15.257 -23.823 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 0.293 -4.319 -2.099 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 0.343 -3.619 -2.749 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 0.853 -5.009 -2.449 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 9.296 19.041 -23.311 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 9.736 19.761 -22.851 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 9.206 18.361 -22.651 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 18.785 -22.376 -16.899 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 17.995 -22.006 -16.489 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 18.625 -22.276 -17.839 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 25.180 12.504 -18.711 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 25.810 12.344 -19.421 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 24.550 11.794 -18.791 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 13.873 19.133 -0.343 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 13.363 19.263 0.457 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 14.203 18.233 -0.273 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.276 -10.722 -7.807 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 2.586 -10.412 -8.397 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 3.676 -11.452 -8.277 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -7.807 16.807 -17.879 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -8.127 17.127 -17.039 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -7.257 17.517 -18.209 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 22.125 8.692 21.173 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 21.775 8.932 20.313 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 22.935 9.182 21.243 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 -14.046 -8.955 8.611 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 -14.006 -9.895 8.791 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 -13.976 -8.895 7.661 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 3.530 -16.093 13.465 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 3.310 -16.003 12.535 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 4.490 -16.023 13.495 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.148 -6.155 10.327 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -15.488 -6.595 9.787 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -16.648 -6.875 10.707 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 19.953 -23.299 21.233 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.493 -24.129 21.303 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 19.303 -22.639 21.483 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 21.486 11.104 -8.377 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 22.006 11.844 -8.067 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 22.096 10.584 -8.907 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 -23.324 11.582 -6.705 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 -23.584 11.972 -7.545 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 -22.634 12.162 -6.385 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 22.806 9.317 24.571 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 22.946 8.787 25.361 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 21.936 9.707 24.701 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -12.587 -24.578 11.559 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -13.057 -25.408 11.679 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -12.177 -24.408 12.399 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 13.795 -10.393 5.441 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 13.835 -10.353 6.401 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 14.705 -10.433 5.161 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 -21.816 20.772 -3.887 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 -21.296 21.142 -3.177 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 -22.566 20.362 -3.447 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 -19.064 9.603 2.627 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 -18.664 8.773 2.887 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 -19.444 9.943 3.437 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -4.400 -16.878 -8.516 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -4.600 -16.108 -9.056 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -4.250 -17.578 -9.146 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 13.687 -14.241 -1.581 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 13.037 -14.351 -0.891 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 13.797 -13.291 -1.661 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 -13.651 16.945 22.303 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 -13.731 15.995 22.193 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 -13.681 17.295 21.413 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.447 -22.893 16.915 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.467 -23.623 16.295 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 16.787 -23.153 17.565 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 12.916 18.270 7.663 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 12.746 18.940 7.003 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 13.876 18.190 7.683 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 18.763 -17.736 -18.551 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 18.963 -16.956 -18.031 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 18.473 -18.386 -17.901 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -12.488 -17.366 -22.403 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -11.978 -16.986 -21.683 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -12.118 -16.956 -23.183 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -6.627 21.894 -16.887 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -6.487 22.554 -16.197 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -6.637 22.404 -17.697 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -12.304 13.832 -13.481 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -13.184 14.172 -13.301 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -11.724 14.342 -12.921 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 -0.147 9.834 2.479 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 0.053 10.424 1.759 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 -0.777 9.214 2.109 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 22.159 15.380 2.333 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 21.669 16.150 2.043 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 22.839 15.720 2.903 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 18.864 -22.983 -3.247 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 19.654 -22.703 -2.777 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 19.144 -23.083 -4.157 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 2.599 9.580 8.549 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 2.469 9.980 7.689 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 2.269 8.690 8.449 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 0.441 7.314 -18.579 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 0.061 7.634 -19.389 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -0.289 6.934 -18.099 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -1.854 -6.826 2.079 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -1.484 -6.526 1.249 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -1.424 -7.666 2.239 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -2.413 -11.618 -5.415 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -1.583 -11.688 -5.875 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -2.403 -10.738 -5.035 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 17.641 17.222 -18.853 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 17.461 18.072 -19.253 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 18.091 16.722 -19.533 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 1.027 9.452 -16.033 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 1.107 8.842 -15.303 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 0.767 8.922 -16.773 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 4.854 -22.979 17.841 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 5.154 -22.089 17.631 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 4.064 -23.089 17.321 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 16.784 -21.186 -3.269 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 17.294 -20.476 -3.679 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 17.414 -21.906 -3.189 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -24.421 -24.170 0.209 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -24.291 -25.060 -0.121 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -23.551 -23.910 0.529 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -9.415 -0.478 -8.157 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.485 -0.688 -8.137 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 0.022 -7.357 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 14.905 -18.706 20.453 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 14.385 -17.946 20.723 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 15.805 -18.406 20.463 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 2.312 -14.226 6.771 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 2.842 -14.216 5.981 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 2.902 -13.926 7.461 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 24.555 -23.295 -12.643 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 23.935 -23.505 -11.943 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 24.515 -24.045 -13.233 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -21.313 8.416 9.497 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -21.573 7.526 9.277 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -22.123 8.926 9.487 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 19.963 -7.168 6.261 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 20.633 -6.558 6.591 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 20.243 -8.028 6.581 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 11.504 -18.957 -15.661 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 11.404 -18.717 -14.751 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 11.294 -19.897 -15.691 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 -24.585 -2.786 -18.735 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 -25.525 -2.896 -18.625 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 -24.195 -3.236 -17.995 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -7.237 -13.335 23.907 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -7.197 -12.895 23.067 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -6.987 -12.665 24.547 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -16.676 3.112 -6.921 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -16.756 3.412 -6.021 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 -17.026 2.222 -6.921 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 4.804 -2.027 0.415 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 5.054 -2.957 0.415 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 5.604 -1.567 0.165 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 10.774 -8.277 7.178 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 10.094 -8.357 6.508 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 10.584 -7.437 7.608 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 20.403 7.201 24.407 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 19.923 8.031 24.317 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 19.743 6.581 24.727 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -24.198 21.182 -13.067 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -23.358 20.732 -13.217 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -24.798 20.792 -13.707 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 -6.364 9.473 -24.216 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 -5.864 10.043 -24.796 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 -6.834 8.883 -24.796 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 -15.234 -7.417 -23.961 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 -15.814 -6.767 -24.341 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 -15.534 -7.507 -23.051 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -21.759 -18.185 6.417 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -21.189 -18.315 7.167 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -21.629 -18.965 5.877 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 9.680 -4.359 -6.677 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 10.140 -3.909 -5.967 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 10.230 -5.109 -6.877 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 -18.545 -2.317 -3.651 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 -18.175 -3.187 -3.501 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 -17.895 -1.877 -4.201 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -5.958 -3.138 -5.259 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -5.378 -2.558 -5.759 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -5.638 -4.018 -5.449 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -21.777 -15.654 -5.529 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -21.597 -15.714 -6.469 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -21.577 -14.754 -5.299 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 8.532 4.643 6.167 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 8.742 5.533 5.907 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 9.312 4.343 6.647 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 14.903 -18.214 6.473 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 14.193 -18.854 6.603 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 15.333 -18.484 5.663 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -12.323 6.977 -13.747 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -11.643 6.487 -13.277 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -13.133 6.717 -13.327 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 -10.648 -1.539 -17.471 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 -10.568 -2.499 -17.471 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 -10.878 -1.319 -16.571 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 15.522 24.906 23.718 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 15.932 24.586 22.918 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 14.782 25.436 23.408 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 4.065 7.076 -24.853 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 4.495 6.536 -25.513 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 3.455 7.626 -25.353 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 10.906 -23.897 -12.901 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 10.736 -23.067 -13.331 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 11.396 -24.407 -13.541 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 4.063 8.707 -16.961 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 3.733 9.187 -16.201 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 3.863 9.267 -17.711 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 -17.824 -14.911 14.471 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 -16.874 -14.831 14.551 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 -17.974 -15.841 14.301 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 -18.676 21.286 8.959 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 -18.706 21.816 9.749 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 -18.876 20.396 9.249 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 -14.304 16.356 14.899 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 -14.884 16.456 14.149 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -13.494 16.796 14.629 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 8.395 5.666 -3.569 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 7.665 6.216 -3.269 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.875 5.456 -2.769 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -8.025 10.125 -12.607 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -7.425 9.835 -11.917 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -8.105 11.065 -12.467 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 20.715 -1.275 -1.599 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 20.755 -2.115 -2.059 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 21.585 -0.895 -1.719 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 18.795 -10.821 8.129 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 19.755 -10.811 8.209 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 18.495 -10.181 8.769 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -2.840 16.375 16.401 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -3.700 16.775 16.541 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -2.450 16.325 17.271 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 -3.194 -15.379 -6.587 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 -3.904 -14.739 -6.527 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 -3.574 -16.109 -7.077 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 4.736 1.535 8.418 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 4.636 2.475 8.508 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 4.016 1.275 7.838 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 22.254 -8.478 3.653 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 21.314 -8.438 3.513 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 22.454 -7.678 4.153 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 -6.248 2.333 -3.907 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 -5.618 2.703 -3.297 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 -5.788 2.283 -4.737 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 3.745 9.032 19.371 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 4.065 9.512 20.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 4.495 8.992 18.771 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 15.043 -5.667 24.904 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 14.923 -6.257 24.165 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 15.703 -6.097 25.455 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 14.847 -13.482 -24.759 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 15.447 -13.192 -24.079 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 14.527 -14.342 -24.469 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 0.934 -21.179 -19.169 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 0.364 -21.219 -19.939 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 1.144 -22.089 -18.979 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 -17.755 -5.474 4.651 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 -17.225 -6.264 4.541 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 -18.395 -5.704 5.321 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 -18.063 14.808 20.885 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 -18.183 15.718 21.145 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 -18.883 14.568 20.455 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 0.525 -10.103 14.231 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 1.405 -10.063 14.601 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 0.545 -9.493 13.491 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 -22.849 15.317 5.405 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 -22.219 15.587 4.735 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 -22.299 14.977 6.115 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 21.703 -6.773 -13.291 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 22.023 -6.293 -14.051 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 21.173 -6.143 -12.811 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 8.696 -4.328 12.498 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 7.836 -4.648 12.228 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 8.506 -3.698 13.198 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -9.288 -0.828 -22.777 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -10.228 -0.758 -22.917 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -9.048 -1.678 -23.147 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 19.796 11.865 20.999 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 19.656 10.995 21.379 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 18.916 12.205 20.849 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 17.773 -8.697 -21.213 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 17.303 -8.357 -20.443 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 17.783 -9.647 -21.083 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 0.053 2.383 -10.803 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 -0.877 2.233 -11.003 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 0.473 2.433 -11.653 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.190 9.493 -4.419 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 24.120 9.673 -4.539 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 23.090 8.563 -4.639 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 17.593 2.016 5.631 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 16.693 2.306 5.471 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 17.613 1.106 5.331 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 -10.176 1.033 1.387 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 -10.056 0.903 2.327 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 -9.866 1.923 1.227 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 10.715 -8.286 -24.262 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 11.335 -8.956 -23.962 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 10.335 -8.656 -25.062 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 -21.475 -8.312 -19.653 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 -22.045 -8.292 -18.873 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 -21.785 -7.582 -20.193 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -17.625 -10.134 -22.293 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -17.945 -10.624 -21.543 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -18.295 -9.474 -22.453 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 0.046 -5.541 9.443 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 0.516 -5.151 8.713 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 0.226 -6.481 9.383 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 -10.285 -18.679 23.321 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 -10.445 -17.939 23.901 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 -10.885 -18.539 22.581 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 6.493 -20.192 2.728 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 7.313 -20.162 3.228 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 6.743 -19.932 1.838 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -25.215 19.364 13.045 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -24.685 19.744 12.345 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -25.695 20.114 13.415 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 0.672 20.917 -12.753 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 1.422 20.617 -13.263 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 0.572 20.257 -12.063 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -1.017 -15.540 -8.255 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -1.747 -15.520 -7.635 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -0.797 -14.610 -8.375 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 21.536 -21.610 -8.007 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 20.616 -21.850 -8.117 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 21.716 -21.810 -7.087 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 11.685 -8.955 4.368 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 11.685 -8.575 5.248 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 12.575 -9.285 4.248 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 11.237 -2.018 -12.185 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 10.967 -2.038 -11.275 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 12.067 -2.488 -12.205 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 -13.493 7.774 -20.045 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 -13.083 8.614 -19.815 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 -14.323 8.014 -20.455 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 10.263 0.047 -10.641 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 10.743 0.027 -11.471 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 9.343 -0.083 -10.891 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 -16.897 -15.130 -10.124 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 -17.487 -15.880 -10.054 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 -16.767 -14.850 -9.214 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 -20.494 18.132 -14.113 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 -21.094 18.872 -14.213 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 -21.034 17.422 -13.753 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 13.569 2.805 -19.095 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 13.689 3.075 -18.185 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 13.259 1.905 -19.045 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -15.776 -23.576 -25.101 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -15.766 -24.286 -24.461 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -15.936 -22.786 -24.581 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 10.900 -24.824 -6.473 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 10.190 -25.304 -6.913 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 11.700 -25.204 -6.843 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 -11.328 -10.906 -9.701 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 -11.578 -11.636 -10.271 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 -12.028 -10.866 -9.041 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -16.135 -16.396 10.917 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -16.075 -15.956 10.077 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -16.895 -15.996 11.347 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 15.199 -7.467 -18.463 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 14.779 -8.287 -18.213 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 15.009 -6.877 -17.723 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -18.451 -14.644 22.591 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -17.991 -15.484 22.531 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -17.781 -14.024 22.861 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -23.451 13.824 -12.695 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -24.231 13.294 -12.815 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -22.781 13.394 -13.225 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 14.883 -20.248 12.064 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 14.783 -19.708 12.854 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 15.793 -20.108 11.804 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 16.916 8.106 11.755 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 16.146 7.916 12.285 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 16.566 8.246 10.875 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 2.167 15.576 11.977 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 1.997 14.636 12.077 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.177 15.916 12.877 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 -3.755 -6.981 -17.977 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 -4.295 -6.191 -17.897 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 -3.915 -7.471 -17.177 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 18.511 -2.581 2.338 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 18.491 -2.381 1.398 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 17.811 -3.221 2.458 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -23.209 -16.494 8.827 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -23.069 -17.304 8.337 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -23.479 -16.794 9.697 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 24.522 -23.336 3.949 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 24.042 -23.926 3.359 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 25.442 -23.546 3.799 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 19.159 -8.256 9.553 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 19.719 -7.846 8.893 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 19.629 -9.056 9.803 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -6.475 -9.439 -5.772 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -6.325 -10.349 -5.492 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -7.395 -9.269 -5.532 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 16.763 -22.551 -6.257 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 16.913 -22.471 -5.317 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 15.813 -22.441 -6.357 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 12.626 -10.838 14.007 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 12.076 -10.298 13.437 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 12.396 -11.738 13.777 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -15.844 13.494 14.513 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -15.104 13.914 14.063 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -15.484 12.674 14.853 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 11.196 12.855 -5.752 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 11.556 12.975 -6.632 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 11.836 12.295 -5.312 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 8.243 -13.481 -3.963 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 8.633 -14.251 -4.373 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 8.393 -13.611 -3.023 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 9.295 11.995 -4.305 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 8.945 12.875 -4.175 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 9.995 12.105 -4.945 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 19.271 -14.774 16.479 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 18.891 -13.924 16.699 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 19.381 -14.744 15.529 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -3.623 -12.927 2.613 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -2.903 -13.537 2.413 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -4.103 -13.357 3.323 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 -21.113 7.532 18.771 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 -21.613 8.302 18.521 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 -21.643 6.792 18.491 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -22.583 9.476 -9.275 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -23.533 9.596 -9.365 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -22.203 10.216 -9.745 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 -9.674 -12.073 3.419 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 -9.264 -11.223 3.569 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 -9.894 -12.073 2.489 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 -4.854 -12.725 -20.806 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 -4.484 -13.545 -20.466 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 -4.484 -12.635 -21.686 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 18.637 6.056 22.301 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 18.097 6.756 22.651 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 18.017 5.376 22.041 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 17.074 13.253 -20.421 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 17.554 13.783 -19.781 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 17.544 13.383 -21.241 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -18.206 18.573 14.195 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -18.096 18.813 13.275 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -17.906 17.673 14.255 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 4.204 23.713 7.471 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 4.854 23.343 8.071 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 3.444 23.133 7.551 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 -25.034 14.232 -16.657 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 -25.244 13.962 -17.557 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 -25.284 13.492 -16.117 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 0.297 15.098 -21.393 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 -0.583 14.728 -21.333 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 0.467 15.168 -22.333 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 7.773 -9.143 -24.022 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 7.303 -9.933 -24.292 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 7.963 -8.683 -24.842 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -19.404 19.003 -23.979 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -19.264 18.323 -23.319 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -18.754 19.673 -23.779 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 13.963 -9.474 19.179 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 14.913 -9.584 19.059 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 13.573 -10.064 18.529 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -6.467 -8.679 9.205 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -5.847 -8.449 8.515 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -5.957 -8.629 10.015 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 -5.989 18.456 11.259 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 -6.239 19.216 11.779 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 -5.609 18.816 10.459 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 6.381 -16.635 23.679 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 7.161 -16.755 23.129 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 6.221 -17.495 24.069 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -1.207 -12.047 24.479 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -0.627 -11.287 24.419 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -0.627 -12.787 24.669 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 18.243 15.787 5.055 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 17.393 16.047 5.395 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 18.173 14.837 4.945 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 4.255 -13.949 -17.559 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 3.885 -13.279 -16.979 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 3.495 -14.329 -17.999 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 -24.575 -22.184 15.081 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 -24.055 -22.314 14.281 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 -24.805 -21.264 15.061 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.065 16.985 -6.845 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.925 17.195 -6.475 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -21.435 17.345 -6.215 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 20.072 17.804 4.629 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 19.252 18.284 4.739 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 19.822 16.884 4.729 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 -20.535 -23.615 -13.373 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 -20.905 -22.915 -13.913 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 -20.825 -24.425 -13.793 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -12.365 1.774 -10.657 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -12.555 2.174 -9.797 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -12.755 0.904 -10.607 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 -11.715 14.877 2.581 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 -11.135 14.167 2.291 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 -11.185 15.677 2.471 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 -17.899 -18.583 -2.207 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 -18.509 -17.993 -1.777 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 -17.759 -19.283 -1.577 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 7.087 24.572 -0.347 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 6.957 24.622 -1.297 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 6.577 23.812 -0.077 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -0.017 19.314 8.765 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -0.667 18.944 8.165 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -0.167 18.864 9.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -21.653 -1.436 18.411 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -22.093 -2.286 18.411 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -20.743 -1.646 18.201 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 -11.404 7.397 -9.251 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 -10.554 7.177 -9.641 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 -11.374 8.347 -9.111 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 22.025 -17.519 24.444 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 22.945 -17.239 24.424 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 22.075 -18.469 24.574 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -6.074 20.345 3.971 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -6.334 19.415 4.011 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 -5.134 20.335 4.101 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -20.267 -13.935 4.845 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.947 -14.675 4.315 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -20.847 -14.335 5.495 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 3.956 -1.485 -20.205 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 4.296 -0.635 -19.935 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 4.626 -1.835 -20.785 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 13.913 -11.386 -2.551 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 13.953 -10.476 -2.841 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 13.053 -11.696 -2.851 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -10.286 -17.228 -2.018 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -9.416 -16.838 -2.068 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -10.656 -17.108 -2.888 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 22.937 8.023 9.565 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 22.217 7.413 9.405 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 23.727 7.493 9.445 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 11.669 13.517 13.034 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 11.289 14.177 12.464 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 12.339 13.987 13.524 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -24.463 -1.743 3.287 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -23.733 -1.993 2.727 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -24.973 -1.133 2.757 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 -1.806 -24.407 13.929 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 -1.406 -24.357 14.789 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 -1.656 -25.307 13.639 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 21.105 -19.324 -18.385 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 21.075 -20.194 -17.975 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 21.935 -18.954 -18.095 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 14.894 -17.194 -6.239 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 14.054 -17.414 -6.649 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 14.664 -16.574 -5.549 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 -13.615 10.247 22.493 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 -13.865 9.667 21.773 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 -14.335 10.177 23.123 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 -17.027 6.145 -7.007 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 -16.857 6.915 -7.557 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 -16.177 5.935 -6.627 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 6.925 8.855 -17.067 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 7.025 8.735 -18.017 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 5.995 9.025 -16.937 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -23.143 0.062 6.017 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -23.153 0.312 6.937 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -23.963 -0.428 5.887 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 -18.554 23.783 -12.051 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 -17.874 23.733 -11.381 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 -19.224 24.353 -11.671 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -21.385 -9.815 -16.905 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -20.505 -9.775 -17.285 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -21.755 -10.635 -17.235 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -4.309 -18.827 -21.665 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -5.059 -19.327 -21.355 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -3.959 -19.327 -22.395 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 1.026 -8.408 -9.225 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 1.786 -7.838 -9.135 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 0.496 -7.998 -9.905 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 24.769 -16.406 -13.809 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 25.119 -16.386 -14.699 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 24.169 -17.156 -13.809 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -7.437 22.676 1.393 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -7.167 21.796 1.673 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -6.707 22.986 0.853 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 -18.476 11.143 -6.005 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 -18.026 11.823 -6.495 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 -19.046 10.713 -6.645 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 -19.729 -3.514 14.123 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 -19.269 -3.484 13.283 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 -20.609 -3.204 13.923 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 -18.073 25.132 -24.581 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 -18.953 25.042 -24.941 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 -18.163 24.952 -23.651 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 -21.844 -0.096 -15.441 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 -22.594 0.284 -14.981 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 -21.304 0.654 -15.681 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 -1.109 23.071 -15.203 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 -0.669 22.571 -14.523 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 -1.319 22.431 -15.883 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 -10.616 -24.424 16.343 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 -10.526 -25.364 16.173 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 -9.736 -24.144 16.613 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 14.842 4.769 0.308 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 15.582 5.359 0.148 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 14.922 4.089 -0.362 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -6.466 -7.875 -24.155 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -6.576 -8.825 -24.256 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -7.356 -7.525 -24.196 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 -7.038 -7.235 2.744 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 -6.108 -7.015 2.675 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 -7.488 -6.515 2.284 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 -20.365 -21.956 20.729 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 -20.105 -22.866 20.609 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 -21.165 -21.996 21.259 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 16.360 24.965 1.183 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 16.920 25.645 0.823 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 16.960 24.285 1.473 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.076 -22.395 -14.247 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 19.706 -22.125 -15.087 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.016 -22.495 -14.417 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 11.145 -1.775 -23.873 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 11.195 -2.085 -24.783 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 12.055 -1.595 -23.633 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 -4.126 -14.265 -9.833 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 -4.066 -14.095 -10.773 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 -3.766 -13.475 -9.423 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 6.752 0.374 17.278 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 7.142 0.254 18.148 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 5.842 0.094 17.388 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 0.306 -12.026 4.183 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -0.614 -12.036 4.433 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 0.756 -12.516 4.873 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 -20.614 10.987 -22.493 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 -20.554 10.687 -23.393 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 -21.314 10.447 -22.103 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 14.695 0.417 11.193 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 14.365 1.197 10.753 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 15.645 0.447 11.053 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 24.515 -13.606 13.903 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 23.945 -13.316 13.193 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 24.765 -14.496 13.663 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 0.115 6.036 2.569 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 0.745 5.346 2.349 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 0.245 6.706 1.899 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 -8.914 -11.346 -20.327 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 -9.264 -10.676 -20.917 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 -9.504 -11.336 -19.577 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 20.594 -3.930 4.675 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 21.264 -3.280 4.885 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 19.914 -3.430 4.225 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 0.795 -6.248 6.523 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 1.225 -5.758 5.823 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 -0.095 -6.398 6.203 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 -8.031 -16.224 -22.426 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 -7.831 -17.094 -22.766 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 -7.511 -16.154 -21.626 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 -13.690 3.110 17.863 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 -13.510 2.390 17.263 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 -12.840 3.500 18.043 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 8.823 18.762 -19.967 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 9.353 19.282 -20.567 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 9.273 17.912 -19.917 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 -8.194 20.463 -20.056 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 -9.134 20.633 -19.936 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 -8.134 19.503 -20.096 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 -1.816 17.737 4.889 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 -1.666 17.247 5.699 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 -1.266 17.287 4.239 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 19.762 -23.859 -11.586 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 19.372 -23.189 -12.146 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 19.332 -24.669 -11.846 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -21.479 -1.335 0.704 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -21.429 -2.025 1.364 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -21.349 -0.525 1.184 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 0.153 17.413 11.569 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 0.613 16.683 11.979 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -0.447 16.993 10.959 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 15.983 7.250 -18.454 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 16.743 7.730 -18.114 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 15.363 7.940 -18.704 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 -23.880 19.291 8.161 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 -24.470 20.011 7.921 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 -24.350 18.501 7.931 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -19.465 21.975 11.241 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -19.385 22.875 11.551 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -19.695 21.465 12.011 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -5.505 -20.345 -9.733 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -4.775 -19.915 -10.173 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -5.165 -20.585 -8.873 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -22.290 21.680 -21.222 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -22.640 21.790 -20.332 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -23.020 21.300 -21.712 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 -7.033 4.943 0.214 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 -7.213 5.833 -0.096 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 -7.893 4.613 0.494 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 19.681 -19.559 -24.785 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 20.021 -18.679 -24.935 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 18.911 -19.429 -24.225 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 -6.616 -17.515 2.809 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 -6.576 -16.555 2.809 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 -7.546 -17.725 2.689 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 9.344 0.526 18.375 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 8.924 1.326 18.065 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 10.274 0.646 18.175 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 10.802 20.951 12.875 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 11.592 20.551 12.505 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 11.092 21.801 13.185 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 11.894 -23.580 9.423 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 11.444 -22.880 8.963 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 11.354 -23.730 10.203 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 -21.084 6.062 5.591 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 -21.274 5.182 5.271 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 -21.924 6.522 5.551 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -2.191 18.932 -19.934 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -1.871 18.392 -20.654 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -2.471 19.742 -20.354 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 -2.794 -13.007 10.159 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 -1.944 -12.597 10.259 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 -3.144 -12.617 9.349 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 18.535 -20.007 14.023 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 18.665 -20.947 13.953 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 18.405 -19.717 13.123 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 -10.104 14.694 -7.487 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 -9.364 14.634 -6.867 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 -10.854 14.354 -6.997 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 -7.634 23.663 -18.584 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 -7.414 23.913 -19.484 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 -8.234 22.923 -18.684 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 -15.027 -3.776 -13.379 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 -14.227 -3.326 -13.099 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 -15.717 -3.126 -13.289 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 -16.708 9.824 -23.699 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 -16.348 10.564 -23.209 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 -17.348 10.214 -24.289 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 25.215 12.052 7.357 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 25.025 12.322 8.257 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 24.465 11.512 7.107 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 -19.123 12.385 -3.102 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 -19.713 11.925 -3.702 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 -18.323 11.855 -3.092 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -12.454 -23.020 -3.611 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.984 -23.670 -4.071 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.974 -23.520 -2.951 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 23.676 22.997 -6.211 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 24.306 22.267 -6.251 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 23.696 23.277 -5.301 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 -1.765 5.156 -16.105 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 -0.875 4.876 -16.265 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 -1.755 5.486 -15.205 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 22.435 -16.937 15.803 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 22.225 -16.617 14.923 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 23.355 -16.677 15.933 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 1.776 24.278 -24.649 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 1.666 24.208 -25.599 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 0.876 24.308 -24.309 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 -13.294 5.747 -8.016 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 -12.414 6.107 -7.986 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 -13.854 6.497 -8.236 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 4.752 -2.876 15.197 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 4.322 -2.626 14.377 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 5.622 -2.456 15.137 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -1.431 9.276 15.983 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -0.701 8.716 15.703 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -1.891 9.496 15.163 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -18.567 3.754 -4.487 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -19.037 2.934 -4.317 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -19.107 4.204 -5.147 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 -23.436 13.274 2.063 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 -23.866 12.524 2.453 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 -22.986 13.704 2.803 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 1.319 -3.113 17.745 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 1.029 -4.023 17.735 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 1.179 -2.803 16.845 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 12.943 -0.186 6.833 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 12.203 -0.756 6.613 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 13.543 -0.736 7.323 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 24.774 18.185 2.573 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 24.444 17.965 1.693 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 24.264 17.645 3.163 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 -20.478 -20.860 -15.334 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 -20.108 -20.940 -14.464 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 -19.828 -21.240 -15.914 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -12.236 -1.378 -15.342 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -12.606 -1.428 -16.222 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -12.636 -0.608 -14.952 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 -25.177 6.267 23.113 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 -24.467 5.817 23.563 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 -25.947 6.107 23.663 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 8.801 11.517 2.289 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 8.391 12.367 2.159 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 9.741 11.697 2.279 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 13.834 17.796 4.513 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 14.704 17.996 4.153 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 13.354 18.616 4.433 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 -12.484 12.555 22.889 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 -12.914 11.705 22.929 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 -13.044 13.075 22.309 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 24.979 -9.772 -5.487 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 24.459 -10.582 -5.517 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 24.369 -9.102 -5.207 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -11.236 -3.625 24.816 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.376 -4.345 24.196 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.066 -3.535 25.276 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 6.330 4.394 -13.585 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 6.810 4.814 -12.875 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 6.080 5.114 -14.165 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 2.135 5.755 16.711 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 1.215 5.745 16.971 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 2.145 5.305 15.861 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 -16.847 -7.618 1.649 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 -16.527 -6.718 1.759 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 -16.237 -8.018 1.039 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 13.697 -12.955 22.949 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 13.587 -12.675 23.859 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 14.207 -13.765 23.009 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 -7.716 5.352 -3.111 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 -7.176 4.692 -3.551 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 -7.086 6.012 -2.821 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 9.459 -21.552 24.455 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 8.509 -21.682 24.365 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 9.709 -22.152 25.165 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 20.790 -14.035 1.929 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 20.910 -13.545 1.109 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 20.440 -14.875 1.649 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 24.971 -24.101 19.117 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 25.581 -24.511 19.727 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 24.231 -24.701 19.087 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 -25.365 0.229 -4.213 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 -24.675 -0.341 -4.573 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 -25.715 0.689 -4.973 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 19.113 -22.548 4.481 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 18.763 -23.198 5.091 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 19.343 -21.798 5.031 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 -5.549 14.241 -15.449 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 -4.829 14.871 -15.379 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 -5.299 13.671 -16.179 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 24.335 1.592 19.553 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 24.335 2.302 18.913 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 24.165 2.032 20.393 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 8.333 14.591 1.945 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 9.013 15.261 2.004 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 7.673 14.861 2.574 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 11.887 -9.597 10.887 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 11.167 -8.977 10.737 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 12.607 -9.047 11.187 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 -13.973 8.374 -0.907 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 -14.503 7.664 -0.537 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 -13.793 8.954 -0.167 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 16.003 24.777 -2.022 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 15.923 24.217 -1.252 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 15.473 24.347 -2.692 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 -18.369 -23.319 -22.052 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 -17.629 -22.769 -22.332 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 -19.109 -22.989 -22.562 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 4.190 -0.533 3.131 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 4.580 0.247 2.721 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 4.540 -0.523 4.021 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 15.764 7.824 22.071 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 15.274 7.214 21.501 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 16.344 8.294 21.471 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 15.744 -17.944 13.775 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 16.634 -17.604 13.685 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 15.804 -18.594 14.475 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 20.554 10.495 6.691 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 19.864 9.995 7.131 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 20.364 11.415 6.901 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 9.803 -4.576 9.965 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 9.743 -5.196 10.695 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 10.673 -4.196 10.045 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 23.810 -1.658 9.638 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 23.200 -2.238 9.168 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 23.800 -1.988 10.538 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 -24.463 8.334 14.935 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 -24.473 9.204 15.345 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 -23.733 8.364 14.325 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 6.916 -21.440 -22.201 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 7.136 -21.890 -23.011 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 7.666 -21.600 -21.631 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 -15.085 -4.388 20.527 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 -15.275 -5.308 20.397 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 -15.375 -3.958 19.717 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 4.223 6.629 -13.659 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 5.043 6.849 -14.099 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 4.223 7.169 -12.869 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 18.465 15.717 17.855 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 17.995 16.547 17.765 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 19.385 15.947 17.745 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 -7.935 7.164 18.489 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 -7.255 6.724 17.979 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 -8.705 7.144 17.929 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 -18.357 -6.886 7.708 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 -17.907 -6.186 8.178 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 -19.177 -7.006 8.198 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 15.323 -23.247 -3.339 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 15.413 -23.877 -2.629 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 15.723 -22.447 -3.009 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -12.527 22.956 16.365 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -12.297 22.576 15.525 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -12.867 23.826 16.155 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -18.264 -21.307 10.443 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -17.944 -21.917 11.113 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 -18.814 -20.687 10.933 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 2.984 -18.014 1.979 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 2.084 -18.024 1.679 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 3.264 -18.924 1.979 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 2.769 -18.788 10.967 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 2.509 -19.708 10.857 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 3.729 -18.818 10.967 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -15.994 2.721 -3.171 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -16.514 2.821 -3.961 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -16.614 2.861 -2.451 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 12.449 -5.266 -10.567 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 12.059 -6.116 -10.377 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 11.999 -4.656 -9.987 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 13.634 -9.547 24.815 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 13.634 -9.467 25.765 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 14.214 -8.847 24.515 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 3.743 14.305 -0.927 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 3.503 15.225 -0.897 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.433 13.995 -1.767 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -8.930 22.220 -2.629 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -9.720 22.730 -2.479 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -8.310 22.530 -1.969 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -0.904 -25.084 10.529 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -1.664 -25.524 10.899 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -1.104 -24.144 10.609 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 -13.713 -15.444 5.161 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 -13.953 -16.234 4.671 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 -13.733 -14.744 4.501 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -22.124 -0.416 -2.407 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -22.304 -0.096 -1.517 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -21.924 -1.336 -2.297 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 -13.328 -21.937 -23.559 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 -13.088 -21.597 -24.419 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 -12.908 -21.347 -22.939 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -24.695 -18.318 -1.772 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -24.185 -19.028 -2.152 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -24.065 -17.618 -1.632 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 17.964 5.275 -20.043 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 18.344 5.975 -19.523 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 17.154 5.045 -19.583 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 21.129 10.803 -20.125 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 20.969 9.983 -20.575 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 20.319 11.293 -20.215 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -1.527 15.948 10.075 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -2.417 15.838 9.755 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -1.257 15.078 10.355 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 -0.627 -8.432 16.601 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 -0.047 -8.662 15.881 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 -0.117 -7.802 17.121 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -12.309 4.363 -3.753 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -12.209 3.473 -4.083 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -11.599 4.853 -4.163 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 -23.445 23.903 -12.376 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 -24.065 23.383 -12.876 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 -22.855 24.273 -13.026 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 -6.384 -16.987 9.264 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 -6.964 -17.637 9.654 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 -5.824 -16.697 9.984 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 3.514 -23.157 8.175 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.634 -22.767 8.115 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 3.744 -23.387 7.275 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 -22.436 -15.535 15.485 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 -21.606 -15.565 15.965 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 -22.566 -14.605 15.285 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 -5.126 -22.860 18.133 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 -5.686 -23.630 18.263 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 -4.486 -22.910 18.853 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -15.186 24.162 5.633 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -15.696 24.872 5.243 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -14.466 24.592 6.083 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -17.817 -16.126 -0.149 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -17.177 -16.716 0.261 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -17.367 -15.786 -0.919 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -17.417 2.215 -1.099 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -18.147 1.865 -1.599 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -17.337 1.625 -0.349 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 -13.963 -9.838 -8.566 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 -14.613 -10.218 -7.986 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 -14.263 -10.078 -9.446 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 -18.884 9.256 -3.712 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 -18.194 8.586 -3.742 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 -18.644 9.876 -4.402 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 5.441 24.543 -21.633 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 6.361 24.833 -21.673 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 5.381 23.853 -22.293 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 22.783 8.485 -16.187 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 21.853 8.275 -16.107 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 23.073 8.605 -15.277 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 -23.771 19.490 0.827 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 -23.461 19.160 1.667 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 -24.701 19.680 0.967 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -3.957 7.744 -20.723 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -3.887 7.434 -21.623 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -4.687 8.364 -20.743 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 15.309 -6.849 -21.077 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 14.409 -7.089 -21.287 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 15.399 -7.029 -20.147 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 -6.003 -10.856 -1.103 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 -5.173 -11.166 -0.743 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 -6.003 -11.186 -2.003 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 17.366 -11.157 2.083 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 17.106 -11.097 3.003 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 18.026 -11.847 2.063 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 2.392 -23.318 -20.413 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 2.652 -23.428 -21.323 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 3.062 -22.738 -20.033 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 -23.933 16.045 10.333 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 -24.843 16.075 10.043 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 -23.583 15.235 9.963 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 24.139 -2.429 -21.497 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 23.369 -1.989 -21.137 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 24.639 -1.739 -21.917 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 24.123 -7.147 -0.627 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 23.363 -7.657 -0.887 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 23.863 -6.717 0.193 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 -1.196 5.336 -4.442 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 -1.446 4.636 -5.042 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 -1.646 6.116 -4.772 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -18.293 17.157 0.600 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -17.793 16.347 0.510 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -17.673 17.797 0.940 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -7.497 23.967 -8.201 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -8.197 24.227 -8.801 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -7.507 24.647 -7.521 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -3.933 -12.366 23.713 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -4.023 -12.856 22.893 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -3.213 -11.756 23.553 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -8.483 9.886 6.701 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -7.553 10.076 6.771 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -8.583 9.036 7.151 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 13.325 -2.267 16.478 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 13.685 -3.127 16.708 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 14.065 -1.787 16.108 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -19.919 -9.005 -21.949 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -20.419 -8.515 -21.299 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -20.499 -9.715 -22.219 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -9.865 -14.259 -6.113 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -9.285 -13.899 -5.453 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -9.615 -13.829 -6.933 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -12.093 17.874 14.194 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -11.743 17.744 13.304 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -11.473 18.484 14.595 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 12.874 -17.535 11.797 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 12.504 -18.145 12.437 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 13.674 -17.955 11.487 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 -24.630 17.085 6.637 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 -23.770 16.735 6.417 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 -24.750 17.825 6.037 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 -3.810 4.462 -7.015 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 -3.890 5.282 -7.495 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 -3.120 3.982 -7.485 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.796 -4.177 3.619 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 17.166 -4.717 4.319 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.056 -3.727 4.029 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -9.966 5.804 -6.849 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -9.436 5.524 -7.599 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -10.076 6.744 -6.969 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 -18.005 7.042 -14.269 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 -18.695 6.862 -14.909 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 -17.575 6.192 -14.139 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -3.367 15.661 -24.829 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -3.297 14.781 -24.439 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -4.297 15.861 -24.799 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 7.255 -2.296 14.079 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 7.525 -1.906 13.249 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 7.645 -1.726 14.739 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -4.449 -12.634 7.424 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -4.959 -12.204 6.735 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -3.549 -12.624 7.084 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 5.205 12.626 1.253 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 4.835 11.766 1.453 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 4.715 12.916 0.483 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 8.333 8.315 1.348 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 8.573 9.155 1.758 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 9.003 7.705 1.658 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -3.715 0.865 23.911 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -4.475 0.295 24.051 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -2.965 0.265 23.871 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -6.676 -15.485 -4.052 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -7.216 -16.255 -4.272 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -7.096 -15.115 -3.272 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 2.330 20.654 -3.316 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 1.550 21.054 -3.706 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 2.000 20.134 -2.586 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 23.592 17.327 -20.386 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 24.312 16.787 -20.046 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 23.532 18.057 -19.776 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 18.954 -17.954 -2.113 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 19.384 -18.794 -2.263 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 18.254 -17.924 -2.763 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 22.435 -10.954 22.584 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 22.495 -11.034 23.534 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 21.615 -10.494 22.434 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 15.282 4.663 -20.051 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 14.622 4.123 -19.641 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 15.092 5.553 -19.751 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 11.281 -23.167 -0.085 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 11.571 -23.727 -0.805 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 12.041 -23.087 0.485 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 22.071 -1.483 18.595 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 22.391 -1.943 17.825 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 22.721 -1.683 19.275 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 13.726 3.913 11.724 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 14.336 3.543 11.084 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 13.106 3.213 11.894 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 6.989 -3.434 2.823 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 7.699 -4.024 3.083 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 6.629 -3.824 2.023 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 -20.705 -3.986 3.561 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 -21.045 -4.116 2.671 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 -19.755 -4.006 3.461 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 17.126 24.737 21.665 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 16.326 25.007 21.215 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 17.616 24.247 21.005 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 13.736 22.748 2.451 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.666 22.818 2.651 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.436 23.648 2.381 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -14.178 -25.098 8.348 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -13.318 -24.918 8.728 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -14.798 -24.778 8.998 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 10.544 15.043 10.701 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 11.304 15.633 10.671 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 9.804 15.613 10.891 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 3.271 11.337 -2.105 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 4.051 11.057 -1.625 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 2.821 10.517 -2.325 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 1.481 5.020 9.701 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 0.711 4.600 9.311 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 1.511 4.680 10.601 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -14.531 -11.156 6.161 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -15.311 -10.846 5.691 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -13.821 -11.056 5.521 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 23.443 -17.255 -8.672 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 23.103 -16.395 -8.942 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 23.443 -17.775 -9.472 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -7.084 10.255 -6.762 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -6.394 10.005 -7.382 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -7.044 9.595 -6.082 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 20.013 -15.380 -0.576 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 20.443 -15.630 -1.396 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 19.203 -14.950 -0.846 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 22.003 20.205 -23.507 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 21.403 19.935 -22.807 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 22.173 21.125 -23.337 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -14.025 -2.978 11.031 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -14.345 -2.448 11.761 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -14.785 -3.078 10.451 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 -13.136 13.560 -8.805 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 -13.876 14.090 -8.495 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 -12.366 14.070 -8.565 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 20.663 17.913 23.809 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 19.853 18.413 23.919 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 20.813 17.513 24.669 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 22.522 5.477 23.337 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 22.522 5.927 24.177 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 22.772 4.577 23.537 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -7.004 14.704 -8.899 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.464 15.374 -8.489 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -7.744 14.584 -8.299 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 23.222 3.134 -16.881 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 22.572 2.934 -16.211 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 23.402 4.074 -16.771 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 8.541 22.947 -2.919 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 8.531 22.067 -2.539 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 9.451 23.217 -2.889 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 0.775 -7.728 -12.133 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 0.825 -7.618 -13.083 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 0.315 -8.558 -12.003 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 18.779 13.406 -4.587 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 18.519 12.526 -4.847 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 18.179 13.636 -3.877 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.632 13.364 17.584 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 15.412 13.674 18.044 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 14.742 13.654 16.684 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 9.261 22.236 -0.472 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 8.911 21.906 0.358 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 8.801 23.066 -0.612 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 -17.106 22.113 -2.095 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 -17.846 21.903 -2.665 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 -17.256 21.583 -1.315 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -20.391 12.392 13.849 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -20.701 11.512 14.039 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -19.741 12.272 13.159 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 0.977 -25.186 14.368 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 0.857 -24.886 13.468 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 1.917 -25.336 14.448 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 12.684 -14.308 10.301 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 13.064 -14.598 9.471 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 12.004 -13.688 10.041 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 -0.754 22.115 9.571 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 -0.774 21.285 10.051 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 -0.904 22.785 10.251 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 21.142 -21.006 -2.975 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 20.732 -21.286 -2.165 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 21.752 -20.316 -2.715 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 -21.136 20.345 -11.043 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 -21.586 19.535 -10.823 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 -21.826 21.015 -10.993 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -20.095 9.444 5.283 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -20.695 9.894 5.893 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -20.395 8.534 5.283 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -18.115 6.735 9.821 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -19.035 6.705 10.051 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -17.665 6.975 10.641 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 12.003 4.407 0.043 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 12.373 3.907 -0.687 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 12.763 4.827 0.463 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 25.312 10.679 16.768 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 24.592 11.019 16.238 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 24.922 10.539 17.638 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 11.685 -8.704 -2.489 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 12.445 -8.164 -2.299 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 11.565 -9.254 -1.719 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 17.043 1.027 16.852 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 16.793 0.127 17.052 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 17.373 0.987 15.952 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -10.178 -21.583 -19.199 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -10.408 -22.273 -19.829 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -10.988 -21.393 -18.739 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 -11.755 -9.885 -22.243 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 -11.975 -9.295 -22.963 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 -12.545 -10.415 -22.123 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 16.199 18.478 -21.955 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 15.249 18.488 -22.105 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 16.459 17.568 -22.125 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 -10.187 21.343 -23.011 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 -10.497 20.453 -22.841 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 -9.637 21.263 -23.791 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 -4.435 7.415 -14.765 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 -5.275 7.745 -15.086 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 -4.135 6.825 -15.456 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 12.449 22.912 6.773 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 12.339 23.522 6.053 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 13.399 22.872 6.923 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 -10.325 16.627 9.251 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 -10.875 15.847 9.181 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 -10.825 17.217 9.811 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 17.827 10.798 13.073 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 18.177 11.558 13.543 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 18.527 10.148 13.113 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 -24.258 17.402 20.715 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 -24.268 17.112 19.815 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 -24.538 18.322 20.675 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -10.671 -20.234 -3.033 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -11.191 -19.434 -3.063 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -11.071 -20.814 -3.683 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.112 24.267 -10.588 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 6.442 23.627 -10.818 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 7.692 23.817 -9.988 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 -19.051 -20.408 7.715 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 -19.131 -20.988 8.485 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 -19.791 -20.648 7.155 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 23.076 -19.393 -21.247 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 22.256 -19.863 -21.107 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 23.316 -19.583 -22.157 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 -23.925 2.373 4.515 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 -23.295 1.783 4.925 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 -24.245 1.893 3.745 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 8.682 13.076 -0.213 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 9.592 13.356 -0.273 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 8.302 13.616 0.477 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 22.805 -1.088 -11.459 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 22.875 -0.598 -12.279 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 21.955 -0.818 -11.099 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 13.306 -15.554 15.274 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 13.236 -16.244 15.944 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 14.216 -15.594 14.984 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -0.965 18.773 14.905 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -0.785 18.503 15.805 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -0.945 19.733 14.935 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 8.506 14.054 13.195 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 8.046 14.174 14.014 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 8.736 14.944 12.915 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 7.785 14.215 8.107 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 7.925 13.285 7.917 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 8.515 14.655 7.667 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 -3.284 3.075 -18.499 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 -3.324 2.535 -17.709 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 -4.204 3.245 -18.719 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 2.776 -2.206 9.774 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 1.946 -2.166 10.234 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 2.846 -3.106 9.474 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 -9.188 24.105 -0.533 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 -8.468 23.935 0.077 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 -9.968 24.145 0.017 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 -3.963 17.965 18.933 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 -3.843 17.955 19.883 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 -4.863 18.275 18.813 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 23.584 -9.355 -25.099 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 23.974 -9.115 -24.259 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 23.084 -8.575 -25.359 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 19.214 3.292 -17.049 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 19.884 3.142 -16.389 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 18.894 4.172 -16.869 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 21.917 4.612 6.867 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 21.087 5.082 6.967 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 22.117 4.292 7.737 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 24.541 -17.467 -11.547 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 24.671 -18.377 -11.827 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 24.661 -16.957 -12.347 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 22.616 0.506 -2.539 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 23.316 0.556 -3.189 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 22.796 1.226 -1.929 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -10.555 21.872 1.441 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -10.835 22.142 2.321 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -9.705 21.442 1.591 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 16.144 16.731 6.408 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 16.084 16.991 7.318 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 15.414 16.121 6.278 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -2.304 -18.956 6.215 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -2.634 -19.396 7.005 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -1.764 -18.236 6.555 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -20.388 13.897 -22.629 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -20.898 13.967 -23.439 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -19.868 13.097 -22.739 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 17.454 18.007 -5.341 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 18.394 18.117 -5.491 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 17.044 18.687 -5.891 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 21.693 17.471 7.601 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 21.843 16.721 7.031 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 20.753 17.441 7.801 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 1.297 -16.914 -20.625 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 0.797 -17.574 -20.155 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 1.657 -17.374 -21.385 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 12.164 5.865 -10.915 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 12.804 6.415 -10.465 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 12.684 5.345 -11.535 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 22.316 -9.563 -5.233 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 22.296 -10.233 -4.553 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 22.016 -10.023 -6.023 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 9.977 7.144 -8.942 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 10.587 7.854 -9.132 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 9.737 6.794 -9.802 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -10.543 -5.692 -17.095 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -10.833 -5.672 -16.185 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -9.963 -4.932 -17.175 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 12.470 15.544 -7.926 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 13.010 16.284 -7.636 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 11.610 15.694 -7.536 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 1.457 -5.429 11.983 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 0.777 -5.689 11.363 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 1.127 -5.709 12.833 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 22.696 -17.337 19.433 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 22.596 -18.157 18.953 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 21.836 -16.917 19.383 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 4.344 1.892 22.902 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 3.454 1.922 22.552 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 4.834 2.522 22.382 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 17.844 -6.445 -15.525 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 18.584 -6.905 -15.915 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 17.444 -7.075 -14.935 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 8.535 -1.848 -7.439 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 8.755 -2.778 -7.379 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 7.745 -1.758 -6.899 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -18.255 1.332 -10.166 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -17.335 1.172 -9.966 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -18.735 0.732 -9.586 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 19.073 10.314 23.352 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 18.643 9.864 24.072 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 18.863 11.244 23.482 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 20.051 -9.747 20.484 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 20.941 -9.477 20.724 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 19.981 -9.527 19.554 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 21.446 -9.600 -12.801 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 22.006 -9.750 -12.041 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 21.066 -8.740 -12.651 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 -15.164 -18.123 -13.251 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 -15.494 -18.933 -13.651 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 -14.254 -18.333 -13.041 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -24.263 6.431 -0.720 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -25.053 6.961 -0.820 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -23.633 6.831 -1.310 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 -7.647 -9.694 -13.873 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 -7.927 -10.544 -14.193 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 -8.437 -9.304 -13.493 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 20.075 22.685 -7.805 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 19.815 23.585 -7.615 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 19.895 22.575 -8.745 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 -8.538 -2.668 -5.612 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 -7.598 -2.818 -5.622 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 -8.858 -3.198 -4.882 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 14.955 -15.181 18.641 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 15.065 -14.421 18.071 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 15.245 -15.931 18.111 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -12.670 -24.115 -8.147 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -12.390 -24.225 -7.237 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -13.530 -24.525 -8.177 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -22.484 16.946 -24.715 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -22.914 17.796 -24.725 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -22.784 16.506 -25.515 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 21.870 15.042 6.495 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 22.300 15.652 5.885 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 21.330 14.492 5.935 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 23.272 10.002 7.261 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 23.092 9.462 8.031 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 22.432 10.042 6.791 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 -15.626 3.597 13.823 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 -15.026 2.857 13.753 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 -15.336 4.207 13.143 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -21.137 24.404 -14.429 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -20.317 24.374 -13.939 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -20.937 23.974 -15.259 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 -8.007 1.059 -5.847 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 -8.047 0.119 -5.637 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 -7.687 1.469 -5.047 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 5.124 4.713 -0.067 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 5.874 4.243 -0.437 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 5.514 5.283 0.603 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 22.906 -14.165 22.559 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 23.416 -14.665 21.929 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 22.016 -14.515 22.479 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -7.879 -20.168 12.910 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -7.619 -20.638 12.130 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -8.559 -19.558 12.620 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 17.269 -22.345 -22.141 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 16.329 -22.265 -22.321 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 17.679 -21.685 -22.701 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 14.644 -23.425 -23.373 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 14.174 -22.605 -23.503 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 15.244 -23.485 -24.113 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -4.678 -3.968 -24.035 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -5.368 -3.818 -23.395 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.908 -3.508 -23.695 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 22.152 -22.256 -5.335 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 21.712 -21.876 -4.585 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 21.662 -23.056 -5.535 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 -23.136 -1.839 -7.943 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 -23.996 -1.859 -8.353 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 -23.306 -1.599 -7.033 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 7.265 22.813 -8.143 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 7.435 23.583 -7.603 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 6.555 22.353 -7.693 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 10.460 9.983 14.639 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 9.630 10.303 14.299 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 10.990 10.773 14.759 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 -19.468 25.098 -5.423 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 -20.168 24.448 -5.383 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 -19.618 25.658 -4.663 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 9.053 22.833 -17.532 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 9.593 23.583 -17.802 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 8.773 22.433 -18.352 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 6.112 -22.896 3.707 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 6.282 -22.046 4.117 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 6.512 -22.836 2.847 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 10.081 21.845 -8.122 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 10.431 22.445 -7.452 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 9.191 22.165 -8.292 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 10.344 -7.337 -6.922 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 9.834 -7.887 -6.332 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 10.754 -7.947 -7.522 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -8.075 8.522 -14.893 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -8.935 8.382 -15.303 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -8.265 9.032 -14.113 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 16.465 10.184 1.937 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 15.995 9.814 2.687 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 17.325 9.764 1.957 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 16.140 4.097 -14.045 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 16.740 4.817 -14.215 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 16.160 3.567 -14.845 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 -23.177 13.141 -3.147 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 -23.827 12.441 -3.227 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 -22.437 12.841 -3.657 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 23.367 17.886 -17.583 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 22.577 17.386 -17.763 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 23.397 17.956 -16.633 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 17.262 -16.525 20.463 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 17.332 -15.575 20.553 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 17.952 -16.765 19.843 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 1.162 -15.434 -13.923 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 0.392 -15.954 -13.703 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 0.812 -14.684 -14.413 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 -7.313 -0.253 8.293 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 -7.003 0.187 7.493 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 -7.653 -1.093 7.993 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -1.135 21.962 0.944 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -1.205 22.902 1.114 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -0.855 21.592 1.784 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 20.660 -5.023 -24.186 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 20.300 -5.823 -23.806 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 21.520 -4.923 -23.766 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 -0.948 12.704 -22.083 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 -1.328 13.174 -21.353 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 -1.208 11.784 -21.943 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 2.894 24.193 -18.403 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 2.834 24.433 -17.483 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 3.704 23.683 -18.463 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 -13.497 0.832 -14.982 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 -14.157 0.462 -15.572 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 -13.997 1.422 -14.412 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 -19.043 3.784 -24.623 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 -18.113 3.664 -24.423 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 -19.303 2.984 -25.073 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 -22.945 -2.340 -15.906 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 -23.275 -2.630 -15.056 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 -22.425 -1.560 -15.716 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 3.544 12.671 22.962 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 2.934 13.391 23.112 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 4.334 13.101 22.632 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 10.742 -16.397 -16.696 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 11.042 -17.167 -16.216 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 9.802 -16.547 -16.826 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 -14.417 12.131 -5.517 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 -15.207 11.961 -6.037 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 -14.197 11.281 -5.137 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 -14.755 5.181 -13.406 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 -14.075 4.841 -13.986 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 -14.295 5.411 -12.596 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 16.797 -11.223 -9.956 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 17.087 -10.853 -9.125 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 17.297 -10.753 -10.626 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 20.357 -11.771 3.515 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 20.487 -12.641 3.125 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 21.017 -11.221 3.085 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 -5.124 23.637 -15.507 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 -4.854 23.537 -16.417 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 -4.634 22.957 -15.037 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 14.751 -15.647 -3.653 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 14.251 -15.187 -2.983 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 15.601 -15.207 -3.653 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 25.105 -21.465 23.101 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 24.145 -21.455 23.071 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 25.355 -20.545 23.111 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 0.716 -22.184 -6.577 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 -0.134 -22.004 -6.967 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 0.516 -22.424 -5.667 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 7.107 9.831 22.221 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 6.317 9.761 21.691 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 7.077 9.061 22.801 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 24.241 -9.564 -19.655 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 24.481 -10.044 -18.875 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 25.011 -9.044 -19.875 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 3.142 20.335 -18.839 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 3.192 19.725 -19.579 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 3.992 20.775 -18.829 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -16.564 -3.547 9.979 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.914 -3.667 9.099 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -16.394 -4.427 10.299 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -11.558 4.006 10.661 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -12.448 4.376 10.681 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -11.528 3.496 9.861 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 1.304 14.343 24.429 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 0.434 13.953 24.299 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 1.684 13.853 25.159 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 7.333 17.731 -8.833 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 8.153 17.271 -8.983 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 6.813 17.571 -9.623 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 10.953 -11.496 1.610 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 10.263 -10.836 1.690 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 11.093 -11.796 2.500 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 7.796 -17.578 -2.301 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 7.636 -17.088 -3.111 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 8.266 -18.368 -2.591 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 24.426 -11.456 7.669 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 23.886 -10.946 7.059 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 25.216 -10.936 7.779 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 14.031 11.984 8.269 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 13.851 11.604 7.409 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 13.221 12.434 8.519 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 19.623 25.083 9.967 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 19.493 24.143 9.927 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 18.803 25.463 9.637 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.004 -24.426 -3.683 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 11.294 -25.246 -3.273 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 11.154 -24.566 -4.623 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 -12.047 -20.888 7.949 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 -12.147 -21.628 7.359 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 -11.427 -21.188 8.609 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 -2.361 16.205 23.231 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 -2.581 16.135 24.161 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 -1.931 15.375 23.021 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 10.234 -24.158 -16.495 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 10.854 -23.438 -16.605 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 9.944 -24.368 -17.385 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 -18.914 -12.154 -9.311 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 -18.484 -11.874 -8.501 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 -18.294 -12.764 -9.711 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 23.402 2.415 4.667 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 23.252 3.065 5.347 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 24.022 2.825 4.067 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 14.356 12.422 -21.636 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 14.926 13.182 -21.526 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 13.476 12.772 -21.616 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 22.301 -0.995 -19.957 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 22.581 -0.465 -19.207 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 21.441 -0.635 -20.197 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 -11.244 10.212 18.931 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 -10.384 9.972 19.291 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 -11.304 11.152 19.091 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -15.679 -19.259 -22.517 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -14.819 -18.849 -22.397 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -16.299 -18.609 -22.197 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 3.231 9.106 -12.848 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 3.981 9.456 -12.388 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 3.351 9.396 -13.758 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 8.130 1.716 -3.513 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 8.520 0.856 -3.653 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 8.830 2.336 -3.703 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 -19.680 21.146 5.664 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 -19.330 22.026 5.494 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 -18.960 20.556 5.464 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 18.842 16.141 -15.343 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 18.872 15.201 -15.483 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 18.762 16.241 -14.393 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -9.833 -22.256 -16.613 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -9.953 -21.896 -17.493 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -9.933 -21.506 -16.023 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 -16.133 21.993 -5.267 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 -16.793 22.493 -5.737 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 -16.623 21.303 -4.807 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 -6.903 -21.640 -17.171 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -7.413 -22.440 -17.061 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 -7.543 -20.990 -17.471 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 -22.556 20.685 20.485 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 -23.186 21.375 20.705 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 -23.096 19.975 20.155 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 -7.616 24.865 -5.487 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 -8.196 25.635 -5.517 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 -7.336 24.815 -4.577 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 15.125 5.773 -6.269 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 15.065 5.103 -6.939 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 16.065 5.883 -6.109 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 10.823 15.575 -23.026 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 11.423 15.825 -23.726 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 11.383 15.325 -22.296 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 -18.997 -10.100 22.168 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 -18.357 -10.240 22.858 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 -19.247 -10.980 21.878 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 3.201 -16.114 10.577 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 3.611 -15.664 9.837 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 3.101 -17.014 10.277 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 3.945 7.744 16.395 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 3.555 8.364 17.015 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 3.215 7.244 16.055 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 -4.955 -14.464 4.264 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 -5.705 -14.834 3.794 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 -4.765 -15.104 4.954 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 -13.348 -7.348 -7.372 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 -13.648 -8.178 -7.762 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 -12.698 -7.618 -6.722 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 5.606 -6.628 10.013 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 5.796 -5.888 10.593 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 6.116 -6.468 9.223 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 24.894 -16.953 -24.913 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 25.144 -16.093 -25.243 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 24.224 -16.773 -24.243 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 -17.758 -15.996 18.329 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 -16.988 -16.566 18.299 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 -17.408 -15.126 18.509 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 22.029 5.692 10.689 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 21.239 6.172 10.929 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 22.679 5.962 11.339 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -2.025 23.485 12.564 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -2.905 23.845 12.554 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -1.975 22.985 13.374 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 17.237 14.800 24.424 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 16.427 14.810 24.934 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 17.857 15.310 24.944 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.156 -9.574 23.861 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 10.806 -10.454 23.981 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.096 -9.674 23.991 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.371 0.936 14.052 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.771 1.546 13.432 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.051 1.496 14.762 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.418 6.493 17.351 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -17.758 6.833 16.751 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.178 7.073 17.241 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -23.864 12.484 -9.171 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -23.114 12.044 -9.571 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -23.914 13.324 -9.621 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -16.550 -14.041 6.431 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -16.900 -13.161 6.311 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -16.590 -14.441 5.571 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -16.391 -1.304 11.849 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -16.721 -0.554 12.349 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -15.771 -0.924 11.229 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 -17.808 -0.165 -6.939 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 -18.498 -0.835 -6.869 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 -17.108 -0.595 -7.419 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -14.995 -10.651 -14.131 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -15.915 -10.531 -13.881 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -15.035 -10.951 -15.041 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 14.350 3.573 5.865 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 13.650 4.043 6.305 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 14.610 4.143 5.145 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 0.354 21.695 -4.659 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 -0.176 22.455 -4.439 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 -0.056 21.335 -5.449 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 -17.636 -14.875 -3.745 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 -18.426 -15.085 -4.235 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 -17.006 -14.585 -4.405 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 0.203 -25.093 8.121 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 -0.127 -25.223 9.011 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 1.153 -25.223 8.201 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 -18.316 23.241 17.825 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 -19.046 23.311 17.205 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 -18.726 23.311 18.685 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 -4.376 21.463 17.909 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 -4.196 20.543 18.079 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 -4.406 21.543 16.959 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -6.216 18.691 -14.652 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -6.356 18.621 -13.712 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 -6.956 19.211 -14.972 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 3.202 18.981 -14.401 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 3.042 19.721 -14.981 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 2.382 18.491 -14.391 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 3.506 -24.266 -22.679 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 3.916 -24.866 -22.059 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 2.866 -24.796 -23.149 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 10.246 -2.040 -14.616 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 11.026 -1.550 -14.866 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 10.296 -2.120 -13.666 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -9.386 15.883 -22.309 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -10.116 15.533 -22.829 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -9.556 15.563 -21.419 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 17.611 -9.822 13.273 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 16.851 -9.822 12.693 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 18.231 -10.422 12.863 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 0.002 13.224 3.329 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 0.872 13.624 3.259 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 0.112 12.354 2.939 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -13.096 -8.136 5.991 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -12.716 -7.526 6.621 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -13.486 -7.576 5.321 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 13.182 16.457 24.873 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 13.032 15.517 24.813 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 14.112 16.547 25.083 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 22.053 -2.557 12.745 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 22.973 -2.287 12.715 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 22.083 -3.507 12.885 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 21.455 -10.377 8.689 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 22.165 -10.157 9.289 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 21.895 -10.697 7.899 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 4.939 -14.618 16.983 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 4.959 -15.328 16.333 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 4.439 -14.978 17.713 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 -1.687 -4.904 -8.119 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 -1.077 -5.134 -8.809 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 -1.447 -5.474 -7.389 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 17.154 10.335 10.204 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 17.234 9.615 10.834 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 16.864 11.085 10.724 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -23.876 -16.604 -20.829 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -23.666 -15.944 -20.179 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -24.786 -16.854 -20.649 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -18.365 -0.608 17.457 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -18.995 -0.498 16.747 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -17.745 0.112 17.347 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 9.097 -2.864 17.093 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 9.227 -2.124 16.493 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 8.607 -2.494 17.823 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -12.880 20.955 9.497 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -13.640 20.455 9.187 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 -12.130 20.455 9.167 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -15.746 -22.955 6.713 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -16.696 -23.075 6.673 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -15.546 -22.995 7.653 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 -18.493 2.827 19.189 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 -19.333 2.897 18.729 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 -17.993 3.587 18.899 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 5.886 -0.793 11.933 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 5.096 -1.133 12.353 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 5.936 0.117 12.233 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -14.395 5.991 24.525 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -15.115 6.011 23.895 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -14.075 5.091 24.485 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -4.939 23.405 0.861 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -4.639 22.865 1.591 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -5.299 24.195 1.281 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 2.386 21.644 0.037 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 1.586 21.574 0.547 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 3.026 22.014 0.637 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 23.814 19.505 6.579 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 23.844 20.155 7.279 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 23.694 18.675 7.029 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.996 1.412 20.999 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -12.696 1.632 21.609 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.906 0.462 21.079 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -17.647 -3.704 6.836 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -16.897 -3.814 6.266 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -18.037 -2.864 6.586 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 22.752 -21.616 5.384 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 23.062 -20.906 4.834 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 23.152 -22.406 5.024 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -23.505 6.923 17.564 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -23.935 7.563 18.134 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -23.635 6.083 18.014 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 -14.406 -21.739 13.525 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 -13.856 -22.069 12.815 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 -13.786 -21.429 14.175 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 -16.527 -4.225 -15.939 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 -15.837 -4.245 -15.279 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 -17.337 -4.305 -15.439 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 20.284 -4.025 18.509 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 20.144 -3.805 19.429 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 20.734 -3.265 18.149 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 5.343 -19.285 24.372 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 4.863 -19.515 25.182 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 5.453 -20.115 23.922 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 -8.966 25.127 23.209 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 -9.646 24.777 23.779 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 -8.816 24.427 22.569 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 23.850 -5.943 -7.119 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 24.220 -6.753 -7.479 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 23.380 -6.223 -6.329 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 -2.549 18.977 -8.722 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 -2.769 19.187 -9.632 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 -3.379 18.707 -8.332 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 -0.247 15.855 1.464 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 -0.527 15.625 0.574 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 0.203 15.065 1.784 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -23.036 2.285 20.789 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -22.466 1.585 20.479 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -23.746 2.315 20.139 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 18.877 6.896 -8.251 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 18.467 7.466 -7.591 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 18.647 6.016 -7.971 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 8.296 -18.593 -23.171 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 7.906 -19.243 -23.741 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 9.206 -18.543 -23.441 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 3.891 -23.418 0.023 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 3.241 -23.938 -0.447 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 4.001 -22.628 -0.507 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 16.861 17.133 14.529 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 17.071 16.213 14.699 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 16.991 17.573 15.369 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 9.032 -25.557 21.364 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 8.292 -25.047 21.694 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 9.192 -25.207 20.494 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 10.406 7.045 5.785 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 11.216 7.465 5.485 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 10.536 6.935 6.725 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 16.005 -3.259 7.599 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 16.615 -2.539 7.759 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 15.225 -3.029 8.099 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -13.777 4.735 21.485 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -13.907 4.285 20.645 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -14.667 4.915 21.795 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -6.083 21.491 -24.096 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -6.143 22.381 -23.746 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -6.013 20.941 -23.316 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 24.366 -21.685 -3.539 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 24.186 -20.815 -3.189 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 23.806 -21.775 -4.299 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 24.674 -1.703 -14.991 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 25.014 -0.813 -15.031 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 23.814 -1.623 -14.561 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 -25.236 -19.627 13.901 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 -25.026 -20.117 13.101 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 -24.416 -19.207 14.151 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -18.487 11.951 25.473 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -18.967 12.561 24.923 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -18.177 11.271 24.863 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 -22.258 -20.779 -18.286 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 -21.908 -21.629 -18.556 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 -22.618 -20.399 -19.086 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 -18.955 -5.496 -0.241 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 -18.065 -5.586 -0.591 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 -19.515 -5.906 -0.911 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 23.773 -20.275 -23.783 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 24.383 -19.675 -24.223 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 24.323 -20.985 -23.463 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 -23.737 -9.339 -2.583 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 -24.257 -8.839 -3.213 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 -23.457 -10.119 -3.073 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 -24.671 -19.508 -17.387 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 -25.241 -20.258 -17.557 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 -23.791 -19.818 -17.577 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 -0.231 8.017 19.439 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 0.169 8.747 19.909 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 -1.051 7.847 19.909 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 -11.313 25.055 -25.125 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 -11.503 24.485 -24.385 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 -12.143 25.145 -25.585 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 -17.664 -17.186 -12.089 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 -17.784 -16.276 -12.349 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 -16.794 -17.416 -12.399 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 -17.084 -4.476 -2.362 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 -17.224 -5.306 -2.812 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 -16.134 -4.386 -2.312 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 15.884 17.370 24.523 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 16.094 16.710 25.183 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 16.164 16.970 23.693 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 7.225 19.565 22.864 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 7.445 20.465 23.124 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 6.735 19.655 22.054 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.787 22.478 -24.096 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -22.177 22.508 -23.216 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -21.057 21.868 -24.006 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.831 13.454 14.583 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -9.141 12.644 14.993 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.451 13.174 13.753 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 -0.706 -1.543 -23.201 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 0.194 -1.663 -23.501 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 -0.616 -0.973 -22.431 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 5.236 -15.679 -11.859 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 5.976 -15.829 -12.449 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 4.766 -14.949 -12.259 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -19.538 19.894 -17.735 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -20.298 19.314 -17.705 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -19.228 19.934 -16.835 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -2.744 23.387 20.900 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -2.164 23.157 21.630 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -3.284 24.097 21.230 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 19.727 9.724 -13.877 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 18.917 9.284 -13.627 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 20.107 10.034 -13.057 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -12.585 -9.966 -16.371 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -13.295 -9.506 -15.931 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -12.355 -9.416 -17.121 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 -1.141 -1.953 1.337 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 -1.561 -1.143 1.607 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 -1.861 -2.553 1.137 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -2.016 10.074 20.143 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -1.826 10.914 19.733 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -2.546 10.294 20.913 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -19.424 21.034 13.931 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -19.254 21.654 14.641 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -19.004 20.214 14.221 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 -21.648 -11.464 -22.905 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 -22.538 -11.754 -22.695 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 -21.658 -11.284 -23.835 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 -0.227 -19.326 -17.468 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 -0.457 -19.946 -18.158 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 0.563 -19.686 -17.068 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -2.428 -22.935 -16.676 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -1.548 -23.235 -16.906 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -2.618 -23.385 -15.856 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 19.303 19.775 -4.237 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 18.533 19.705 -4.797 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 19.873 20.405 -4.687 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 21.396 17.724 21.119 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 21.546 17.414 22.019 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 20.776 17.094 20.759 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 3.764 -14.428 4.623 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 3.934 -15.058 3.923 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 3.934 -13.578 4.243 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 10.380 5.866 -24.846 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 9.690 5.836 -24.186 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 9.920 5.966 -25.676 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 4.623 2.462 -12.293 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 4.413 1.602 -12.673 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 5.043 2.942 -13.013 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 -0.897 0.524 -4.685 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 -1.297 0.954 -3.936 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 -1.567 -0.076 -5.006 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 24.040 -9.956 -1.006 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 24.460 -9.546 -1.756 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 24.740 -10.456 -0.586 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 3.843 -5.195 20.653 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 3.473 -4.915 19.813 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 4.783 -5.165 20.523 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 11.192 -3.410 -8.801 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 10.492 -3.700 -8.221 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 11.402 -2.520 -8.511 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 3.326 -4.318 -8.681 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 3.886 -4.218 -7.921 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 2.736 -3.568 -8.641 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 21.816 -16.135 -21.399 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 22.106 -16.415 -22.269 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 22.596 -16.215 -20.849 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 8.545 -12.659 0.138 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 7.665 -12.789 -0.222 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 9.135 -12.979 -0.532 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 -20.595 3.284 4.647 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 -21.225 2.794 5.177 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 -20.095 2.604 4.187 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -13.637 19.053 23.847 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -12.897 18.983 24.447 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -13.467 18.403 23.167 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 -15.495 -5.376 -19.479 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 -14.835 -4.796 -19.089 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 -15.955 -5.766 -18.739 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 17.224 10.066 19.653 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 16.634 10.636 19.163 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 17.394 10.546 20.463 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 17.597 -7.745 3.883 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 17.397 -7.065 4.523 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 18.487 -7.535 3.583 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 13.789 -14.854 12.744 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 13.509 -15.764 12.814 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 13.499 -14.564 11.874 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 -15.670 3.445 6.919 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 -15.450 4.305 7.269 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 -15.110 3.335 6.149 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -9.585 14.041 -16.213 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -8.805 14.071 -15.663 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -10.185 14.671 -15.813 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 -6.507 -17.858 -17.135 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 -6.057 -17.018 -17.025 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 -6.097 -18.248 -17.905 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 -9.106 12.812 3.669 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 -9.016 11.862 3.559 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 -9.366 13.132 2.809 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 -13.000 -7.316 19.564 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 -12.310 -6.736 19.884 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 -13.410 -7.656 20.354 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -20.854 4.769 8.394 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -21.054 4.929 7.474 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -19.924 4.529 8.404 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 6.947 -10.209 -11.036 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 7.237 -9.939 -11.906 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 7.317 -11.079 -10.916 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -11.913 -6.766 -0.575 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -11.003 -7.036 -0.695 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -12.183 -6.456 -1.445 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.647 0.842 4.078 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.077 0.082 4.008 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.127 1.572 3.768 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -3.815 -11.238 -23.029 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -3.845 -10.318 -22.779 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -2.885 -11.438 -23.129 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -3.848 -3.143 0.927 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -4.148 -4.013 0.677 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -4.348 -2.933 1.717 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 -7.855 7.405 24.713 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 -8.565 7.985 24.433 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 -8.065 6.555 24.323 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 10.304 -16.116 10.049 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 9.964 -15.586 10.779 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 11.244 -16.186 10.229 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 0.914 2.186 13.011 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 0.744 1.596 13.741 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 0.304 1.906 12.321 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 16.793 -23.695 -19.391 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 16.793 -24.645 -19.551 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 15.883 -23.485 -19.201 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 -4.795 22.461 7.893 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 -5.315 22.441 7.093 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 -3.895 22.301 7.593 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 10.952 12.790 8.874 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 11.032 13.500 9.514 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 10.172 12.310 9.144 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -14.161 21.286 21.489 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -13.881 22.126 21.109 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -14.211 20.696 20.739 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 10.946 14.746 -11.639 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 11.266 14.386 -12.469 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 11.616 14.506 -10.999 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.724 -16.324 -13.891 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -2.464 -16.124 -13.311 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -1.824 -15.714 -14.621 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 24.167 15.103 23.409 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 24.637 15.233 22.589 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 24.057 14.153 23.469 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -0.997 -8.873 21.758 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -0.717 -8.043 21.348 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -1.807 -9.103 21.318 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 11.122 -8.138 0.585 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 10.542 -8.098 1.345 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 10.852 -7.398 0.035 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 17.596 -14.776 3.935 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 18.426 -15.156 3.665 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 17.826 -14.036 4.485 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 16.360 20.814 -2.389 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 15.770 21.204 -3.039 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 16.080 21.194 -1.559 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -13.125 24.777 1.295 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -13.755 24.067 1.455 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -12.585 24.807 2.075 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 13.365 19.360 18.739 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 13.375 19.880 19.539 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 12.495 18.970 18.719 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -13.558 2.755 -1.175 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -13.068 3.255 -1.815 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -14.468 2.985 -1.335 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 19.441 -13.773 -14.647 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 18.761 -13.583 -14.007 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 19.651 -12.923 -15.037 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 3.851 -4.531 -19.569 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 4.701 -4.561 -19.129 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 3.821 -3.661 -19.969 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 -8.800 2.785 -22.522 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 -8.450 1.895 -22.652 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 -9.530 2.675 -21.912 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 -9.318 18.874 -11.267 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 -9.088 19.774 -11.497 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 -10.158 18.954 -10.817 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 8.765 6.196 -14.633 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 8.245 6.506 -15.373 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 8.405 5.336 -14.433 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 24.085 -24.546 22.395 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 23.885 -24.726 23.315 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 25.025 -24.706 22.325 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 22.825 -18.905 8.341 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 22.775 -19.385 7.511 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 23.765 -18.725 8.451 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 10.334 -19.799 17.485 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 9.974 -19.039 17.935 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 11.274 -19.739 17.635 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 0.563 15.924 5.303 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 0.063 15.204 5.703 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 1.373 15.964 5.823 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 2.145 20.634 -21.915 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 1.525 20.754 -21.195 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 2.625 19.844 -21.675 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 2.802 11.177 17.715 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 2.782 10.507 18.395 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 3.382 11.847 18.055 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 -0.278 -5.828 -10.387 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 -0.378 -4.898 -10.547 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 -0.238 -6.218 -11.267 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 -17.696 6.543 6.418 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 -18.226 5.813 6.088 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -17.636 6.393 7.358 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 3.394 -18.827 14.935 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 2.604 -18.437 15.325 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 3.134 -19.727 14.725 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 21.576 13.225 -5.709 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 21.396 14.115 -6.009 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 20.716 12.845 -5.549 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 -6.026 3.006 -18.899 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 -6.026 2.826 -17.959 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 -6.836 2.616 -19.219 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 -17.415 -20.606 -0.493 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 -16.535 -20.866 -0.213 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 -17.965 -21.356 -0.263 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 15.656 -2.600 23.841 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 16.046 -3.200 24.481 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 16.406 -2.140 23.461 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 17.396 22.139 -23.219 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 17.086 22.969 -22.869 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 16.766 21.909 -23.899 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -7.401 16.136 -11.549 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -7.761 15.676 -10.789 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 -7.281 15.446 -12.209 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 -8.964 4.223 10.639 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 -8.734 4.793 9.899 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 -9.914 4.163 10.609 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -20.077 -15.636 16.621 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -19.667 -15.036 15.991 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -19.457 -15.686 17.341 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 1.066 6.054 24.613 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 0.276 6.294 25.113 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 0.846 6.274 23.703 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 1.355 -14.075 0.627 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 1.035 -13.485 -0.053 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 1.855 -13.525 1.217 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 2.891 -10.256 15.373 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 3.401 -10.266 16.183 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 3.381 -10.826 14.773 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 16.106 18.385 3.001 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 16.026 17.475 2.711 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 16.776 18.765 2.421 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -23.706 24.393 20.312 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -23.686 23.803 21.072 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -23.096 25.093 20.552 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -20.660 -21.063 -24.131 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -19.980 -20.703 -24.691 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -21.030 -20.303 -23.681 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 2.859 -7.046 10.299 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 3.819 -7.006 10.259 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 2.599 -6.236 10.729 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 16.905 -17.728 -3.943 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 16.215 -17.088 -3.813 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 16.665 -18.168 -4.763 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 0.123 -15.538 24.394 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 0.523 -15.458 25.254 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -0.627 -14.948 24.414 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 0.570 8.206 -13.501 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 0.280 7.556 -12.871 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 1.510 8.306 -13.341 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 24.353 -21.373 19.711 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 24.353 -22.193 19.221 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 24.113 -21.623 20.601 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 -12.358 -6.027 14.595 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 -11.718 -5.707 13.965 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 -12.088 -6.917 14.795 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 20.692 16.539 12.694 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 21.482 16.989 12.414 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 20.922 15.609 12.654 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 22.776 24.797 19.845 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 23.276 24.687 20.645 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 21.866 24.717 20.115 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 -15.971 3.884 -21.139 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 -16.381 4.054 -20.289 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 -16.141 4.674 -21.659 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 23.006 -10.740 17.344 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 23.606 -11.250 16.794 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 22.646 -10.080 16.754 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 2.946 7.803 12.617 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 2.086 7.383 12.667 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 3.206 7.713 11.697 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -22.795 -3.637 -20.932 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -21.855 -3.547 -21.082 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -22.935 -3.257 -20.062 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -8.135 21.964 24.834 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -7.515 21.904 25.564 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -8.015 22.854 24.494 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 -0.034 -18.739 10.961 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 0.856 -18.619 11.291 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 -0.334 -17.849 10.751 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -13.136 19.415 -11.139 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -12.906 20.335 -10.979 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -13.386 19.085 -10.269 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 13.153 18.563 12.662 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 13.673 19.333 12.452 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 12.723 18.333 11.832 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -21.245 23.773 -2.461 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -20.525 24.403 -2.531 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -21.415 23.513 -3.361 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -12.750 -16.779 10.253 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -12.190 -16.389 9.583 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -13.340 -17.359 9.773 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 -19.258 23.549 7.491 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 -19.368 22.739 7.991 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 -18.328 23.759 7.581 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 -17.973 23.263 -6.925 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 -18.463 22.893 -7.665 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 -18.433 24.083 -6.725 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 -0.668 -23.575 -21.589 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 -1.198 -24.345 -21.359 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 0.162 -23.715 -21.139 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 24.079 19.131 -0.311 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 24.779 18.551 -0.611 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 23.979 19.761 -1.021 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 20.643 -7.416 -7.427 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 21.003 -7.926 -8.157 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 20.673 -8.016 -6.677 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 -16.114 1.023 -16.311 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 -16.464 1.733 -16.841 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 -16.864 0.453 -16.141 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 10.672 -5.748 -4.051 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 10.512 -6.408 -4.721 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 11.292 -6.168 -3.451 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 -9.647 -16.465 -10.423 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 -9.517 -16.455 -9.473 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 -10.597 -16.365 -10.543 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 -2.979 14.751 -10.062 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 -3.589 15.001 -9.372 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 -2.949 15.501 -10.652 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 11.221 14.676 -17.237 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 11.221 14.856 -16.297 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 11.901 15.246 -17.587 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 17.854 13.084 -7.199 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 18.264 13.754 -7.739 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 17.494 13.564 -6.449 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 11.953 -11.304 21.110 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 12.533 -10.954 20.430 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 12.343 -12.144 21.340 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -20.436 -11.656 -11.603 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -20.896 -10.956 -11.133 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -20.226 -12.296 -10.923 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 -23.356 1.651 1.752 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 -22.686 1.461 1.092 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 -23.516 2.591 1.672 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 24.016 -0.096 15.923 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 23.556 0.574 16.433 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 24.616 0.394 15.363 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -14.048 -25.246 15.601 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -14.188 -25.696 14.771 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -14.498 -24.406 15.501 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 -3.343 25.015 23.977 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 -2.643 24.385 23.777 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 -3.753 25.205 23.137 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -18.477 6.000 -2.023 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -19.117 5.370 -2.363 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -18.537 5.900 -1.073 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -23.736 -12.909 -16.925 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -23.666 -13.769 -17.355 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -23.056 -12.379 -17.335 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 4.340 1.905 1.495 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 5.020 2.185 2.095 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 4.790 1.785 0.655 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 11.004 -19.890 20.528 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.774 -19.880 21.088 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 10.824 -18.970 20.338 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 11.570 0.552 -15.871 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 10.790 0.622 -16.431 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 11.890 -0.338 -16.021 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 5.433 -19.138 -22.997 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 5.853 -18.918 -22.167 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 5.803 -19.998 -23.227 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -20.635 19.032 7.856 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -20.635 19.062 8.816 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -21.355 19.612 7.606 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 22.326 -10.100 1.334 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 22.966 -10.070 0.625 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 22.446 -9.270 1.794 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -20.550 -11.399 12.069 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -21.050 -11.469 11.249 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -20.150 -12.259 12.179 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 -20.535 -9.018 -3.936 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 -21.325 -9.558 -3.826 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 -19.825 -9.568 -3.596 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 23.854 6.015 -17.221 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 24.534 6.195 -17.871 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 24.014 6.655 -16.521 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 15.894 23.965 -8.239 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 16.394 23.485 -7.579 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 14.984 23.885 -7.949 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -14.430 11.991 2.557 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -15.210 11.681 3.017 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.030 12.611 3.167 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 -20.164 -10.581 6.697 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 -19.454 -10.871 7.277 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 -20.034 -11.081 5.897 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 -1.795 -9.899 -9.739 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 -2.735 -10.079 -9.799 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 -1.705 -9.339 -8.969 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 13.882 18.431 -13.747 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 14.252 19.311 -13.817 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 14.562 17.861 -14.117 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 3.153 -0.179 7.047 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 3.023 -0.729 7.817 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 2.283 -0.089 6.667 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 -13.871 -4.744 -24.576 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 -14.191 -4.194 -23.866 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 -14.021 -5.644 -24.266 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -20.015 10.897 0.113 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -19.445 10.377 0.693 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -20.805 10.367 0.023 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -18.683 3.883 -9.609 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -18.683 3.563 -8.709 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -18.673 3.093 -10.149 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -11.344 -16.181 18.185 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -11.894 -16.911 18.505 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -11.124 -16.421 17.295 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 6.825 -21.929 -10.297 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 6.715 -21.079 -10.727 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 7.305 -22.469 -10.927 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 3.102 -23.038 4.943 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 4.022 -22.798 4.963 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 2.862 -23.008 4.013 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 3.641 -18.395 -8.778 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 3.241 -19.155 -8.358 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 3.321 -17.645 -8.268 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 -5.316 -3.606 4.225 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 -5.036 -3.856 5.105 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 -6.096 -4.136 4.055 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 15.333 -1.515 -3.423 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 15.593 -1.095 -2.593 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 14.393 -1.335 -3.493 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 -12.766 19.945 12.366 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 -12.216 20.215 11.626 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 -12.966 20.755 12.826 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -14.910 -22.075 -19.662 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -15.470 -21.305 -19.772 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -14.030 -21.715 -19.592 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 2.337 24.916 17.853 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 1.577 25.406 17.523 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 2.657 24.436 17.093 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -10.747 -22.867 22.889 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -11.627 -22.577 22.649 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -10.887 -23.577 23.509 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -6.514 18.672 -11.472 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -6.654 17.722 -11.512 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -7.384 19.052 -11.592 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 20.974 10.414 -5.692 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 21.734 9.974 -5.332 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 21.174 10.504 -6.632 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 16.033 -9.135 7.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 15.413 -8.415 7.193 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 15.913 -9.665 7.883 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 17.176 19.983 -19.281 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 16.376 19.473 -19.171 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 17.426 20.223 -18.381 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 -3.527 20.445 -6.067 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 -2.737 20.675 -5.587 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 -3.917 19.725 -5.567 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 15.963 25.025 3.873 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 16.463 24.345 3.413 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 16.053 25.805 3.313 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 -4.374 -23.794 -24.537 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 -3.744 -24.244 -25.107 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 -3.974 -22.944 -24.357 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 7.761 14.787 15.871 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 7.111 15.327 15.421 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 7.241 14.187 16.411 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 14.071 -2.366 9.507 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 13.161 -2.546 9.757 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 14.581 -2.566 10.287 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 -20.168 -15.571 -7.837 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 -20.268 -15.791 -8.767 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 -19.348 -15.081 -7.797 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -18.184 3.035 11.573 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -18.564 3.845 11.913 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -18.044 2.495 12.353 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 23.243 1.446 -12.621 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 22.973 2.076 -11.941 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 22.623 1.596 -13.331 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 18.616 -14.461 13.495 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 18.586 -15.091 12.775 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 17.846 -13.911 13.365 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -18.127 -2.486 -23.647 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -17.607 -2.216 -22.887 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -17.797 -1.926 -24.357 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 15.907 -15.645 23.679 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 15.197 -16.275 23.589 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 16.307 -15.845 24.529 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 22.932 -0.265 23.749 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 23.552 -0.985 23.769 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 22.102 -0.655 24.029 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.466 16.477 7.914 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -22.066 16.697 8.625 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -20.956 17.277 7.785 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 1.346 -21.830 -11.672 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 1.036 -22.740 -11.632 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 1.626 -21.630 -10.782 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -14.846 -13.574 -9.293 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -13.956 -13.234 -9.183 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -15.346 -13.134 -8.603 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -15.797 -16.018 -22.988 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -15.517 -16.568 -23.718 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -15.887 -15.138 -23.368 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 1.279 4.823 -23.263 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 1.319 5.173 -24.153 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 1.809 4.023 -23.293 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 -14.809 5.894 8.049 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 -14.439 6.704 7.709 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 -14.529 5.864 8.959 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 -5.416 -10.839 -9.917 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 -5.016 -10.359 -9.187 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 -5.946 -10.189 -10.377 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.663 6.693 -9.041 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -4.203 7.223 -8.461 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.733 7.123 -9.901 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 -19.785 7.614 -11.997 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 -19.435 6.924 -12.557 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 -19.745 7.244 -11.117 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -14.370 -9.968 -1.671 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -13.880 -9.938 -2.491 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -14.980 -10.688 -1.781 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 9.402 16.351 22.909 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 10.002 16.661 22.219 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 9.332 15.411 22.739 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 -9.523 -10.615 -24.881 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 -10.053 -10.855 -25.641 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 -9.763 -9.715 -24.691 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 4.303 -14.217 -24.171 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 3.943 -15.047 -24.491 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 4.763 -14.447 -23.361 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -18.686 -20.115 -9.617 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -19.026 -19.705 -8.817 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -18.496 -19.375 -10.197 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 -14.984 -7.045 -16.136 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 -15.364 -6.935 -15.266 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 -15.734 -7.115 -16.726 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 14.809 8.336 9.697 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 14.189 9.056 9.577 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 14.279 7.636 10.067 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 20.604 -15.494 -6.397 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 19.704 -15.694 -6.657 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 20.874 -16.234 -5.857 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 7.274 -7.371 1.143 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 7.924 -7.681 1.773 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 6.924 -8.171 0.743 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -3.994 22.904 -18.036 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -4.404 22.874 -18.906 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -3.084 23.144 -18.216 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 -9.194 0.063 -3.019 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 -8.654 0.853 -3.049 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 -9.804 0.213 -2.299 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 -10.028 8.173 16.889 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 -10.248 8.313 15.969 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 -10.078 9.053 17.279 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 11.746 23.722 21.799 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 11.806 24.052 22.689 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 12.336 24.272 21.289 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 6.026 6.327 12.325 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 6.206 7.247 12.135 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 6.456 6.167 13.165 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 10.916 7.992 23.959 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 10.736 8.862 24.319 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 11.736 7.722 24.379 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -4.363 -8.346 -0.317 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -5.023 -8.846 -0.797 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -3.643 -8.966 -0.187 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 -21.060 -7.544 24.681 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 -21.350 -6.834 25.251 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 -20.490 -7.114 24.041 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -22.233 -18.135 13.829 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -21.373 -17.725 13.759 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -22.073 -19.055 13.609 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -9.577 0.755 12.713 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -9.457 1.005 11.793 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -8.717 0.445 12.993 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 -11.897 -13.987 -9.372 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 -11.257 -13.917 -8.662 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 -12.357 -14.807 -9.202 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -10.336 8.192 24.209 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -11.066 8.462 24.769 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -10.696 7.502 23.659 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 6.943 12.924 18.578 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 7.473 12.194 18.238 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 6.443 12.544 19.298 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 24.124 -21.765 -9.538 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 23.874 -21.285 -10.328 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 23.314 -21.875 -9.048 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 15.842 8.385 15.819 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 16.562 8.125 15.229 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 15.062 8.355 15.269 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -7.143 -19.216 23.419 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -6.473 -19.756 22.989 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -7.973 -19.606 23.139 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 -5.166 19.142 8.659 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 -5.836 19.002 7.989 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 -5.176 20.082 8.829 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 19.223 5.957 11.357 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 18.743 6.687 11.747 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 18.553 5.307 11.167 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 -14.861 -0.973 24.704 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 -14.241 -0.273 24.504 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 -14.341 -1.773 24.634 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 13.906 -1.736 -24.172 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 14.506 -2.016 -24.862 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 14.266 -2.126 -23.372 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 6.504 1.970 -5.791 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 6.644 2.400 -6.641 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 7.384 1.780 -5.461 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 -3.005 -20.404 20.689 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 -2.885 -21.114 20.059 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 -3.905 -20.104 20.549 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 22.314 -15.686 4.550 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 22.754 -15.176 3.880 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 21.864 -15.036 5.090 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 13.645 19.595 -17.251 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 14.235 20.315 -17.031 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 12.775 19.915 -17.011 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -20.814 -12.177 21.121 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -21.194 -11.307 21.221 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -21.404 -12.757 21.601 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 -2.645 -18.524 12.689 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 -1.685 -18.474 12.719 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 -2.865 -19.174 13.349 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 20.051 23.935 -20.617 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 19.381 23.715 -19.977 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 19.761 24.755 -20.997 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 19.736 -0.449 24.448 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 19.046 -0.829 24.988 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 19.496 -0.669 23.548 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 19.334 13.004 13.821 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 19.604 13.724 14.381 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 19.664 13.244 12.951 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 -0.229 14.244 17.629 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 -0.589 14.184 18.519 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 -0.219 13.344 17.309 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 2.776 15.567 21.037 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 2.766 15.407 20.087 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 3.696 15.747 21.237 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 6.367 -11.798 -23.359 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 5.847 -10.998 -23.279 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 5.917 -12.308 -24.029 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 8.939 -25.317 7.709 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 8.679 -25.037 6.839 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 8.839 -24.537 8.259 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 0.065 11.564 17.068 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -0.155 10.764 16.588 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 0.885 11.354 17.518 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 0.834 -5.985 -6.795 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 0.924 -6.905 -7.045 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 0.794 -5.515 -7.625 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 22.722 23.156 -16.887 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 22.992 22.236 -16.887 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 22.512 23.346 -15.977 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -22.206 -1.928 -23.223 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -22.936 -2.538 -23.333 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -22.476 -1.338 -22.523 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -15.851 0.704 17.137 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -15.091 1.034 16.667 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -15.681 0.924 18.057 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 -1.839 -5.048 -23.858 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 -2.259 -5.898 -23.708 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 -1.089 -5.038 -23.268 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 16.081 -6.550 8.685 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 16.901 -7.000 8.495 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 15.781 -6.230 7.835 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 6.486 24.316 16.859 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 7.096 24.976 17.199 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 5.746 24.826 16.539 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -23.168 -22.754 -20.511 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -23.268 -22.824 -19.561 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -22.528 -23.434 -20.731 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 18.732 -24.817 -21.986 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 18.122 -24.097 -21.806 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 18.542 -25.067 -22.886 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -0.888 22.574 22.815 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -0.778 22.614 23.764 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -0.008 22.384 22.484 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 20.984 -17.493 -4.565 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 20.654 -17.003 -3.815 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 21.904 -17.673 -4.345 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 -20.119 -20.807 -12.297 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 -20.289 -21.747 -12.207 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 -19.529 -20.597 -11.577 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 6.234 -4.904 22.975 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 6.644 -5.494 22.345 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 5.394 -4.674 22.575 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 7.404 -22.439 14.464 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 8.024 -22.989 14.934 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 7.064 -22.989 13.764 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 19.784 -3.176 -7.706 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 19.694 -4.086 -7.986 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 19.394 -2.666 -8.416 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 1.886 22.054 7.024 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 1.846 21.094 7.074 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 2.266 22.244 6.164 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -16.419 -7.390 -21.497 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -15.919 -7.130 -20.727 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -16.869 -8.190 -21.237 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 -10.674 1.916 -7.632 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 -11.364 2.556 -7.472 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 -10.404 2.066 -8.542 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 11.412 -10.115 -19.365 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 11.112 -9.805 -18.505 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 10.632 -10.095 -19.915 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 17.733 -0.295 -24.019 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 17.783 -0.035 -23.109 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 16.853 -0.035 -24.299 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 3.571 -3.442 12.325 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 3.491 -2.492 12.215 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 2.681 -3.772 12.195 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 18.077 20.547 16.167 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 18.637 20.137 15.507 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 18.027 19.897 16.867 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 22.366 2.727 -24.377 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 23.246 2.427 -24.147 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 22.306 2.587 -25.327 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -23.607 4.465 9.174 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -23.117 4.535 9.994 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -22.937 4.365 8.504 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 19.096 13.211 -22.289 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 18.956 13.071 -23.229 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 20.026 13.441 -22.219 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 5.273 -11.376 -4.559 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 5.803 -12.116 -4.279 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 5.273 -11.416 -5.519 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -12.166 -23.495 6.175 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -12.596 -24.025 6.845 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -12.626 -23.715 5.365 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 10.063 -5.253 3.144 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 10.263 -4.613 3.824 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 10.733 -5.933 3.235 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 15.910 -13.589 -21.381 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 16.240 -14.439 -21.091 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 16.210 -12.969 -20.711 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 14.081 -15.943 -16.828 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 13.591 -16.723 -16.548 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 14.971 -16.113 -16.528 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 18.936 -18.358 -21.615 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 18.806 -18.408 -20.665 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 19.886 -18.398 -21.725 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -19.745 -3.405 -14.883 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -20.455 -3.875 -15.323 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -20.035 -3.325 -13.973 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -10.779 -17.957 5.003 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -11.179 -17.957 4.133 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -11.329 -17.367 5.523 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -6.586 17.632 14.146 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -7.296 18.262 14.166 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -6.336 17.562 13.226 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 -23.747 5.555 -18.351 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 -22.997 5.275 -18.891 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 -24.347 4.805 -18.381 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 -17.505 8.744 15.818 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 -16.755 9.064 15.318 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 -18.235 8.784 15.198 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -14.319 -23.616 -0.365 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -15.139 -23.996 -0.685 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -13.869 -24.336 0.065 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -15.203 -16.900 14.467 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -15.493 -17.740 14.827 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -14.303 -16.800 14.807 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 19.542 2.943 -11.996 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 19.832 2.793 -12.896 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 20.332 2.833 -11.476 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 -3.224 5.355 -12.962 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 -3.344 6.205 -12.532 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 -3.924 5.295 -13.602 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 -9.806 10.610 23.384 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 -9.776 9.740 23.785 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 -10.556 10.570 22.785 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 16.719 3.602 14.863 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 16.319 2.762 14.623 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 16.219 3.902 15.613 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 10.766 4.391 -17.257 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 11.246 4.151 -18.037 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 11.016 5.301 -17.087 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 -23.104 -2.725 13.798 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 -22.644 -2.955 12.988 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 -23.104 -1.775 13.818 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 -23.041 24.219 -20.936 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 -22.181 24.599 -20.726 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 -22.851 23.309 -21.156 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 14.692 -19.435 -19.305 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.252 -20.145 -19.635 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 13.862 -19.545 -19.785 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 16.164 17.235 -8.127 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 16.724 18.015 -8.077 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 15.944 17.165 -9.057 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -4.457 3.916 -2.495 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -3.737 4.546 -2.385 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -5.227 4.466 -2.635 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 -22.733 11.387 -19.472 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 -21.933 11.427 -19.992 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 -23.433 11.307 -20.112 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 -15.036 -4.805 15.805 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 -15.076 -3.875 15.575 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 -14.176 -5.085 15.495 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 13.413 4.667 -14.257 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 14.303 4.737 -13.897 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 13.133 5.577 -14.367 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 8.160 -10.948 17.457 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 7.520 -10.778 16.767 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 9.000 -11.008 16.997 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 23.905 -6.925 21.387 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 23.835 -7.695 21.947 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 23.965 -7.275 20.497 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 0.893 -23.826 -9.059 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 0.443 -24.566 -8.649 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 1.373 -23.416 -8.339 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -17.794 -1.793 2.049 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -17.864 -2.673 1.679 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -17.304 -1.293 1.399 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 -22.115 -9.477 -10.379 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 -22.075 -8.717 -9.799 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 -22.985 -9.847 -10.229 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 -15.781 16.683 12.521 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 -15.951 17.063 11.651 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 -16.591 16.213 12.741 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 14.974 24.141 10.931 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 15.134 23.681 10.111 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 15.734 24.721 11.031 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 5.063 4.518 21.341 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 4.223 4.878 21.051 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 5.693 4.808 20.681 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 7.621 -10.638 23.385 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 8.351 -11.018 23.875 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 6.931 -11.318 23.435 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 3.467 -9.846 -0.517 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 2.847 -9.136 -0.357 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 2.947 -10.646 -0.427 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 18.906 -15.381 8.093 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 18.306 -16.121 8.063 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 19.776 -15.771 8.173 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 24.407 13.193 -23.055 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 23.517 13.553 -23.045 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 24.977 13.963 -22.995 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 19.145 21.413 12.994 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 19.685 20.743 12.584 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 18.765 21.903 12.254 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -4.754 -24.777 -6.027 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -4.184 -25.517 -6.237 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -5.594 -25.177 -5.807 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 -2.514 2.405 19.071 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 -3.244 2.915 19.421 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 -2.134 1.975 19.831 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 2.112 16.334 2.757 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 2.012 15.764 1.997 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 1.532 15.954 3.427 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 24.362 19.013 -24.397 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 24.452 18.313 -23.747 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 23.512 19.413 -24.187 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 16.075 9.457 -2.831 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 16.175 9.927 -3.661 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 16.915 9.027 -2.691 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 18.234 18.826 -9.286 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 18.144 19.036 -10.216 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 19.184 18.806 -9.136 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.462 10.162 0.471 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 11.412 9.952 -0.459 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 10.812 9.592 0.881 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 17.716 3.437 1.669 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 17.736 3.127 2.579 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 17.266 2.737 1.189 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 -18.189 -24.104 5.923 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 -19.079 -23.884 6.213 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 -18.249 -24.174 4.973 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 2.376 -15.025 21.999 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 1.556 -15.445 22.259 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 2.116 -14.175 21.649 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 23.364 11.363 -10.949 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 23.974 11.263 -11.679 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 23.644 12.163 -10.519 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 6.053 17.047 -21.849 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 6.393 17.937 -21.909 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 5.503 16.947 -22.619 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 21.913 -0.810 -14.355 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 21.563 -1.300 -15.095 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 21.773 0.110 -14.585 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 -0.285 2.987 8.294 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 -0.685 2.287 7.785 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 -0.215 3.717 7.675 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 24.471 -14.362 -17.215 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 23.631 -14.772 -16.995 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 24.591 -13.702 -16.535 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 21.586 14.936 -9.097 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 21.686 14.906 -10.057 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 22.326 14.416 -8.777 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 20.199 13.988 11.259 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 20.689 14.318 10.509 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 19.429 14.548 11.319 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 13.463 -16.870 23.879 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 12.723 -16.900 23.279 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 13.543 -17.770 24.199 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 -15.383 12.764 -16.901 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 -15.553 12.394 -16.031 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 -15.943 12.254 -17.491 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 14.886 17.636 17.071 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 14.386 17.166 16.401 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 14.246 18.216 17.481 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 -19.174 0.575 1.774 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 -19.624 0.485 2.614 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 -19.034 -0.325 1.484 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 14.444 8.431 -11.901 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 14.474 8.421 -10.951 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 13.614 8.861 -12.111 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -24.425 15.516 17.487 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -24.695 16.406 17.247 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -24.915 14.946 16.887 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 -15.211 -10.966 -10.969 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 -15.381 -11.756 -11.479 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 -14.381 -10.636 -11.319 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 -2.033 -6.599 -4.817 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 -1.173 -6.799 -4.437 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 -2.603 -6.449 -4.057 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 17.296 12.674 20.935 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 16.936 13.234 21.625 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 17.056 13.114 20.115 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 -12.885 1.031 12.029 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 -13.025 1.721 11.379 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 -11.935 0.921 12.059 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -1.863 -5.102 14.447 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -1.663 -5.262 13.527 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -2.823 -5.142 14.497 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 24.824 -11.529 21.403 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 25.464 -11.499 22.113 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 23.974 -11.589 21.843 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 -15.186 6.609 4.634 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 -15.086 6.829 5.564 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 -14.296 6.669 4.284 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 13.525 -7.865 2.321 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 14.395 -7.645 1.991 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 13.315 -8.705 1.911 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 2.337 -13.188 10.681 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 3.237 -12.888 10.811 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 2.427 -14.138 10.571 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 1.847 3.773 -12.613 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 2.007 4.543 -12.053 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 2.697 3.353 -12.693 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 -16.034 -11.400 -16.847 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 -16.864 -11.490 -16.367 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 -15.464 -12.050 -16.447 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 -19.017 -10.890 -6.481 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 -19.037 -11.630 -5.861 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 -18.107 -10.600 -6.461 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 18.270 2.891 24.733 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 18.620 2.111 24.303 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 18.870 3.061 25.463 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -23.186 -5.618 14.293 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -23.116 -4.678 14.193 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -23.996 -5.748 14.793 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 19.277 21.011 -16.717 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 19.007 21.411 -15.887 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 19.837 20.281 -16.457 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 -15.638 23.715 13.421 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 -16.308 23.515 14.071 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 -15.308 22.865 13.151 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 18.205 -2.174 -9.735 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 18.665 -1.674 -10.405 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 17.635 -1.544 -9.305 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 23.026 7.915 17.130 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 23.916 8.205 16.930 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 23.086 7.555 18.010 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 12.713 8.192 15.823 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 12.833 7.562 15.113 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 11.773 8.392 15.803 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -20.011 5.525 -6.495 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -19.091 5.775 -6.475 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -20.001 4.615 -6.805 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 -1.664 21.707 6.677 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 -1.114 21.487 7.427 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 -1.064 22.097 6.047 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -17.544 22.052 -15.387 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -17.924 22.902 -15.177 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -17.344 22.102 -16.327 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 24.366 -9.388 19.715 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 24.396 -10.138 20.295 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 24.326 -9.758 18.835 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.067 -14.116 -11.279 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.787 -13.526 -11.069 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.737 -13.796 -12.119 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 19.750 -4.908 12.247 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 18.950 -4.798 11.737 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 19.700 -5.798 12.587 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 2.956 -23.476 22.783 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 2.506 -22.646 22.933 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 2.726 -23.716 21.893 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 15.774 24.144 -19.631 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 15.474 24.044 -18.721 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 14.964 24.184 -20.141 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 4.096 16.834 10.571 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 3.506 16.264 11.051 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 3.896 17.714 10.891 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 0.801 -23.969 -18.259 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 1.361 -24.109 -17.499 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 1.371 -24.099 -19.009 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 11.284 -15.729 -13.055 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 11.874 -15.759 -12.305 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 11.134 -16.649 -13.275 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -25.163 15.202 3.949 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -24.713 15.602 3.209 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -24.633 15.432 4.719 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -7.627 -13.137 20.775 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -8.027 -13.457 19.965 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -7.397 -13.927 21.255 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 -23.044 18.932 -8.751 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 -23.214 18.002 -8.851 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 -22.554 19.012 -7.931 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 23.994 -13.315 11.244 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 24.844 -12.875 11.255 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 23.874 -13.585 10.334 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 -9.978 -11.940 22.391 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 -9.198 -11.670 21.901 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 -10.708 -11.730 21.801 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 16.373 14.646 19.189 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 17.183 15.026 18.839 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 15.873 15.396 19.499 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 -20.034 10.181 -8.447 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 -20.974 10.081 -8.637 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 -19.774 9.341 -8.087 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 13.224 20.725 5.069 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 13.794 21.455 4.859 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 12.564 21.095 5.659 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -21.758 22.164 23.563 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -22.098 22.034 24.453 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -20.818 22.244 23.673 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -13.014 1.774 8.941 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -12.714 0.864 8.931 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -13.824 1.774 8.431 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 19.685 -12.516 -4.525 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 20.645 -12.486 -4.475 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 19.485 -12.196 -5.405 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -7.186 -2.725 17.838 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -6.386 -2.465 17.378 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -7.246 -2.135 18.588 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -7.837 20.088 9.473 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -8.157 19.188 9.533 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -8.087 20.378 8.603 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -12.543 14.664 -22.137 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -13.133 14.444 -21.417 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -12.033 13.864 -22.287 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 17.283 -15.997 11.667 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 16.753 -15.267 11.977 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 17.083 -16.067 10.737 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 17.385 -2.456 -22.201 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 17.525 -3.256 -22.701 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 17.605 -1.746 -22.801 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 22.212 7.211 13.274 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 22.992 6.801 13.634 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 22.292 8.131 13.524 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 -2.947 10.604 -14.065 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 -2.067 10.484 -13.695 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 -3.377 11.214 -13.465 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 3.779 3.815 6.603 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 3.379 4.675 6.503 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 4.429 3.925 7.293 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 6.143 22.133 0.858 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 6.403 21.473 1.498 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 6.023 22.933 1.368 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 18.455 19.765 -12.117 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 17.525 19.985 -12.157 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 18.755 19.885 -13.017 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -10.005 9.602 9.983 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -10.765 9.772 10.533 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -10.295 8.942 9.363 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 -12.436 -1.538 21.653 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 -12.456 -2.128 22.403 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 -11.976 -2.028 20.963 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 7.467 19.936 -3.201 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 6.797 19.906 -2.531 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 7.217 20.666 -3.771 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 -5.507 21.990 20.118 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 -4.877 22.140 19.418 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 -4.977 21.910 20.908 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 4.606 17.876 1.373 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 3.756 17.466 1.213 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 4.476 18.436 2.133 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 -13.325 -16.753 22.858 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 -12.755 -17.043 22.148 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 -12.725 -16.403 23.518 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 -10.814 19.673 5.697 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 -11.534 19.193 6.097 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 -10.604 19.183 4.907 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -16.617 -23.815 9.191 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -16.117 -23.275 9.801 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -17.527 -23.605 9.381 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -22.365 11.446 17.095 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -23.315 11.396 17.074 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -22.115 11.026 17.915 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -8.754 -18.616 -4.442 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -8.274 -19.376 -4.772 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -9.434 -18.996 -3.882 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 -25.183 2.863 -21.429 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 -24.553 3.533 -21.679 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 -25.113 2.813 -20.469 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 5.542 23.573 -17.937 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 5.652 24.293 -17.317 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 6.272 23.673 -18.547 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 5.614 -6.296 -2.343 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 5.634 -5.346 -2.473 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 6.064 -6.656 -3.103 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 15.074 -0.465 -20.377 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 14.794 -0.975 -21.137 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 14.554 -0.805 -19.647 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 10.376 4.949 2.907 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 10.886 5.119 3.707 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 10.446 3.999 2.787 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 4.045 22.807 11.769 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 3.475 22.467 11.069 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 3.635 23.627 12.029 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 -4.593 23.754 -20.982 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 -3.923 23.084 -21.142 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 -4.743 24.154 -21.842 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -7.753 15.712 17.895 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 -7.113 15.702 17.185 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -7.803 14.802 18.185 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 7.156 14.458 24.297 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 6.886 14.348 25.207 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 7.236 13.568 23.957 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 21.492 -2.729 8.543 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 20.562 -2.789 8.333 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 21.802 -1.979 8.033 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 -23.814 -12.134 19.433 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 -23.114 -12.004 20.083 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 -24.424 -11.414 19.593 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 -14.794 -23.654 -12.451 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 -15.524 -23.274 -11.971 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 -14.064 -23.654 -11.831 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -21.296 20.642 3.065 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -21.466 19.702 3.004 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -21.096 20.802 3.984 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 -12.236 -13.467 -12.147 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 -12.056 -13.957 -11.337 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 -13.066 -13.817 -12.457 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 2.825 7.016 8.723 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 3.125 7.396 9.543 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 2.175 6.366 8.973 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 -11.067 10.235 -8.991 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 -10.387 10.835 -8.691 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 -11.177 10.445 -9.921 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 14.973 -10.588 12.043 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 14.623 -10.948 12.853 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 15.513 -11.298 11.683 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 -19.825 22.922 20.681 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 -19.095 22.392 21.001 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 -20.475 22.282 20.401 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -5.835 -2.374 -18.149 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -5.445 -1.584 -18.519 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -5.895 -2.984 -18.879 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 10.935 -23.325 12.101 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 10.435 -24.145 12.141 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 11.835 -23.585 12.311 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 11.366 -23.228 6.259 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 10.836 -23.018 7.029 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 12.166 -22.718 6.369 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -2.374 -22.385 -9.629 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -1.524 -22.085 -9.319 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -3.014 -21.915 -9.089 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 -21.265 12.991 -17.056 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 -21.555 13.301 -17.916 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 -21.715 12.161 -16.946 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 21.512 -2.086 -16.898 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 21.432 -2.986 -17.228 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 22.052 -1.636 -17.558 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -13.645 6.431 1.593 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -13.695 7.321 1.933 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -14.525 6.251 1.253 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -23.123 -4.947 -16.907 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -23.223 -4.157 -16.367 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -22.513 -5.497 -16.407 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 -14.204 17.354 1.649 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 -14.284 17.194 2.589 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 -13.504 16.774 1.369 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -11.068 1.962 -13.021 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -11.688 1.552 -12.411 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -10.358 2.282 -12.471 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -23.191 0.425 -21.135 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 -23.361 0.355 -20.195 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -22.431 1.015 -21.195 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 -6.397 12.957 -10.917 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 -6.297 13.827 -10.537 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 -6.577 12.377 -10.177 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 -3.933 1.650 -16.431 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 -4.803 2.040 -16.521 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 -3.753 1.670 -15.501 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -12.773 6.315 15.118 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -12.733 7.035 15.748 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -13.343 5.675 15.538 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 4.465 -22.599 -24.921 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 4.425 -23.159 -25.691 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 4.185 -23.159 -24.201 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 13.743 23.601 -24.171 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 14.103 23.171 -24.941 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 13.333 24.401 -24.521 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -22.416 -11.106 -4.029 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -21.976 -11.456 -3.259 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -22.746 -11.886 -4.489 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 7.973 -16.614 -16.885 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 7.103 -16.204 -16.885 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 7.783 -17.554 -16.915 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 -0.635 2.443 0.507 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 -0.545 3.353 0.787 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 -0.025 2.363 -0.233 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -19.185 -13.672 12.531 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -20.075 -13.992 12.661 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -18.705 -13.962 13.311 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 10.614 -18.403 -12.987 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 11.274 -18.903 -12.517 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.784 -18.713 -12.637 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 20.146 5.752 -12.636 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 19.636 5.082 -12.176 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 19.496 6.202 -13.186 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 23.755 21.603 12.773 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 24.555 21.803 12.273 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 23.525 22.433 13.193 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -23.224 22.073 -9.966 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -23.974 22.543 -9.616 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -23.114 22.423 -10.856 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 -2.158 -8.169 -7.311 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 -3.018 -8.299 -7.701 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 -2.328 -7.719 -6.491 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 -3.216 22.163 3.147 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 -2.646 22.753 3.647 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 -2.756 21.323 3.137 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -12.895 22.674 -10.702 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -12.635 22.754 -9.782 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -12.895 23.584 -11.022 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 -22.675 -17.004 3.905 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 -22.235 -17.524 3.235 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 -22.365 -17.354 4.735 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -21.995 18.394 -17.836 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -22.675 18.224 -18.486 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -22.255 17.884 -17.066 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 14.421 -18.263 -24.297 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 14.291 -17.393 -23.907 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 15.271 -18.553 -23.957 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 18.485 -18.195 18.764 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 19.255 -17.655 18.944 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 18.835 -19.015 18.424 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 5.563 -16.754 5.991 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 6.153 -16.014 6.081 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 4.883 -16.454 5.391 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 13.711 -10.546 -22.953 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 14.661 -10.616 -22.873 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 13.381 -11.426 -22.773 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -4.117 -21.309 -18.173 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -3.467 -21.869 -17.763 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -4.757 -21.129 -17.483 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 -17.655 -23.476 12.138 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 -17.555 -23.926 12.978 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 -17.565 -24.176 11.488 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -1.893 -15.246 2.801 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -2.493 -15.986 2.881 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -1.193 -15.576 2.231 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -21.571 2.485 -20.647 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -20.771 2.955 -20.857 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -22.271 3.125 -20.787 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 -16.267 -1.495 -9.423 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 -15.877 -2.115 -10.043 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 -16.077 -0.635 -9.793 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -10.628 17.475 16.774 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -9.968 17.845 17.364 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -10.138 17.205 16.005 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 10.384 -24.095 -23.943 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 10.234 -24.845 -24.513 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 9.854 -24.275 -23.163 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 -9.181 -9.154 3.401 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 -9.491 -8.594 4.121 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 -8.591 -8.584 2.901 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -23.924 11.641 11.289 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -24.824 11.461 11.549 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -23.774 11.101 10.519 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 10.353 -21.873 -7.867 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 10.523 -22.113 -8.787 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 9.953 -22.653 -7.487 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 16.305 -12.583 9.503 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 16.005 -11.833 8.993 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 17.235 -12.663 9.273 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -12.027 3.475 7.125 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -11.177 3.155 6.835 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -12.157 3.075 7.985 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 16.983 -20.432 -13.311 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 17.003 -20.422 -12.351 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 17.903 -20.322 -13.561 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 19.584 17.354 -1.583 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 19.924 17.024 -2.413 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 20.084 16.894 -0.913 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 8.473 23.735 4.639 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 8.623 23.165 5.399 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 7.623 24.145 4.809 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -19.265 -17.154 12.749 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -19.425 -17.934 13.279 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -19.275 -17.474 11.849 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -2.977 -20.903 17.639 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -3.437 -21.733 17.499 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -3.247 -20.353 16.899 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 11.737 -11.858 -4.597 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 11.067 -11.188 -4.757 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 11.767 -12.358 -5.417 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 -24.586 -18.886 23.039 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 -24.966 -18.246 23.639 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 -24.046 -18.366 22.439 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -19.926 6.412 -9.493 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.286 6.212 -8.633 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.326 5.692 -9.683 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 -10.201 -23.883 -13.163 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 -10.541 -23.643 -14.033 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 -9.271 -23.673 -13.203 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 -3.078 25.512 -14.889 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 -3.808 25.072 -15.319 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 -2.328 24.932 -15.019 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 20.481 7.454 -21.229 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 19.691 7.994 -21.209 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 20.411 6.904 -20.449 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 17.777 9.923 -5.909 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 18.737 9.933 -5.829 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 17.497 9.193 -5.359 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 19.141 3.895 13.249 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 19.071 4.755 12.839 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 18.251 3.695 13.549 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 1.789 -15.805 -4.313 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 2.219 -16.365 -4.963 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 1.659 -14.975 -4.763 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -13.378 22.585 -5.545 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -13.408 23.025 -4.695 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -14.238 22.185 -5.645 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 -23.473 -14.286 21.989 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 -23.733 -14.726 21.189 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 -23.973 -13.466 21.989 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 -19.785 -9.417 -0.567 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 -19.665 -9.147 0.343 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 -20.515 -10.037 -0.537 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 23.085 17.397 -11.933 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 23.605 17.167 -11.163 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 23.395 16.797 -12.613 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 18.104 -3.913 -24.727 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 19.054 -4.033 -24.667 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 17.734 -4.683 -24.307 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -0.520 15.843 -24.566 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -0.030 16.543 -24.976 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -1.160 15.573 -25.226 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -3.535 13.005 13.721 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -3.425 13.015 14.681 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -3.715 13.925 13.501 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -0.687 -10.135 -12.401 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -0.767 -10.925 -11.861 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -1.477 -9.635 -12.221 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 24.615 9.653 22.603 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 24.745 10.593 22.753 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 23.845 9.433 23.133 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -9.993 -9.034 -11.977 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -10.483 -9.834 -12.177 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -10.503 -8.604 -11.297 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 4.524 19.994 6.555 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 4.714 20.544 7.315 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 5.024 19.194 6.705 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -8.234 -3.412 -19.905 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -8.084 -3.822 -20.755 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -8.314 -4.142 -19.295 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 4.602 -4.048 25.085 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 5.062 -3.218 24.925 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 5.262 -4.718 24.935 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 -23.295 15.508 13.578 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 -24.215 15.638 13.358 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 -23.265 14.658 13.998 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 19.884 15.355 15.263 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 20.744 15.575 15.603 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 19.654 16.075 14.683 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 -17.313 13.249 -7.025 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 -16.483 12.989 -7.425 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 -17.233 14.199 -6.905 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -19.226 -0.737 -14.813 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -19.116 -1.687 -14.853 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -20.166 -0.607 -14.913 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 -16.883 -17.774 -17.953 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 -17.093 -16.854 -17.793 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 -16.363 -18.044 -17.193 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 -0.348 0.766 3.865 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 -0.268 0.506 4.785 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 -0.468 1.716 3.905 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 -0.499 -14.475 -23.671 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 -0.839 -15.295 -23.311 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 -1.249 -13.875 -23.651 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -14.265 -12.915 12.227 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -13.845 -12.675 11.407 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -14.295 -13.865 12.217 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 9.049 15.544 18.779 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 8.859 15.364 17.859 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 9.589 14.804 19.059 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -4.348 -0.209 -23.683 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -3.768 0.261 -23.083 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -4.258 0.261 -24.513 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -24.947 -9.629 -11.556 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -25.597 -8.949 -11.676 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -25.367 -10.269 -10.986 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 -21.724 20.682 -6.437 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 -21.564 20.752 -5.497 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 -21.294 21.442 -6.817 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -16.865 19.884 -20.899 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -17.805 19.784 -20.789 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -16.645 20.664 -20.389 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 11.850 22.195 -22.722 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 12.770 22.325 -22.502 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 11.580 23.005 -23.152 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -24.477 23.146 -3.165 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -24.357 23.106 -2.215 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -25.407 23.366 -3.275 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 6.565 -0.604 6.487 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 5.715 -0.174 6.387 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 6.625 -0.824 7.417 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.075 -24.390 -20.879 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -9.945 -24.000 -20.809 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.475 -23.640 -20.869 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 -13.214 -2.430 -7.816 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 -14.114 -2.520 -7.526 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 -12.804 -1.870 -7.146 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 4.675 -1.325 20.668 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 5.575 -1.045 20.798 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 4.345 -0.775 19.958 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 4.691 -12.081 11.425 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 4.581 -11.761 12.324 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 4.831 -11.291 10.904 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 23.837 -19.008 11.432 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 23.557 -18.848 10.532 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 23.687 -19.938 11.572 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 4.074 -12.156 17.003 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 4.104 -13.096 16.833 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 3.214 -12.016 17.393 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -18.063 -13.609 0.769 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -18.173 -14.269 1.459 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -18.493 -13.989 -0.001 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -2.436 -1.619 19.149 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -2.516 -2.169 18.369 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -2.026 -2.179 19.799 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 -3.654 -21.919 8.603 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 -4.424 -21.439 8.283 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 -4.014 -22.719 8.973 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 20.523 24.137 1.803 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 20.443 24.067 0.853 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 20.993 23.347 2.063 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 6.145 2.812 5.523 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 5.355 2.442 5.923 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 6.225 3.682 5.923 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -17.683 -4.954 16.151 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -16.733 -4.944 16.051 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -18.013 -4.504 15.371 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 12.615 -3.642 -5.867 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 12.815 -3.992 -6.737 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 12.565 -4.412 -5.307 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 -11.464 -4.545 21.633 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 -11.244 -4.025 20.863 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 -11.134 -5.425 21.443 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 -1.884 2.104 -2.787 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 -1.294 2.264 -2.057 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 -2.734 1.954 -2.387 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 5.357 17.363 -14.027 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 5.847 18.153 -13.757 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 4.497 17.693 -14.277 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 -13.000 -21.157 1.978 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 -13.790 -21.617 2.288 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 -13.170 -20.987 1.048 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 4.182 -5.408 1.593 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 4.722 -5.598 2.363 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 4.782 -5.458 0.853 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 -24.721 -16.897 -16.541 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 -24.961 -17.767 -16.861 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 -24.451 -16.427 -17.321 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 17.337 -5.938 5.963 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 17.787 -5.238 6.433 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 17.747 -6.748 6.293 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -22.026 -15.134 2.019 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -22.476 -15.874 2.429 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -22.276 -14.374 2.549 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 -9.963 3.584 -4.819 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 -9.823 2.794 -5.329 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 -9.803 4.304 -5.429 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 5.736 -17.324 14.977 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 6.346 -17.664 14.327 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 4.896 -17.734 14.767 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 6.177 -2.754 -5.983 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 5.347 -2.614 -5.523 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 6.177 -3.694 -6.183 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 10.789 12.963 -8.837 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 10.619 13.573 -8.127 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 11.399 13.433 -9.407 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 22.347 10.127 12.391 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 21.847 9.647 11.721 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 21.677 10.477 12.981 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 -16.647 -3.344 13.985 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 -16.437 -4.234 13.695 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 -16.077 -2.784 13.455 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 -13.757 18.306 -8.623 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 -14.157 18.056 -7.783 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 -12.957 18.756 -8.373 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 23.391 -19.675 -1.171 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 24.171 -19.125 -1.201 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 23.701 -20.515 -0.821 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -15.183 22.674 1.938 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -15.423 22.184 2.728 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -15.783 23.424 1.938 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 4.872 9.147 -1.022 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 5.612 9.687 -1.302 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 4.572 9.547 -0.212 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 22.392 5.915 -4.860 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 21.942 5.615 -4.070 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 23.302 5.645 -4.740 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -12.403 -16.586 -9.943 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 -12.243 -17.506 -9.723 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 -13.263 -16.576 -10.353 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 7.277 -23.230 -24.275 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 6.527 -23.340 -24.865 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 7.107 -23.830 -23.555 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -16.503 4.243 18.149 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -15.813 3.693 17.779 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -16.833 4.753 17.409 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -0.301 -17.390 -2.816 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 0.449 -16.940 -3.185 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -1.001 -16.730 -2.806 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 -8.917 -19.397 -15.842 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 -9.417 -18.627 -16.122 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 -8.097 -19.347 -16.332 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 14.604 -14.615 8.341 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 15.094 -13.875 8.711 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 15.214 -15.005 7.711 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 6.367 20.287 -8.599 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 6.457 21.027 -9.209 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 6.617 19.527 -9.119 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -10.503 -7.830 -24.409 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -10.413 -6.880 -24.269 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -11.413 -7.940 -24.679 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 -8.347 -3.853 -9.563 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 -8.947 -3.733 -8.833 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 -7.527 -4.153 -9.163 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 2.184 22.252 9.769 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 1.314 21.862 9.859 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 2.154 22.712 8.929 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 -16.517 17.173 22.761 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 -16.917 16.623 23.441 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 -15.587 16.973 22.811 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 15.304 8.282 6.957 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 15.114 8.702 7.797 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 14.624 8.612 6.367 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.474 15.123 10.131 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.364 16.023 9.831 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -20.414 14.943 10.031 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 -3.260 7.212 16.863 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 -3.080 8.022 16.393 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 -2.430 6.972 17.263 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 25.234 15.955 0.489 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 24.874 15.425 1.199 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 24.884 15.575 -0.301 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 -16.846 6.563 12.643 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 -17.076 5.673 12.403 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 -17.676 6.983 12.863 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 4.526 11.057 20.955 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 4.226 11.827 20.485 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 3.976 11.017 21.735 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.819 -20.508 -12.397 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.279 -20.178 -11.687 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 13.409 -21.128 -11.967 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 6.074 -13.068 24.043 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 5.494 -13.758 24.383 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 6.904 -13.518 23.883 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 -15.776 -21.645 -8.047 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 -15.286 -21.805 -7.237 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 -15.156 -21.175 -8.607 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 -24.663 7.423 -10.591 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 -24.973 8.023 -9.911 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 -25.383 6.803 -10.721 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 -19.896 -7.195 5.231 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 -19.696 -7.215 6.161 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 -20.826 -6.955 5.181 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 -10.594 2.282 -15.654 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 -10.424 1.962 -14.764 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 -11.244 2.972 -15.534 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 -14.855 -23.650 -21.999 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 -15.385 -23.000 -21.539 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 -14.245 -23.130 -22.529 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 2.945 24.826 -15.647 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 3.495 25.606 -15.547 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 2.885 24.456 -14.767 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 11.977 -15.557 -21.167 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 12.567 -15.857 -20.477 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 11.817 -14.627 -20.957 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 22.626 14.137 -0.346 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 22.586 13.227 -0.636 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 22.266 14.127 0.544 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 -8.097 16.354 24.371 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 -8.007 16.864 23.571 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 -8.717 15.664 24.161 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 0.910 21.423 -19.445 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 0.760 21.613 -18.525 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 1.760 20.983 -19.455 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 -9.399 10.704 -4.467 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 -9.999 9.974 -4.657 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 -8.549 10.404 -4.777 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 10.976 -17.439 13.844 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 10.176 -17.339 14.364 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 11.166 -16.549 13.534 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -5.240 -3.024 7.933 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -4.780 -2.314 8.373 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -4.700 -3.224 7.173 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 10.063 9.723 6.908 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 9.843 9.113 6.208 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 9.503 10.483 6.748 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 18.003 23.654 15.627 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 17.833 23.874 14.707 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 18.013 22.694 15.647 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -6.381 -23.444 -22.433 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -7.151 -23.914 -22.753 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -5.681 -23.724 -23.023 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 -6.506 -19.407 -19.885 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 -7.396 -19.747 -19.815 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 -5.946 -20.167 -19.695 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 -0.555 20.245 17.289 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 0.175 19.865 17.759 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 -0.485 21.185 17.449 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 22.316 -20.267 23.951 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 21.586 -20.787 23.621 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 22.886 -20.147 23.191 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 12.546 16.791 9.765 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 12.716 17.071 8.865 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 12.216 17.571 10.205 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 3.794 19.155 14.119 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 4.274 19.895 13.749 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 3.264 18.825 13.389 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 21.593 -22.339 -23.089 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.123 -21.969 -23.789 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 20.763 -21.879 -23.149 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 5.452 16.252 -6.075 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 5.112 15.582 -5.495 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 6.242 16.572 -5.645 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 -6.195 5.353 -20.421 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 -5.825 6.143 -20.021 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 -5.765 4.633 -19.971 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 23.606 15.402 -2.499 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 22.986 16.122 -2.389 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 23.376 14.772 -1.809 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 6.041 13.940 -2.676 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 5.151 13.610 -2.556 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 6.091 14.710 -2.106 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 -3.516 -23.601 1.729 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 -4.156 -24.011 2.309 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 -3.016 -23.021 2.309 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 9.234 2.684 13.093 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 8.284 2.754 13.003 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 9.584 3.064 12.283 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 4.193 22.454 -7.976 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 3.833 22.424 -7.086 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 4.743 23.234 -7.986 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 -10.786 12.205 -2.849 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 -10.366 11.975 -3.679 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -10.686 11.415 -2.309 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -6.677 -18.496 -7.695 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -6.407 -19.096 -8.395 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -5.887 -17.976 -7.505 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -13.228 -7.174 1.701 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -12.698 -6.894 0.951 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -13.988 -6.594 1.681 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 17.683 16.072 -21.305 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 18.473 15.602 -21.555 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 17.043 15.862 -21.995 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 24.253 -24.234 -4.751 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 24.583 -23.664 -4.071 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 24.473 -23.784 -5.571 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 -18.565 -15.114 -21.649 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 -17.885 -15.524 -22.179 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 -18.415 -14.174 -21.759 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 -20.014 13.572 -5.883 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 -19.704 12.792 -5.413 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 -19.234 14.102 -6.003 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 1.653 3.674 -6.202 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 1.263 3.274 -5.432 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 1.943 2.934 -6.742 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 -7.817 -23.824 16.398 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 -8.247 -23.544 17.208 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 -7.497 -23.014 15.998 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 20.285 -17.958 8.611 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 20.025 -18.688 9.171 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 21.245 -18.008 8.591 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -11.721 22.188 3.895 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -12.451 21.578 4.045 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -11.271 22.238 4.735 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 0.265 -11.344 -7.919 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 0.085 -10.754 -8.659 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 1.005 -10.944 -7.469 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 24.252 -8.279 12.525 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 23.492 -8.039 11.995 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 24.922 -8.509 11.885 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 -18.013 19.286 -15.236 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 -17.263 19.866 -15.136 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 -18.633 19.576 -14.566 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 19.114 19.829 2.467 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 19.024 20.729 2.787 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 19.164 19.909 1.517 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 9.013 -24.034 15.734 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 9.053 -24.984 15.724 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 9.543 -23.784 16.504 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 24.732 -2.474 12.005 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 25.552 -2.144 12.375 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 24.782 -3.424 12.155 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 8.955 -14.759 13.257 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 8.855 -15.099 14.137 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 9.545 -14.009 13.357 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -13.571 15.487 -24.459 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -13.261 15.407 -23.559 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -13.941 16.367 -24.519 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 24.707 -10.886 -17.151 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 24.667 -10.636 -16.231 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 25.337 -11.606 -17.181 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 19.264 5.671 2.461 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 18.754 6.071 1.751 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 18.704 4.981 2.801 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 24.285 4.315 -3.447 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 24.885 4.195 -2.707 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 23.465 3.905 -3.167 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 10.284 -6.385 19.355 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 11.224 -6.305 19.535 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 10.244 -6.765 18.475 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 22.836 17.265 5.035 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 23.166 18.085 5.394 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 22.256 17.535 4.324 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.436 -4.398 -14.732 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.936 -4.848 -14.052 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -10.806 -3.508 -14.742 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -10.296 17.096 4.835 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -9.556 17.146 5.435 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -10.996 16.666 5.335 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 -20.887 -10.515 24.479 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 -21.497 -10.575 23.749 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 -20.567 -9.605 24.459 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 -15.288 -5.238 1.429 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 -15.008 -5.388 0.519 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 -15.638 -4.348 1.419 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 -19.864 13.876 23.600 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 -20.054 14.716 24.000 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 -20.094 13.986 22.680 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -11.597 -16.254 -13.855 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -11.807 -15.374 -14.155 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -10.887 -16.544 -14.425 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -3.967 -14.626 -2.875 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -3.857 -15.526 -2.556 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -4.877 -14.596 -3.176 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 -13.427 -9.788 2.245 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 -14.377 -9.898 2.285 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 -13.297 -8.948 1.815 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 -9.629 -0.655 4.143 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 -9.559 -1.135 3.313 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 -9.119 -1.175 4.763 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -6.566 3.595 -11.089 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -7.456 3.445 -10.759 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -6.626 3.365 -12.019 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 -4.163 15.585 -7.386 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 -4.353 16.255 -6.726 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 -3.363 15.165 -7.086 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.595 1.483 9.429 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 6.855 1.303 8.849 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 8.345 1.073 8.999 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -16.246 4.616 -0.287 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -17.056 5.046 0.003 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -16.546 3.786 -0.647 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -12.656 -16.483 15.457 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -12.936 -16.903 16.267 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -12.256 -17.183 14.937 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -14.235 -9.493 -18.526 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -14.105 -8.553 -18.626 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -14.625 -9.593 -17.656 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -24.798 -6.383 16.519 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -24.778 -7.333 16.419 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -23.908 -6.153 16.769 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 22.444 16.596 -4.929 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 22.904 16.126 -4.239 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 22.654 17.516 -4.779 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -19.305 -7.108 1.948 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -19.095 -6.358 1.378 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -18.535 -7.678 1.888 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 6.010 -11.324 19.814 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 5.120 -11.364 20.154 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 6.040 -12.024 19.154 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 23.459 0.681 -18.072 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 22.699 1.071 -18.522 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 23.529 1.161 -17.252 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -2.679 -5.026 23.251 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -3.489 -5.156 23.741 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.229 -4.326 23.721 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.976 -9.977 -1.739 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 8.026 -9.857 -1.819 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.116 -10.247 -0.829 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -21.124 1.747 0.097 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -20.264 1.757 0.527 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -21.104 2.507 -0.493 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 13.162 3.914 19.261 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 13.722 3.334 19.781 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 13.362 4.794 19.581 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -20.624 -9.336 -14.319 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -20.914 -9.816 -15.089 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.364 -8.776 -14.089 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 22.097 1.546 18.099 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 22.867 1.296 18.609 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 21.357 1.466 18.709 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 6.855 16.177 -11.657 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 6.235 16.637 -12.227 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 6.485 15.307 -11.537 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 22.252 11.417 -1.475 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 22.362 11.427 -2.425 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 21.382 11.037 -1.335 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -8.635 20.506 6.849 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -8.415 21.116 6.149 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -9.275 19.906 6.449 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -8.813 -17.784 18.831 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -9.023 -18.654 18.511 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -7.933 -17.864 19.201 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 -15.994 8.684 17.949 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 -16.324 7.864 18.309 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 -16.564 8.854 17.189 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 6.452 -19.286 5.694 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 6.732 -18.746 6.424 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 5.712 -18.816 5.304 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 24.503 11.181 12.973 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 24.953 10.451 13.403 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 23.743 10.791 12.553 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 -0.885 15.158 7.275 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 -1.655 15.548 7.685 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 -0.935 14.228 7.495 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 12.114 -4.451 14.549 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 11.854 -4.271 13.649 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 12.144 -3.591 14.969 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 5.571 -19.703 11.325 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 6.421 -19.723 10.885 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.721 -20.143 12.165 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 19.790 16.543 -11.687 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 20.480 15.893 -11.817 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 20.250 17.363 -11.517 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 19.207 -12.185 21.963 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 20.107 -12.475 21.863 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 19.067 -11.585 21.233 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 -22.955 -18.966 -23.576 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 -23.185 -18.106 -23.236 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 -22.495 -18.786 -24.396 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 -15.915 20.814 12.627 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 -15.775 19.904 12.367 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 -16.835 20.974 12.447 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -17.794 -11.128 8.064 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -17.514 -10.488 8.714 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -17.024 -11.668 7.894 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -24.306 -12.224 -21.987 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -24.626 -11.654 -22.687 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -24.196 -13.084 -22.407 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -25.081 19.537 -10.813 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -24.681 20.097 -11.483 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -24.411 19.437 -10.143 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 20.892 -23.628 18.241 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 21.412 -22.938 18.651 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 19.992 -23.298 18.271 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 16.370 -18.318 3.457 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 17.090 -17.978 2.917 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 15.730 -17.608 3.477 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -3.484 -17.787 1.567 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -4.264 -17.757 1.007 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -3.834 -17.857 2.457 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -1.395 14.595 14.651 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -2.095 14.185 14.141 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -1.845 15.215 15.221 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 14.181 11.322 -2.749 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 14.361 11.272 -3.689 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 14.771 10.692 -2.349 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 -24.096 -6.818 3.781 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 -23.586 -7.008 3.001 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 -24.886 -6.378 3.461 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 -10.061 12.694 21.267 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 -10.991 12.554 21.457 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 -9.601 12.254 21.977 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 2.581 7.135 -1.036 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 3.111 7.595 -1.686 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 2.191 6.395 -1.516 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 -14.070 -13.979 7.425 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -14.790 -13.589 6.935 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 -13.580 -14.489 6.785 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -24.984 -21.507 -22.257 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -24.174 -21.007 -22.297 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -24.784 -22.257 -21.697 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 17.699 -18.265 23.677 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 18.509 -17.885 23.347 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 17.039 -17.575 23.567 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 -16.783 19.807 -3.743 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 -17.003 18.907 -3.523 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 -16.343 20.147 -2.953 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 9.119 22.175 22.525 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 9.829 22.085 21.885 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 8.639 22.955 22.245 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 22.413 -5.996 11.101 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 21.733 -5.336 11.141 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 22.563 -6.246 12.011 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 11.517 16.863 13.945 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 11.277 17.333 14.735 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 12.127 17.433 13.485 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 21.661 -22.347 15.117 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 22.071 -21.497 15.287 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 22.191 -22.957 15.637 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 6.183 15.076 -19.789 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 5.623 15.206 -19.029 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 5.963 15.796 -20.379 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -12.545 6.892 4.699 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -12.375 7.792 4.429 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -11.675 6.482 4.719 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -14.079 -12.044 15.889 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -14.949 -12.194 16.269 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -14.189 -11.284 15.319 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -11.774 9.812 12.238 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -11.454 9.032 12.698 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -12.104 10.372 12.938 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -9.576 4.542 23.817 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -9.636 4.162 22.947 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -10.436 4.922 23.977 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 5.365 -5.274 -6.840 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 5.735 -5.614 -7.660 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 4.975 -6.044 -6.420 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 17.887 -1.004 13.525 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 18.447 -0.644 12.835 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 18.467 -1.144 14.265 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -7.515 13.485 -13.343 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -6.865 13.825 -13.973 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -7.045 12.835 -12.833 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -3.006 -4.826 7.161 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -2.146 -4.976 7.541 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -3.166 -5.586 6.601 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -14.794 1.464 21.547 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -14.874 0.574 21.197 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -15.694 1.734 21.727 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 -11.607 -23.939 -21.527 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 -11.777 -23.449 -22.337 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 -11.917 -24.829 -21.717 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 17.187 22.983 6.558 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 16.577 23.663 6.268 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 17.917 23.043 5.958 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 -22.517 -13.167 13.659 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 -22.077 -12.367 13.959 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 -23.437 -12.907 13.549 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 -25.227 11.206 -16.049 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 -24.377 11.456 -16.399 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 -25.717 10.876 -16.809 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -5.503 -24.507 -13.249 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -5.683 -23.827 -13.899 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -4.633 -24.837 -13.479 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 -12.066 -18.954 20.915 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 -11.636 -19.684 20.465 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 -12.786 -19.374 21.405 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 8.782 6.150 18.231 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 9.492 6.230 18.861 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 9.212 6.200 17.371 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 22.942 8.056 -13.597 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 23.312 7.216 -13.887 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 22.042 7.856 -13.367 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -16.866 -24.098 -19.372 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -16.306 -23.378 -19.662 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -17.106 -24.558 -20.172 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 14.287 -8.276 10.607 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 14.727 -9.086 10.887 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 14.987 -7.626 10.597 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -16.434 3.852 3.597 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -15.964 3.672 2.777 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -16.044 4.652 3.927 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 -13.984 1.433 -21.903 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 -13.184 1.003 -22.173 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 -14.044 2.213 -22.453 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 16.663 6.712 0.048 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 17.503 7.112 -0.212 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 16.023 7.102 -0.552 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 7.103 11.003 -1.801 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 7.403 11.803 -2.231 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 7.803 10.783 -1.191 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 2.625 21.496 16.471 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 3.085 21.696 17.291 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 2.455 20.556 16.521 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 5.975 5.654 -15.987 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 5.505 4.994 -16.507 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 5.935 6.444 -16.527 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 22.169 10.523 16.354 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 22.549 9.733 16.735 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 21.369 10.213 15.914 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -15.165 21.273 -7.943 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -15.775 20.713 -8.423 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -15.305 21.053 -7.023 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 -14.586 10.384 11.287 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 -14.106 9.594 11.037 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 -13.966 10.894 11.807 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 16.223 2.852 19.007 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 16.443 1.972 18.707 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 15.623 3.192 18.347 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 24.184 23.904 9.061 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 24.384 24.494 9.781 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 24.974 23.904 8.511 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 17.755 -20.279 0.249 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 17.215 -20.909 -0.221 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 17.225 -19.479 0.269 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 9.513 -20.238 10.719 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 9.443 -19.948 11.629 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 10.213 -20.888 10.729 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -21.896 7.977 12.948 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -21.236 7.287 13.008 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -21.416 8.787 13.158 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 11.542 -18.667 -18.855 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 11.382 -18.887 -17.945 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 11.632 -17.717 -18.865 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -3.025 -19.216 -4.779 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -3.735 -18.586 -4.679 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -2.275 -18.686 -5.049 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -23.501 23.703 15.137 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -24.311 23.763 14.627 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -23.381 22.763 15.287 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 15.205 -5.408 -10.605 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 14.255 -5.448 -10.705 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 15.485 -4.728 -11.215 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -0.824 10.254 23.745 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -1.244 9.514 24.205 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -0.004 9.884 23.415 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 -16.045 -19.738 13.771 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 -15.375 -19.098 13.501 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 -15.585 -20.568 13.821 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 10.780 -10.955 7.844 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 10.690 -10.005 7.744 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 11.180 -11.235 7.024 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -20.445 -25.005 -10.631 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -20.295 -24.505 -9.831 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -21.225 -24.605 -11.021 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 23.771 -12.275 -5.073 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 24.301 -12.665 -4.383 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 23.531 -13.015 -5.633 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 2.513 21.076 25.119 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 2.513 21.736 24.419 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 3.303 20.556 24.969 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 -4.298 21.115 -14.729 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 -3.458 20.675 -14.649 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 -4.818 20.565 -15.309 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -23.665 -6.596 -19.051 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -23.625 -5.896 -18.391 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -23.745 -6.126 -19.881 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -6.151 -23.817 -8.952 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -5.871 -22.997 -8.542 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -5.801 -24.507 -8.402 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 22.521 13.046 -17.127 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 22.371 12.146 -16.867 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 23.371 13.036 -17.567 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 13.896 -1.209 -6.497 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 13.746 -2.069 -6.107 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 13.476 -0.589 -5.907 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 5.707 15.134 6.741 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 6.317 15.184 7.471 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 6.107 14.534 6.121 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 9.375 -7.765 -14.717 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 9.245 -6.865 -14.417 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 9.205 -8.305 -13.947 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -23.585 5.643 12.528 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -24.405 6.133 12.478 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -22.895 6.303 12.418 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 13.703 -22.876 -11.336 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 12.793 -22.846 -11.046 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 13.743 -23.626 -11.926 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 16.473 1.022 21.185 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 15.953 1.762 20.875 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 17.333 1.402 21.395 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -20.933 -11.576 2.327 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -20.113 -11.096 2.247 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -21.053 -11.696 3.277 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 1.851 12.764 5.504 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 1.031 12.944 5.044 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 2.301 13.604 5.534 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 9.717 10.522 11.795 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 10.307 10.522 11.045 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 10.227 10.132 12.505 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 1.323 -21.676 8.289 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 0.473 -21.686 7.849 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 1.583 -20.756 8.279 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 0.766 -2.036 20.135 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 0.096 -2.626 20.465 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 0.936 -2.346 19.245 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 8.884 -0.746 -4.478 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 8.204 -0.946 -3.828 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 9.244 -1.606 -4.718 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 8.435 -23.659 5.457 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 8.495 -23.989 4.557 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 7.675 -23.069 5.447 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 25.242 -18.168 -6.923 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 24.472 -17.898 -7.413 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 25.202 -19.118 -6.923 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 23.365 -23.690 1.457 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 22.895 -22.870 1.657 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 24.265 -23.410 1.287 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 11.234 19.169 15.304 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 10.674 19.899 15.574 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 11.684 19.499 14.524 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 24.774 16.863 -22.748 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 25.294 16.083 -22.568 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 24.294 17.013 -21.928 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -19.714 -22.816 -9.157 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -19.404 -22.966 -8.267 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -19.554 -21.886 -9.317 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -12.971 -18.839 17.425 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -13.451 -19.599 17.085 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -12.051 -19.029 17.225 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 23.124 -10.656 5.265 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 23.174 -9.866 4.725 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 22.994 -11.366 4.645 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 4.664 11.217 8.025 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 4.354 12.117 7.945 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 4.074 10.817 8.665 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 4.307 24.911 24.375 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 3.757 25.621 24.045 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 4.067 24.841 25.305 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 24.456 20.304 -3.699 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 24.756 19.664 -4.349 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 25.266 20.644 -3.309 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 -14.719 18.304 -21.855 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 -15.209 19.044 -21.495 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 -15.029 17.554 -21.345 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 -12.763 -2.828 -0.563 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 -13.153 -2.088 -0.083 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 -12.213 -3.268 0.087 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 16.033 -17.764 -15.343 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 16.843 -18.254 -15.513 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 15.803 -17.984 -14.433 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 18.842 -3.747 -0.777 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 19.772 -3.827 -1.007 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 18.372 -4.027 -1.567 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 0.225 20.556 11.901 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 -0.185 19.806 12.331 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 0.445 21.156 12.621 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 10.482 -1.907 6.767 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 10.332 -2.707 6.267 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 10.042 -2.057 7.597 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -2.655 -12.308 -8.339 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 -2.225 -12.538 -7.509 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -2.025 -11.738 -8.779 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 18.004 5.203 -3.579 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 17.104 4.893 -3.459 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 18.524 4.403 -3.679 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 -0.327 1.346 -20.377 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 -0.497 1.346 -19.437 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 -0.067 2.246 -20.577 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -17.306 -17.424 -6.505 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -17.296 -16.564 -6.925 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -18.216 -17.704 -6.575 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 17.146 -6.037 -8.635 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 17.896 -5.987 -9.225 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 16.426 -5.637 -9.125 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 -7.604 7.344 -21.841 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 -7.604 6.464 -21.461 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 -6.984 7.294 -22.561 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 24.053 -14.925 -4.104 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 23.233 -15.325 -4.384 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 24.023 -14.985 -3.144 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -15.489 -13.413 23.711 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -15.959 -12.673 24.071 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -15.179 -13.113 22.851 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 2.727 -10.854 5.901 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 3.067 -10.104 6.381 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 1.877 -10.564 5.571 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 -12.804 -23.291 -14.845 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 -12.824 -23.771 -14.015 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 -12.664 -23.971 -15.505 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 4.292 -19.594 8.515 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 3.752 -18.824 8.315 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 4.772 -19.344 9.305 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 -9.453 -16.684 -7.901 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 -9.513 -15.964 -7.271 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 -8.573 -17.024 -7.791 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -11.703 -7.509 8.908 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -12.653 -7.589 9.048 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -11.453 -6.759 9.448 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 20.912 5.627 20.189 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 20.372 4.857 20.299 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 21.292 5.547 19.319 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 3.344 -17.305 -23.013 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 3.824 -18.135 -23.043 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 3.304 -17.025 -23.933 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 -16.070 23.276 -10.359 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 -15.920 22.706 -11.119 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 -15.200 23.406 -9.979 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 12.029 23.807 9.645 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 12.829 23.487 10.075 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 12.259 23.897 8.725 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 3.014 -16.701 24.653 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 3.854 -16.921 24.243 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 2.534 -16.231 23.973 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 5.417 -19.813 -1.693 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 6.087 -20.473 -1.533 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 5.147 -19.523 -0.823 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 6.672 1.614 2.793 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 6.702 1.944 3.693 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 7.572 1.684 2.473 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 23.645 -23.497 -20.975 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 24.365 -23.767 -21.555 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 23.055 -23.007 -21.545 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 2.854 9.874 23.227 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 3.664 9.394 23.077 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 3.124 10.684 23.657 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 -8.054 -11.084 8.839 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 -7.464 -10.334 8.919 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 -8.824 -10.734 8.389 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 -10.086 -19.227 16.163 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 -9.356 -19.007 15.583 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 -9.696 -19.777 16.843 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 19.574 -23.980 13.863 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 20.104 -24.740 14.073 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 19.934 -23.270 14.383 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 13.912 -6.048 15.934 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 13.332 -6.748 16.234 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 13.362 -5.488 15.394 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 6.795 -1.304 25.075 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 5.935 -1.234 24.665 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 7.265 -1.944 24.535 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 13.775 24.984 -0.015 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 14.625 24.614 0.235 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 13.505 25.494 0.745 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -20.494 -6.256 -22.142 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -20.434 -5.306 -22.102 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -19.584 -6.556 -22.072 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -14.385 -0.338 -17.869 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -14.135 0.052 -18.709 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -15.065 0.242 -17.529 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -19.528 -9.376 3.153 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -19.498 -8.556 3.643 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -20.448 -9.636 3.173 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 -12.620 7.653 17.549 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 -13.380 8.223 17.669 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 -12.040 7.863 18.279 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 2.257 13.734 -12.821 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 2.017 13.314 -11.991 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 2.957 13.184 -13.171 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 -16.635 12.238 8.745 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 -16.195 11.738 8.055 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 -16.385 11.798 9.555 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -16.363 -9.895 3.103 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -17.123 -9.635 2.583 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -16.313 -9.235 3.793 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -16.548 -21.526 -23.489 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -16.968 -21.176 -24.269 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -16.268 -20.756 -22.989 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 -15.029 -2.228 16.714 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 -14.749 -1.958 17.584 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 -15.799 -1.678 16.535 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 0.057 1.232 10.689 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -0.893 1.332 10.739 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 0.377 2.102 10.439 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 12.525 15.704 -2.105 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 11.935 14.994 -1.855 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 11.945 16.384 -2.455 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 15.114 -4.982 11.034 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 15.644 -5.272 11.774 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 15.454 -5.452 10.285 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 10.805 12.186 20.645 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 10.645 11.996 21.565 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 11.755 12.256 20.575 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 -5.243 -21.726 5.348 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 -4.443 -21.386 4.968 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 -5.483 -21.076 6.018 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 25.146 17.805 16.303 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 24.736 18.265 17.033 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 25.186 18.455 15.603 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 14.351 -0.967 21.183 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 14.981 -0.337 21.533 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 14.311 -1.657 21.843 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 -2.407 -3.876 -18.592 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 -1.857 -4.626 -18.842 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 -2.797 -3.586 -19.422 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 22.443 23.033 24.531 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 21.983 23.193 25.361 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 22.173 22.153 24.271 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 -1.559 20.843 -17.272 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 -2.379 20.403 -17.482 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 -0.889 20.323 -17.722 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 22.552 -7.367 8.594 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 22.712 -6.667 9.224 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 22.762 -8.177 9.065 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 17.944 23.416 19.503 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 18.354 22.586 19.283 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 17.884 23.876 18.663 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 -11.896 -23.976 -18.567 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 -11.366 -24.626 -18.107 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 -11.636 -24.056 -19.487 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 -17.078 -6.401 -17.623 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 -17.018 -5.841 -16.853 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 -17.858 -6.081 -18.083 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 24.563 8.963 -8.833 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 23.783 9.183 -9.343 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 24.243 8.343 -8.173 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 1.004 -16.706 -16.576 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 1.414 -17.576 -16.566 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 1.164 -16.366 -15.696 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 13.606 -24.253 12.324 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 13.886 -25.013 11.834 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 14.206 -24.213 13.065 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 18.912 -16.127 -16.083 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 19.392 -15.537 -15.493 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 18.042 -16.187 -15.703 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 15.534 4.732 -3.298 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 15.084 5.282 -2.648 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 14.874 4.562 -3.968 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 -19.606 23.832 -19.399 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 -19.516 23.042 -18.869 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 -19.076 24.492 -18.949 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 5.647 -11.423 6.721 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 5.487 -12.333 6.471 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 4.807 -10.993 6.611 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 -2.914 6.189 14.481 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 -2.734 7.039 14.091 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 -3.334 6.399 15.321 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 11.809 -24.705 14.720 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 11.119 -24.045 14.730 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 12.549 -24.285 15.160 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 1.379 -2.625 -0.103 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 1.389 -3.305 -0.783 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 0.449 -2.415 0.007 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 22.022 -23.785 -2.255 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 21.422 -24.495 -2.015 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 21.922 -23.145 -1.555 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -13.208 -15.587 -0.385 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -13.048 -16.437 0.015 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -12.358 -15.327 -0.745 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.516 -11.314 -6.827 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.776 -11.024 -5.947 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -16.196 -11.934 -7.087 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 9.206 -2.176 -21.836 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 9.936 -1.846 -22.366 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 9.506 -3.036 -21.536 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 21.476 1.585 -7.295 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 21.266 1.575 -6.365 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 20.636 1.475 -7.735 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -24.724 -7.707 -7.521 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -24.184 -7.457 -6.771 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -24.924 -8.627 -7.381 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 -12.434 -25.145 -10.957 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 -12.364 -24.805 -10.067 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 -11.534 -25.195 -11.267 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 1.974 13.745 0.983 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 1.554 13.065 0.453 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 2.704 14.045 0.443 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 3.833 -14.488 -14.099 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 3.863 -15.378 -14.449 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 2.923 -14.228 -14.159 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -24.674 -10.576 4.751 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -24.514 -9.636 4.691 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -25.614 -10.676 4.571 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 24.046 9.083 -22.141 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 23.416 8.623 -21.581 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 23.496 9.573 -22.751 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -9.766 11.764 -18.007 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -8.856 11.504 -18.107 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -9.756 12.404 -17.297 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 8.394 -9.716 -8.029 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 8.604 -9.786 -7.099 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 7.684 -9.076 -8.059 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 9.497 24.975 1.059 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 10.237 25.395 0.599 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 8.737 25.205 0.529 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 22.213 5.357 -22.819 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 22.223 4.447 -23.109 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 21.623 5.367 -22.069 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 -3.694 -9.204 20.948 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 -4.034 -10.034 20.588 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 -4.394 -8.884 21.518 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 19.884 6.837 7.899 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 19.444 6.407 8.629 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 19.654 7.767 7.989 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 21.674 -1.127 6.407 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 20.974 -0.547 6.117 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 22.454 -0.567 6.467 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 2.471 9.246 4.023 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 1.661 9.296 3.513 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 2.291 8.576 4.693 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -7.096 15.290 -23.783 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -7.776 15.540 -23.153 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -7.446 15.570 -24.633 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 13.202 16.992 22.147 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 13.192 16.062 21.937 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 13.052 17.032 23.097 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -20.138 -19.248 21.507 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -19.808 -20.108 21.767 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -20.648 -19.418 20.717 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 -1.117 16.955 -15.457 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 -0.247 16.725 -15.127 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 -1.377 17.705 -14.927 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 18.861 -11.620 11.759 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 19.781 -11.420 11.589 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 18.861 -12.550 11.999 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -8.304 -21.847 -4.491 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -8.424 -22.197 -5.381 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -8.674 -22.507 -3.921 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.406 20.326 20.729 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.216 19.406 20.909 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 21.006 20.806 21.449 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -4.094 3.474 8.237 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -5.034 3.634 8.217 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -3.704 4.344 8.137 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 -2.429 -14.223 -21.699 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 -2.889 -14.863 -22.249 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 -2.509 -14.573 -20.809 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -22.466 -14.085 -8.457 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -22.856 -14.925 -8.197 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -21.526 -14.245 -8.437 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -16.135 -2.086 -0.697 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -15.325 -1.716 -1.047 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -16.815 -1.786 -1.297 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 -6.705 18.737 24.153 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 -7.085 19.567 24.443 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 -5.805 18.757 24.473 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 16.177 -20.026 15.885 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 16.387 -20.766 16.465 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 16.787 -20.126 15.145 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 12.872 -23.697 24.278 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 12.112 -23.647 24.848 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 13.052 -22.797 24.028 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 1.015 -18.169 13.377 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 1.955 -18.379 13.417 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 0.995 -17.229 13.177 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 -16.525 11.904 -14.483 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 -15.695 12.154 -14.073 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 -16.945 11.314 -13.853 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -12.646 -2.556 -12.785 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -12.586 -2.106 -13.635 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -11.766 -2.496 -12.425 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 21.705 13.842 -12.215 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 21.985 12.982 -11.895 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 20.875 13.672 -12.655 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -4.217 -25.457 -3.246 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -3.337 -25.247 -2.926 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -4.417 -24.757 -3.866 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 13.146 -21.796 -15.473 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 14.026 -21.576 -15.783 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 13.106 -21.456 -14.583 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 11.167 24.924 -18.999 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 11.197 24.264 -19.699 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 11.037 25.754 -19.469 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 -8.147 19.856 1.566 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 -7.977 19.166 0.916 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 -8.017 19.426 2.406 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 2.304 17.893 -16.995 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 1.534 17.703 -17.535 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 3.044 17.583 -17.515 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 24.776 -23.647 -7.483 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 24.526 -22.957 -8.093 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 25.666 -23.417 -7.213 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 8.160 7.546 4.244 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 9.020 7.476 4.674 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 7.900 8.456 4.364 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 23.716 -3.425 -24.113 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 24.156 -3.365 -24.963 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 24.086 -2.705 -23.603 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -11.717 -13.906 15.830 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -12.117 -13.706 16.670 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -11.787 -14.856 15.740 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 -7.335 -6.887 -16.647 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 -6.745 -7.527 -17.057 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 -8.165 -6.987 -17.117 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 21.329 10.896 -16.032 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 21.279 10.186 -15.382 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 20.419 11.066 -16.272 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -13.755 15.197 -16.657 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -13.045 15.127 -17.287 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -14.025 14.287 -16.507 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 -9.264 9.737 3.638 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 -9.154 8.787 3.568 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 -9.184 9.917 4.578 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -17.406 17.337 -17.513 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -17.336 18.037 -16.863 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -18.346 17.207 -17.623 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 -14.905 -18.625 -5.593 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 -14.315 -18.885 -6.293 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 -15.625 -18.185 -6.043 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 17.324 1.271 -17.133 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 17.954 0.741 -17.643 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 17.794 2.081 -16.953 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 -24.601 8.867 4.703 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 -25.051 9.677 4.933 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 -24.171 9.067 3.863 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 9.573 -22.387 -20.561 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 10.433 -22.277 -20.961 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 9.273 -23.247 -20.851 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 0.885 7.899 15.094 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 1.375 8.649 14.755 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 1.425 7.559 15.804 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.175 14.435 13.443 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 14.545 14.945 12.723 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 14.935 14.025 13.863 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 3.477 3.593 -2.117 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 4.037 4.173 -1.597 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 4.087 3.113 -2.677 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -13.205 -8.405 24.174 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -13.215 -9.335 23.944 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -14.035 -8.255 24.624 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 9.535 -10.875 -22.767 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 9.745 -10.885 -21.837 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 8.965 -10.115 -22.877 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 16.275 15.304 -5.716 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 15.335 15.444 -5.796 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 16.625 16.164 -5.456 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 -15.815 -21.015 3.293 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 -16.225 -20.155 3.203 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -15.175 -20.905 3.993 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 21.453 0.915 1.911 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 20.593 0.535 2.111 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.263 1.655 1.341 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 9.183 -8.438 3.104 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 8.833 -7.978 3.874 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 10.003 -8.828 3.404 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -15.484 -3.657 5.093 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -14.534 -3.637 5.133 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -15.674 -4.237 4.353 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 15.452 12.015 12.787 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 16.262 12.195 13.277 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 15.632 11.215 12.307 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -7.285 -18.578 -23.917 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -7.555 -19.458 -24.177 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -6.805 -18.238 -24.677 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -1.821 21.795 -9.109 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -2.451 21.155 -8.769 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -2.321 22.315 -9.739 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -20.877 19.103 10.568 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -21.837 19.083 10.588 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -20.617 18.953 11.468 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 20.273 -9.907 5.793 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 20.813 -10.697 5.773 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 19.493 -10.127 5.293 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 19.573 7.753 0.207 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 19.963 7.933 -0.653 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 20.283 7.893 0.827 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 -24.271 -20.438 -8.036 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 -25.141 -20.618 -8.396 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 -23.761 -20.158 -8.796 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 -20.523 -9.118 15.861 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 -19.593 -9.028 15.621 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 -20.993 -8.648 15.171 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -20.144 2.012 23.117 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -20.394 1.102 23.267 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -20.444 2.202 22.227 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -2.545 5.663 7.602 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -2.485 6.113 6.762 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -2.815 6.343 8.222 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 24.176 13.257 1.859 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 25.086 13.487 1.639 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 24.216 12.347 2.139 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 4.079 6.043 19.075 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 3.949 6.953 18.815 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 4.589 5.663 18.365 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 15.833 -6.346 20.207 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 16.413 -6.796 20.817 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 16.413 -5.976 19.547 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -14.727 -6.804 21.705 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -15.427 -6.984 22.325 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -14.287 -6.034 22.055 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 -17.893 -16.959 3.561 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 -17.793 -17.029 4.511 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 -17.373 -16.189 3.331 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 7.619 -10.225 -17.229 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 7.089 -10.995 -17.449 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 7.529 -9.655 -17.979 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 -20.394 -18.777 -0.712 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 -20.544 -19.487 -0.072 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 -20.914 -19.027 -1.472 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 -24.444 -4.648 24.138 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 -24.254 -3.838 24.618 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 -24.154 -4.468 23.238 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 22.376 20.544 -17.127 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 21.766 20.994 -17.717 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 22.366 19.634 -17.427 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -7.685 -4.335 20.081 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -7.975 -3.925 19.271 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -6.735 -4.275 20.051 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 -10.554 -20.960 25.259 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 -10.134 -21.550 24.639 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 -10.854 -20.220 24.729 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 -22.967 -1.380 -5.136 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 -22.027 -1.230 -5.266 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 -23.027 -1.750 -4.246 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 9.582 9.528 19.696 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 9.542 9.178 20.596 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 9.912 10.418 19.806 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 6.626 10.740 -24.459 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 6.786 9.820 -24.689 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 6.946 11.230 -25.219 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 -22.185 -22.788 1.073 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 -22.085 -21.978 1.563 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 -21.305 -22.988 0.753 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 5.623 -21.777 22.158 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 4.793 -22.177 21.908 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 5.783 -21.127 21.468 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 -2.313 -21.115 -2.401 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 -2.853 -21.285 -3.181 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 -2.333 -20.165 -2.291 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 -13.633 -18.675 -25.297 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 -13.523 -17.875 -25.817 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 -13.053 -18.555 -24.547 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 -20.547 21.532 -1.251 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 -20.397 20.662 -0.871 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 -21.187 21.942 -0.681 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 11.977 22.125 0.045 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 11.027 22.275 0.065 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 12.117 21.415 0.665 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 22.747 21.161 4.924 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 23.277 20.641 5.534 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 21.887 20.741 4.934 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 15.194 -3.574 -13.533 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 14.384 -3.294 -13.093 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 15.574 -2.764 -13.863 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 -19.473 -2.904 17.411 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 -19.323 -3.154 16.501 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 -18.813 -2.234 17.591 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 0.226 14.097 -10.545 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 0.006 14.167 -11.475 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 -0.424 14.637 -10.095 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 -19.010 17.199 21.299 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 -19.810 17.329 21.789 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 -18.310 17.269 21.949 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 17.094 -14.045 21.633 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 17.814 -13.415 21.723 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 16.884 -14.295 22.533 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 -4.900 4.896 23.309 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 -4.090 4.996 23.809 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -5.290 4.086 23.649 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 1.237 17.615 20.699 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 1.827 16.865 20.639 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 0.687 17.545 19.909 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 -22.795 3.225 13.668 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 -21.875 3.195 13.408 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 -23.165 3.945 13.148 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 -8.723 -8.936 -4.511 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 -8.583 -7.986 -4.471 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 -9.673 -9.026 -4.611 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -2.577 2.122 10.283 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -2.397 2.752 10.973 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -2.537 2.632 9.473 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 -10.564 24.455 -5.809 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 -11.064 23.885 -5.229 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 -9.754 23.975 -5.989 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 -12.953 7.766 -24.576 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 -13.493 7.126 -25.046 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 -13.403 7.886 -23.736 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 5.174 -9.225 16.718 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 5.764 -9.695 16.128 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 5.714 -9.015 17.478 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 7.316 5.695 -7.665 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 8.046 5.225 -7.275 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 7.456 6.605 -7.425 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 17.602 1.152 10.285 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 18.332 1.732 10.505 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 17.892 0.682 9.505 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 -13.497 21.264 5.975 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 -14.247 21.284 6.575 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 -13.297 20.334 5.875 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -4.536 6.964 -1.578 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -5.246 7.584 -1.388 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -3.856 7.504 -1.978 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 22.973 24.744 -8.379 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 23.573 25.404 -8.029 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 23.023 24.034 -7.739 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 -0.104 -8.581 11.377 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 -0.994 -8.321 11.627 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 -0.064 -8.391 10.437 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 16.853 4.434 -8.407 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 16.923 3.514 -8.137 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 16.233 4.424 -9.127 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 -19.289 9.255 11.367 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 -18.449 9.415 10.917 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 -19.939 9.295 10.677 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -16.736 -4.934 -24.483 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -17.566 -4.454 -24.393 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -16.236 -4.694 -23.693 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 16.793 16.576 -12.917 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 16.713 16.036 -12.127 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 16.983 17.456 -12.587 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -23.488 -7.056 7.453 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -24.128 -7.386 6.823 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -23.778 -6.166 7.643 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -10.465 -7.089 5.791 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -10.665 -6.299 6.301 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -10.505 -7.799 6.431 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -19.896 -15.820 19.997 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -19.456 -15.950 19.157 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -19.216 -15.940 20.647 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 3.507 -22.188 -2.477 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.027 -21.398 -2.627 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 2.707 -21.868 -2.057 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.461 -20.138 -22.567 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.151 -20.228 -23.467 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.681 -19.938 -22.057 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 12.002 -17.486 1.081 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 11.092 -17.216 1.061 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 12.492 -16.706 0.791 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -6.747 -10.159 11.911 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -7.567 -10.049 11.431 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -6.347 -9.289 11.921 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 4.624 -10.274 9.245 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 5.034 -10.554 8.435 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 4.064 -9.534 8.995 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 2.056 -15.128 -18.847 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 2.106 -15.638 -18.037 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 1.566 -15.678 -19.457 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 -5.507 -14.077 -5.925 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 -5.997 -14.767 -5.465 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 -5.797 -14.147 -6.835 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 22.340 -2.066 1.773 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 23.010 -1.386 1.893 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 21.540 -1.576 1.593 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -9.009 11.486 -24.544 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -8.959 10.616 -24.134 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -9.529 11.336 -25.334 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -4.355 -8.653 3.995 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -4.125 -8.933 3.115 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -5.295 -8.843 4.075 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -4.903 4.670 17.303 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -4.463 4.060 16.703 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -4.183 5.090 17.783 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -1.486 0.376 -17.529 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -2.396 0.096 -17.659 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -1.526 0.966 -16.779 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -1.937 22.881 15.409 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -1.877 22.101 15.969 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -1.027 23.121 15.239 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -24.465 22.237 11.725 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -24.225 23.017 11.235 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -23.635 21.847 11.985 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 5.526 7.882 -22.441 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 4.946 7.212 -22.821 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 6.216 7.382 -22.011 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -0.794 8.051 -2.459 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -1.244 7.871 -3.289 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 0.076 7.671 -2.569 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 -24.879 -5.167 10.663 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 -25.609 -5.797 10.603 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 -24.869 -4.747 9.803 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 22.429 -24.359 -10.856 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 21.609 -23.939 -11.106 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 22.219 -24.839 -10.056 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 17.055 -24.126 10.094 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 16.165 -24.006 9.754 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 17.595 -23.566 9.534 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 19.876 24.107 5.024 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 20.776 24.307 4.774 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 19.866 23.157 5.134 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 24.040 13.567 20.697 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 24.800 13.487 20.117 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 23.280 13.487 20.117 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -8.829 -9.193 -22.521 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -8.649 -10.013 -22.981 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -9.779 -9.113 -22.521 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 1.735 -15.915 15.647 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 0.995 -15.835 15.047 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 2.395 -15.315 15.297 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 -1.409 13.353 24.051 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 -0.949 12.513 24.101 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 -2.219 13.213 24.541 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 -15.925 -18.533 18.777 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 -15.725 -19.343 18.317 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 -16.825 -18.643 19.077 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 -8.276 -1.697 12.199 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 -9.206 -1.487 12.229 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 -7.936 -1.417 13.049 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 -19.005 21.657 -4.767 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 -18.585 22.207 -5.417 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 -19.915 21.957 -4.747 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.586 21.863 -6.415 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.926 21.993 -5.535 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -7.206 22.323 -6.985 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -0.410 0.213 24.041 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -0.600 -0.697 24.241 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 0.030 0.553 24.821 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 6.730 -19.548 -11.261 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 7.340 -18.838 -11.051 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 5.910 -19.098 -11.471 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -15.694 8.436 -21.333 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -15.454 9.346 -21.533 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -16.494 8.286 -21.833 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -7.803 -21.174 -24.053 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -7.243 -21.924 -23.873 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -8.673 -21.544 -24.153 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 -19.535 11.222 -19.925 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 -19.875 11.582 -20.745 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 -19.355 10.302 -20.125 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -24.715 15.346 -5.485 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -24.225 14.796 -6.095 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -25.325 14.756 -5.055 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 4.801 8.315 10.373 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 5.371 8.195 9.623 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 4.711 9.265 10.463 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 18.402 -24.475 -14.643 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 19.152 -23.915 -14.453 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 17.852 -23.955 -15.223 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 -22.866 -23.175 18.091 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 -22.986 -23.155 19.031 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 -23.746 -23.185 17.721 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -6.674 2.927 -16.308 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -7.554 3.227 -16.538 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -6.814 2.157 -15.758 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -19.625 -8.374 19.978 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -20.575 -8.364 19.868 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -19.485 -8.904 20.768 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 12.855 -20.785 24.705 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 13.485 -20.345 24.135 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 12.165 -20.145 24.845 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -21.746 23.255 -5.315 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -22.306 22.485 -5.265 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -22.196 23.845 -5.915 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 7.445 12.047 11.831 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 8.075 11.337 11.791 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 7.975 12.837 11.941 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 17.571 13.077 4.381 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 16.911 12.577 4.871 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 17.631 12.627 3.531 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 -10.037 24.260 18.699 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 -10.207 24.920 19.369 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 -10.857 23.760 18.639 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 7.023 -10.107 15.139 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 6.903 -9.227 14.799 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 6.643 -10.677 14.469 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 19.294 20.677 -21.933 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 18.704 19.917 -21.953 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 18.764 21.397 -22.273 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 11.665 -19.037 -6.350 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 12.205 -19.407 -5.650 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 11.205 -19.787 -6.720 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 15.817 -17.306 -12.669 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 15.027 -16.766 -12.629 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 16.127 -17.346 -11.759 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 24.385 -3.122 5.460 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 23.845 -2.402 5.780 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 25.075 -2.702 4.940 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 2.689 22.220 4.485 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 2.539 21.560 3.814 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 2.639 23.060 4.024 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 20.454 -18.140 5.609 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 20.574 -17.290 5.169 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 20.124 -17.920 6.479 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 21.021 -3.259 -3.759 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 20.981 -2.699 -4.529 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 20.731 -4.119 -4.069 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 4.413 19.084 16.903 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 5.063 19.774 17.053 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 4.383 18.984 15.953 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 10.526 0.302 -7.753 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 9.816 0.332 -8.403 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 10.306 -0.448 -7.193 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 12.285 -16.155 -8.196 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 12.685 -16.995 -8.386 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 11.345 -16.325 -8.216 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -22.723 -1.056 -12.567 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -23.273 -0.966 -11.797 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -22.593 -0.156 -12.877 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 -6.588 11.616 -18.339 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 -6.638 10.876 -18.949 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 -5.958 11.336 -17.669 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 6.803 2.814 11.969 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 7.513 2.754 11.339 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 6.043 3.074 11.449 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 -8.485 22.562 4.723 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 -8.285 23.492 4.603 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 -7.765 22.102 4.293 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 -11.024 2.784 -20.829 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 -10.724 2.884 -19.929 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 -11.914 3.124 -20.829 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -3.778 3.465 -10.021 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -3.328 4.145 -10.531 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -4.598 3.875 -9.741 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 10.752 20.466 -20.885 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 10.082 20.636 -20.225 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 11.522 20.956 -20.595 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -19.923 -0.973 11.561 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -20.553 -1.183 10.871 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -19.203 -0.533 11.101 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 15.566 19.147 22.513 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 15.256 19.697 23.233 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 15.336 19.627 21.723 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -3.917 6.855 -23.359 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -4.597 7.355 -23.819 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -3.997 5.965 -23.709 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 16.735 -8.476 -0.445 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.405 -8.006 -0.955 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.615 -7.936 0.345 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -17.487 9.226 6.589 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -18.357 9.536 6.849 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -17.567 8.266 6.609 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 24.396 -6.634 24.927 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 25.136 -6.194 24.517 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 23.776 -6.784 24.207 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 13.907 8.076 18.171 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 13.407 7.946 17.361 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 14.687 8.566 17.891 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 -20.667 -4.885 18.961 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 -20.437 -4.825 19.891 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 -20.117 -4.225 18.541 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 17.124 -24.477 12.898 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 17.224 -24.407 11.948 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 18.004 -24.627 13.218 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 -1.695 24.911 -19.503 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 -1.625 24.831 -18.553 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 -1.915 25.831 -19.653 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -22.593 1.984 -5.211 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -22.453 1.324 -4.531 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -23.533 1.964 -5.371 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 9.312 -22.649 -2.492 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 9.522 -22.189 -1.672 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.152 -23.009 -2.782 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 -10.453 -19.786 -0.291 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 -10.503 -19.746 -1.251 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 -10.263 -20.706 -0.101 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -21.374 5.157 25.201 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -20.714 4.537 25.521 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -21.424 4.987 24.261 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 17.476 12.013 -16.055 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 16.886 12.473 -16.655 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 17.026 12.053 -15.215 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -13.120 23.445 20.429 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -13.250 24.115 21.099 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -12.790 23.935 19.669 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 24.522 -4.415 14.228 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 24.372 -5.075 14.908 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 25.012 -3.725 14.678 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 21.476 -22.365 -17.317 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 21.876 -22.705 -18.117 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 20.586 -22.715 -17.337 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 -23.051 -7.038 11.597 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 -23.141 -6.728 12.497 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 -23.681 -6.518 11.097 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 7.396 -15.597 -13.891 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 8.256 -16.027 -13.901 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 7.046 -15.747 -14.771 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 13.954 -25.301 -4.685 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 13.904 -24.921 -5.566 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 14.434 -24.651 -4.176 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 13.056 -22.784 -6.477 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 12.206 -23.204 -6.597 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 12.866 -21.974 -6.007 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 -16.988 15.567 -25.211 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 -16.908 14.837 -24.591 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 -16.178 16.077 -25.081 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -7.517 -9.269 19.354 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -8.167 -9.669 18.764 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -7.527 -8.339 19.124 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -24.906 -12.913 -12.049 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -24.876 -12.383 -12.849 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -24.066 -13.383 -12.039 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 -12.749 16.831 -11.819 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 -11.909 16.801 -11.359 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 -12.949 17.761 -11.879 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -11.774 -4.597 9.614 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -10.864 -4.407 9.864 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -12.294 -4.137 10.274 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 6.431 5.322 24.223 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 5.871 4.862 23.593 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 6.621 4.672 24.903 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -5.488 12.096 -8.103 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -6.158 11.676 -7.563 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -5.358 12.956 -7.703 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -1.516 8.084 -16.143 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -0.876 7.844 -15.473 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -2.366 8.014 -15.703 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 16.217 -11.786 -1.027 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 16.817 -11.036 -1.057 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 15.457 -11.496 -1.527 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -5.753 -5.513 -21.055 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -6.583 -5.793 -21.425 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -5.573 -6.153 -20.365 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 -6.897 -21.344 1.855 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 -6.777 -20.464 1.495 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 -6.267 -21.884 1.395 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 13.171 4.906 7.991 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 12.991 3.976 8.081 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 14.111 4.956 7.801 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 10.366 -11.871 10.365 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 9.966 -11.371 9.655 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 11.076 -11.321 10.685 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -21.033 0.164 -8.807 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -20.523 -0.146 -9.557 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -21.653 -0.536 -8.627 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 8.042 -6.585 16.859 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 8.922 -6.255 16.719 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 7.552 -6.295 16.079 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -22.073 -9.608 4.013 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -22.443 -8.788 3.683 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -22.813 -10.228 3.983 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -12.059 -11.678 -6.607 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -12.359 -12.268 -5.907 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -11.209 -12.028 -6.857 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 5.606 -8.763 -8.657 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 5.736 -8.923 -9.587 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 4.976 -9.433 -8.387 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -0.146 18.816 -25.007 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 0.314 19.496 -25.497 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 0.364 18.736 -24.197 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -11.544 -6.587 -20.932 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -11.724 -6.907 -20.052 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -11.964 -5.737 -20.972 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 21.844 -5.015 0.769 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.524 -5.285 1.379 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 21.534 -4.165 1.109 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 22.522 -22.419 21.787 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 22.732 -23.259 22.187 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 21.622 -22.519 21.467 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 8.179 -10.627 6.075 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 8.609 -11.457 6.255 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 7.269 -10.767 6.325 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -6.337 -4.554 -0.477 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -7.237 -4.714 -0.757 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -5.787 -4.944 -1.157 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 0.423 2.453 18.319 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 0.593 1.993 19.139 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -0.437 2.123 18.039 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -17.087 19.073 2.201 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -16.417 19.703 2.471 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -17.827 19.253 2.781 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 24.461 -21.926 -0.621 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 24.051 -22.306 -1.401 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 24.931 -22.666 -0.211 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 1.356 -21.568 -1.021 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 0.496 -21.938 -1.221 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 1.226 -20.618 -1.101 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.925 1.087 15.039 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 10.535 1.867 14.629 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 11.865 1.267 15.019 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 17.257 -9.398 16.544 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 16.837 -8.548 16.714 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 17.747 -9.258 15.724 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 -0.517 20.125 -7.181 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 -0.937 19.515 -7.791 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 -1.067 20.915 -7.211 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -8.507 -6.696 -11.607 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -8.127 -6.396 -12.437 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -8.827 -7.576 -11.797 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 20.843 -24.889 24.335 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 21.763 -24.959 24.595 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 20.443 -25.709 24.635 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 -7.545 -17.185 -1.266 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 -7.035 -16.525 -0.795 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 -8.045 -17.625 -0.586 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -18.473 -19.935 -24.961 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -17.643 -19.635 -25.311 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -18.673 -19.325 -24.251 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -12.937 18.952 -18.277 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -12.847 18.122 -18.737 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -12.967 18.702 -17.347 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 14.169 23.171 -16.967 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 13.319 23.211 -16.527 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 14.799 23.471 -16.307 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 9.847 19.837 5.671 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 9.937 20.587 6.251 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 9.247 20.137 4.991 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 23.394 9.746 0.787 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 22.814 10.256 0.207 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 23.064 8.856 0.737 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 0.582 1.612 -23.723 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 1.472 1.902 -23.563 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 0.432 0.912 -23.083 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -8.228 0.653 -16.773 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -9.138 0.903 -16.603 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -8.278 0.093 -17.553 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 -19.166 -11.886 -24.513 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 -19.686 -11.506 -25.223 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 -19.576 -11.546 -23.713 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 -17.154 -6.473 -14.236 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 -17.894 -7.063 -14.066 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 -16.964 -6.083 -13.386 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 10.935 -18.689 24.273 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 10.885 -18.049 23.563 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 10.665 -19.519 23.873 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -17.275 -13.467 -19.233 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -17.655 -13.757 -20.063 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -17.415 -12.527 -19.213 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 -9.133 -23.596 -24.671 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 -9.113 -23.796 -25.611 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 -9.793 -24.196 -24.321 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 14.752 -1.877 5.177 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 14.612 -2.577 5.817 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 14.142 -2.067 4.467 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -23.204 10.875 23.165 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -23.304 11.825 23.245 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -23.924 10.605 22.585 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.684 -1.855 6.007 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -3.234 -2.625 5.657 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.694 -1.235 5.287 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 -0.495 -24.484 -11.443 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 -0.205 -24.134 -10.603 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 -1.245 -23.944 -11.683 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -9.091 -13.518 -12.116 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -9.281 -14.438 -11.946 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -8.181 -13.408 -11.856 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -18.405 -12.665 19.946 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -19.225 -12.495 20.416 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -18.275 -13.605 20.036 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 10.125 -22.696 -10.483 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 10.145 -23.216 -11.283 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 9.305 -22.966 -10.053 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 -19.043 17.815 -21.725 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 -18.283 17.255 -21.595 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 -19.333 18.025 -20.835 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 15.442 -22.979 18.958 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 15.792 -22.739 19.818 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 14.982 -22.199 18.658 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 20.113 8.582 19.219 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 19.243 8.232 19.419 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 19.943 9.362 18.699 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 7.706 -14.896 -1.607 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 6.886 -15.246 -1.267 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 8.286 -15.646 -1.657 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 16.033 -2.738 19.447 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 15.583 -3.528 19.737 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 15.613 -2.028 19.927 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 13.176 13.583 21.565 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 13.536 12.853 21.055 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 13.656 13.563 22.395 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 -21.580 7.177 1.415 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 -21.880 7.817 0.765 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 -22.370 6.957 1.905 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -16.593 21.826 -24.827 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -17.083 21.466 -24.097 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -16.823 22.756 -24.837 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 15.116 -25.334 6.510 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 14.266 -24.944 6.700 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 15.476 -24.804 5.800 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 8.706 23.895 -24.223 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 8.636 23.925 -23.273 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 7.896 23.465 -24.503 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 -5.406 3.974 -22.939 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 -5.756 4.314 -22.119 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 -6.176 3.764 -23.459 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 0.277 -19.814 -13.343 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 0.727 -19.594 -12.533 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 -0.073 -20.694 -13.203 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -10.927 -1.097 -20.189 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -10.887 -1.417 -19.289 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -10.017 -0.967 -20.449 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -18.794 16.903 18.051 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -19.174 17.613 18.561 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.974 17.273 17.711 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 -13.147 -10.799 23.101 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 -12.257 -11.129 22.971 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 -13.657 -11.199 22.401 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 -17.353 10.524 21.307 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 -17.773 10.504 20.447 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 -16.823 11.314 21.297 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 7.935 -2.219 -12.526 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 7.875 -3.169 -12.406 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 8.275 -2.109 -13.406 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -12.761 15.251 5.129 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -12.501 14.961 4.259 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -13.681 14.991 5.209 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -8.319 4.914 -18.079 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -7.689 4.404 -18.589 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -8.219 5.814 -18.409 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -19.544 4.134 15.815 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -19.484 4.474 14.925 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -19.134 4.794 16.355 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 11.874 -8.476 15.524 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 12.024 -8.666 16.454 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 11.874 -9.336 15.104 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -24.955 11.021 -3.731 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -25.525 11.771 -3.881 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -24.675 10.761 -4.611 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -5.016 -8.834 -8.151 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -5.346 -8.094 -8.661 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -5.666 -8.954 -7.451 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 -9.206 -8.527 -17.717 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 -10.146 -8.447 -17.847 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 -9.096 -9.377 -17.287 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -3.624 10.633 22.269 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -4.444 10.313 22.659 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -3.154 11.033 22.999 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -24.457 12.920 -0.656 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -24.167 13.350 -1.466 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -23.847 13.230 0.014 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -10.431 19.947 -0.939 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -10.331 19.497 -0.109 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -10.551 20.867 -0.699 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 6.184 16.566 -1.267 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 5.814 17.406 -1.007 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 5.854 15.956 -0.607 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 -18.436 20.547 21.101 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 -18.056 20.197 21.901 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 -17.906 20.187 20.391 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 22.444 15.541 -14.331 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 22.014 14.941 -13.731 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 22.044 15.371 -15.181 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 3.343 3.873 -10.141 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 3.613 3.523 -9.291 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 3.863 3.383 -10.781 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.185 -3.478 -22.427 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.475 -2.578 -22.567 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -15.495 -3.708 -21.557 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -21.851 15.507 -1.465 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -21.141 14.867 -1.475 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -22.321 15.347 -2.285 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 3.085 16.934 -1.405 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 3.585 17.644 -1.795 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 2.335 17.364 -0.995 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 16.146 -13.191 15.569 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 15.936 -14.101 15.379 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 17.096 -13.141 15.519 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 22.780 23.723 -0.147 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 22.880 24.663 -0.007 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 22.570 23.643 -1.077 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 19.636 -23.268 -6.085 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 18.926 -23.898 -5.965 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 20.016 -23.488 -6.945 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 -15.544 12.712 -11.821 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 -15.314 13.602 -11.571 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 -16.404 12.562 -11.421 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 6.395 -8.145 22.111 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 6.565 -9.045 22.401 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 7.245 -7.835 21.791 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 -24.325 4.922 -11.895 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 -23.775 5.572 -11.455 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 -25.155 4.952 -11.425 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 18.726 -11.037 -19.871 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 19.296 -10.617 -19.231 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 19.156 -11.877 -20.061 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 15.196 -20.525 -16.941 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 15.166 -20.135 -17.821 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 14.596 -19.985 -16.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 17.262 11.758 7.359 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 17.232 11.448 8.269 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 17.532 12.668 7.429 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -22.157 9.495 3.027 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -21.557 8.745 3.007 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -21.697 10.185 2.557 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 -10.624 -24.985 -2.619 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 -9.924 -24.405 -2.939 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 -10.194 -25.525 -1.949 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 -15.803 -11.326 18.333 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 -16.693 -11.266 18.003 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 -15.423 -10.466 18.163 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 16.024 24.434 -22.571 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 15.444 24.874 -23.191 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 16.104 25.054 -21.841 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -17.493 -4.227 18.593 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -18.203 -3.597 18.463 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -17.443 -4.707 17.773 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 2.975 -5.097 14.961 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 3.675 -4.477 15.141 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 3.135 -5.387 14.061 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -18.524 -24.087 22.901 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -17.854 -23.937 23.571 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -19.314 -23.697 23.261 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 5.511 -3.086 -21.827 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 6.011 -2.376 -22.227 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 6.151 -3.776 -21.657 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 -23.056 16.937 -15.853 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 -23.916 17.257 -15.573 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 -22.946 16.117 -15.363 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 0.350 -11.945 -1.769 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 -0.090 -11.095 -1.739 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 1.130 -11.775 -2.319 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 3.062 -8.265 20.845 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 2.292 -7.985 21.345 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 3.722 -7.605 21.035 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 24.886 6.224 9.014 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 24.606 5.964 8.134 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 25.586 5.614 9.235 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -11.825 12.637 -5.847 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -11.885 11.997 -6.557 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -12.605 12.497 -5.317 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 -10.785 10.754 -11.641 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 -11.625 10.474 -12.001 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 -10.135 10.274 -12.151 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 -21.320 24.034 13.419 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 -22.220 23.914 13.709 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 -21.340 24.854 12.919 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 -4.231 0.217 20.664 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 -3.321 0.087 20.404 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 -4.741 -0.233 19.984 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 -20.270 16.015 -17.269 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 -21.150 16.225 -16.959 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 -19.910 15.425 -16.599 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 16.045 21.025 -12.944 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 15.365 21.695 -12.904 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 16.385 21.065 -13.834 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 -4.047 -18.117 4.279 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 -4.587 -17.477 4.749 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 -3.737 -18.717 4.949 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 11.473 24.345 -1.466 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 11.753 23.605 -0.926 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 12.283 24.795 -1.706 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 11.137 -13.894 -18.419 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 10.577 -13.374 -17.839 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 10.727 -14.764 -18.409 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 9.684 21.231 2.899 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 9.904 22.151 3.039 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 10.504 20.821 2.619 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 -10.058 3.970 21.306 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 -10.668 3.400 20.846 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 -9.198 3.720 20.976 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 -16.588 17.935 16.385 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 -16.038 17.545 15.695 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 -17.388 18.195 15.925 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 6.654 -5.457 20.331 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 7.584 -5.247 20.461 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 6.434 -5.017 19.511 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 24.353 -15.996 21.063 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 25.173 -16.486 21.003 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 23.693 -16.586 20.713 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 -11.054 -5.943 17.398 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 -11.784 -6.573 17.368 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 -11.354 -5.203 16.868 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 -4.875 24.196 -23.803 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 -4.915 25.006 -24.323 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 -4.255 23.636 -24.283 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 -24.906 -0.755 -0.605 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 -25.526 -0.485 -1.285 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 -25.096 -1.685 -0.465 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 16.445 -11.238 -23.269 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 16.805 -11.648 -24.049 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 17.135 -11.318 -22.609 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 -9.934 20.847 11.278 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 -9.364 20.277 11.808 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 -9.424 21.007 10.488 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -13.431 -18.195 -20.235 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -13.331 -17.815 -21.105 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -14.131 -17.685 -19.835 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 -11.504 -12.028 6.810 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 -10.784 -11.948 6.190 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 -12.284 -11.738 6.330 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 11.534 10.076 -12.233 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 11.004 9.506 -12.793 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 10.904 10.446 -11.613 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 -19.673 -18.035 9.271 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 -19.193 -18.705 8.781 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 -20.063 -18.515 10.001 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -23.217 -11.018 -19.035 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -23.637 -10.168 -19.085 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -23.307 -11.388 -19.915 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 8.994 -19.598 -20.229 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 9.094 -20.518 -20.479 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 8.814 -19.148 -21.059 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 -23.974 5.547 -5.409 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 -23.104 5.927 -5.289 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 -24.324 5.477 -4.529 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -13.216 18.623 17.187 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -13.956 18.753 16.597 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -12.626 18.043 16.697 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 25.045 -20.606 -12.495 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 25.125 -21.526 -12.255 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 24.945 -20.616 -13.455 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 8.144 -6.518 -8.867 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 8.734 -6.728 -8.147 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 7.964 -7.358 -9.277 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 4.684 -20.225 -20.211 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 4.454 -20.685 -21.011 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 3.844 -19.945 -19.841 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 18.745 14.492 -9.419 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 18.715 14.842 -10.309 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 19.635 14.672 -9.129 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 5.932 -4.568 11.925 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 5.842 -4.338 11.005 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 5.092 -4.318 12.315 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 6.869 19.683 -13.855 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 7.329 19.523 -14.675 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 6.289 20.423 -14.055 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -18.807 16.445 4.307 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -18.867 16.395 3.357 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -18.107 15.825 4.537 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 18.236 -1.147 -0.405 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 19.086 -0.747 -0.565 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 18.286 -1.997 -0.865 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 11.642 -13.588 16.567 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 11.382 -13.238 15.707 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 12.342 -14.208 16.367 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 -21.929 -17.019 18.661 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 -21.359 -16.409 19.131 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 -21.829 -16.769 17.741 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 11.325 -7.908 -12.207 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 11.925 -8.648 -12.117 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 11.885 -7.128 -12.127 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -11.545 24.417 8.288 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -10.605 24.227 8.268 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -11.945 23.747 7.738 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 2.254 19.195 3.691 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 3.024 19.105 4.241 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 2.054 18.295 3.421 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 -16.195 13.463 -3.807 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 -16.295 14.383 -4.057 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 -15.255 13.363 -3.647 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 -22.475 21.244 13.231 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 -22.445 21.164 14.181 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 -21.565 21.374 12.971 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -6.725 8.672 -4.489 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -6.635 7.762 -4.769 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -7.025 8.612 -3.579 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 -0.575 -21.420 10.803 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 -0.765 -20.520 10.543 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 0.295 -21.600 10.453 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 18.506 -5.197 21.203 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 19.036 -4.487 20.853 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 18.746 -5.247 22.133 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 -19.983 -2.940 24.759 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 -20.573 -2.350 25.229 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 -19.133 -2.840 25.199 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -22.043 2.816 -9.361 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -22.413 3.526 -8.841 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -21.433 2.376 -8.771 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 11.135 13.077 -2.421 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 11.635 12.507 -1.831 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 10.705 12.477 -3.021 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 22.383 6.866 -0.446 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 23.173 7.346 -0.706 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 22.383 6.896 0.514 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 23.906 6.658 -24.619 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 23.526 6.218 -23.859 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 24.846 6.678 -24.429 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 5.462 -12.417 -12.989 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 4.802 -12.147 -12.349 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 4.982 -12.967 -13.609 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 24.057 21.311 8.638 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 24.117 21.061 9.558 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 24.447 22.181 8.598 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 18.484 -7.446 19.119 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 18.724 -7.236 20.019 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 19.074 -6.916 18.579 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 2.185 -5.637 -23.559 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 2.105 -4.687 -23.609 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 2.075 -5.927 -24.469 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 -15.746 -13.298 -12.085 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 -15.536 -13.298 -11.155 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 -15.386 -14.118 -12.415 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 5.827 14.032 3.495 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 5.597 13.352 4.115 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 5.927 13.582 2.655 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -14.107 -21.164 16.474 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -13.327 -21.644 16.754 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -14.827 -21.784 16.604 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 19.733 1.816 -19.348 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 19.903 1.106 -18.738 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 19.363 2.516 -18.818 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 -18.657 12.554 -10.014 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 -19.437 12.004 -9.964 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 -18.337 12.614 -9.114 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -24.356 23.353 2.775 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -24.896 22.653 2.405 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -23.906 22.953 3.505 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 18.261 24.393 -12.451 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 17.521 24.713 -11.941 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 18.051 24.623 -13.361 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -22.295 -8.055 19.619 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -22.555 -8.235 18.719 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -23.005 -7.535 19.989 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 4.415 -12.287 14.181 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 3.605 -12.807 14.121 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 4.655 -12.327 15.101 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 -9.054 -14.324 18.865 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 -8.614 -14.474 18.025 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 -9.604 -15.094 18.995 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 8.686 22.837 -20.457 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 9.536 22.657 -20.877 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 8.346 23.607 -20.907 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -5.976 -1.089 23.455 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -5.376 -0.729 22.805 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -6.806 -1.189 22.985 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 -1.283 -16.976 -22.889 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 -0.603 -17.526 -22.499 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 -2.003 -16.986 -22.249 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 1.942 9.823 -20.001 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 2.172 9.283 -20.751 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 1.452 9.243 -19.421 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -25.346 -12.656 -2.581 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -25.406 -12.376 -1.671 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -24.456 -12.996 -2.671 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 -22.698 -3.406 8.791 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 -21.998 -2.776 8.641 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 -22.288 -4.266 8.661 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.945 15.254 -23.107 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 8.865 15.454 -22.957 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 7.495 15.594 -22.327 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 13.994 -5.159 1.081 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 13.584 -5.889 0.611 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 13.614 -5.179 1.951 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 9.389 -0.418 -1.159 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 9.489 -0.408 -0.209 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 9.249 0.502 -1.399 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 -16.013 -14.029 17.873 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 -15.113 -14.199 17.593 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 -16.103 -13.079 17.833 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 -8.029 17.675 -20.771 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 -8.909 17.395 -21.031 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 -7.639 16.905 -20.361 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 22.866 2.643 23.297 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 23.806 2.623 23.507 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 22.676 1.743 23.027 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 22.176 -12.488 19.245 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 22.646 -12.068 18.525 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 22.746 -13.208 19.525 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 10.904 -2.037 22.539 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 11.014 -2.707 23.209 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 10.664 -2.527 21.759 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 -0.685 -12.765 -16.025 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 -1.225 -12.555 -15.265 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 -1.315 -12.955 -16.725 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 1.085 5.551 -20.662 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 1.265 5.381 -21.582 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 0.465 4.871 -20.402 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -20.626 0.842 20.304 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -20.486 -0.098 20.204 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -20.246 1.222 19.504 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -25.185 -15.309 5.392 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -24.595 -15.139 4.662 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -24.615 -15.349 6.162 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -19.997 -13.076 -4.443 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -19.297 -12.746 -3.883 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -19.537 -13.526 -5.153 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 3.275 -6.945 -1.251 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 3.285 -6.765 -0.311 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 4.125 -6.645 -1.561 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -22.044 23.275 9.504 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -22.094 22.895 8.625 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -21.654 22.585 10.044 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -6.909 -6.547 -6.725 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.999 -6.727 -6.955 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -7.319 -6.277 -7.545 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 8.195 -15.056 8.267 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 8.675 -15.566 8.917 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 7.535 -14.576 8.767 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -12.188 -7.898 -11.172 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -11.998 -7.298 -11.902 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -12.758 -7.388 -10.592 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -4.336 9.434 -2.527 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -4.236 8.974 -3.357 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -3.516 9.904 -2.407 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 -14.605 1.974 -19.533 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 -14.455 1.624 -20.413 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 -14.945 2.864 -19.693 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 17.822 -4.627 -5.987 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 17.192 -4.317 -5.337 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 17.642 -4.097 -6.757 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 6.734 7.114 15.827 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.794 6.934 15.837 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 6.884 7.654 16.597 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 3.092 -24.785 -10.297 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 2.182 -24.485 -10.287 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 3.612 -23.975 -10.317 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -11.647 6.180 23.171 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -12.517 5.800 23.281 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -11.447 6.050 22.241 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 9.606 -15.858 -4.576 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 9.726 -16.438 -5.326 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 10.176 -16.228 -3.896 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 -1.256 8.937 -7.241 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 -0.726 9.727 -7.081 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 -1.626 8.717 -6.391 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 20.684 0.692 4.771 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 21.154 1.162 4.081 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 20.814 1.212 5.561 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -13.476 2.935 23.714 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -13.066 3.365 22.964 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -13.696 2.055 23.394 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 11.667 9.891 9.445 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 11.717 10.821 9.215 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 11.067 9.511 8.805 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -13.497 -21.209 -0.597 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -13.797 -22.109 -0.567 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -13.567 -20.969 -1.527 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 7.032 -13.007 -9.846 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 7.492 -13.677 -10.356 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 7.642 -12.777 -9.146 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 -19.215 6.477 -23.166 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 -19.465 5.877 -23.875 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 -18.265 6.437 -23.146 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 9.631 0.104 11.879 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 9.211 0.214 11.019 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 9.231 0.784 12.429 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 0.320 12.732 14.158 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 0.800 12.772 14.988 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -0.470 13.242 14.308 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 12.415 4.912 -2.879 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 11.465 5.012 -2.799 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 12.775 5.552 -2.269 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 -24.776 2.684 -24.199 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 -25.136 2.514 -23.329 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 -24.306 3.514 -24.109 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 21.283 6.207 -18.473 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 22.093 6.077 -17.983 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 20.963 5.327 -18.653 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 1.383 5.281 -2.579 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 1.773 4.431 -2.399 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 0.663 5.101 -3.179 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 -21.813 -4.047 -13.441 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 -21.983 -4.907 -13.051 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 -21.743 -3.457 -12.681 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 19.187 -6.326 -19.303 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 18.587 -5.986 -18.653 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 19.707 -5.566 -19.583 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -1.253 -21.417 7.083 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -2.063 -21.687 7.533 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -1.503 -20.647 6.573 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 24.735 -21.298 8.763 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 24.295 -22.128 8.593 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 25.055 -21.018 7.903 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -16.875 -10.887 -19.331 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -16.075 -10.817 -19.851 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -16.575 -10.937 -18.421 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 2.417 23.654 20.228 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 2.267 24.284 19.528 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 1.597 23.154 20.278 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 -22.164 -22.929 -7.423 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 -21.344 -22.439 -7.343 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 -22.624 -22.509 -8.143 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 5.245 5.334 8.151 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 4.695 6.104 8.281 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 5.835 5.324 8.901 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -13.826 -20.795 -13.967 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -13.236 -21.555 -14.007 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -13.366 -20.175 -13.407 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 22.193 -9.426 -8.702 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 22.493 -8.546 -8.922 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 22.523 -9.976 -9.412 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 23.661 -14.583 -11.049 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 24.211 -14.183 -11.719 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 23.511 -15.483 -11.359 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -21.765 -11.485 -0.353 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -21.235 -11.345 0.427 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -22.075 -12.385 -0.273 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -7.029 -14.628 -8.391 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -6.199 -14.918 -8.781 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -7.699 -14.898 -9.011 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -10.145 -17.888 8.299 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -9.775 -18.598 7.779 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -10.785 -17.468 7.729 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -11.095 15.167 12.167 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -10.645 14.327 12.267 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -11.025 15.367 11.237 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 1.144 -16.329 4.118 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 0.434 -16.589 3.528 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 1.904 -16.799 3.788 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 23.299 24.092 -3.612 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 23.619 24.952 -3.882 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 22.349 24.182 -3.622 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 4.115 -15.166 1.533 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 3.475 -15.776 1.163 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 4.955 -15.606 1.403 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 13.516 -19.866 15.813 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 14.426 -19.726 15.573 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 13.056 -19.946 14.983 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 16.444 -6.627 1.503 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 16.574 -7.027 2.363 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 16.034 -5.787 1.683 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 20.955 21.613 18.119 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 20.605 22.513 18.129 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 21.075 21.403 19.049 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 11.276 -0.007 1.133 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 11.466 -0.677 0.473 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 11.006 -0.507 1.903 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -18.745 -13.446 -12.723 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -19.355 -12.836 -12.313 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -17.875 -13.096 -12.523 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 0.345 -16.393 9.223 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 0.225 -17.183 8.693 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 0.105 -15.683 8.633 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 18.714 -7.277 -1.581 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 19.434 -7.877 -1.751 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 18.404 -7.017 -2.451 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 -1.385 -2.817 -25.431 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 -1.215 -3.637 -24.961 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 -1.115 -2.137 -24.821 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 21.364 -1.607 -6.155 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 22.064 -2.167 -6.485 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 20.564 -2.027 -6.465 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -2.565 11.715 -0.926 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -3.025 12.545 -0.876 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -3.005 11.155 -0.286 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 -18.736 6.200 0.667 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 -19.586 6.640 0.607 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 -18.816 5.630 1.437 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 5.095 -15.595 20.189 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 4.565 -14.805 20.099 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 4.495 -16.315 19.979 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 -16.548 -21.173 -13.795 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 -16.858 -22.063 -13.655 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 -15.608 -21.273 -13.935 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 20.579 24.232 21.203 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 20.599 23.392 21.653 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 20.519 24.882 21.903 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 1.794 -23.506 2.329 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 2.114 -24.406 2.319 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 1.484 -23.346 1.429 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.938 9.345 -5.636 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -15.478 8.585 -5.396 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -14.118 8.965 -5.956 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -5.684 -16.687 6.331 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -6.304 -17.327 5.991 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -5.714 -16.807 7.281 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 18.933 22.366 -14.499 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 18.163 22.846 -14.189 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 19.633 23.016 -14.529 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 -12.404 -12.706 2.103 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 -12.554 -12.506 1.183 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 -13.284 -12.866 2.463 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 8.659 -6.187 -23.153 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 8.129 -6.887 -22.773 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 9.459 -6.627 -23.453 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -8.636 11.685 -8.291 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -8.106 11.365 -7.561 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -9.036 12.495 -7.961 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 -24.675 -19.784 1.603 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 -25.025 -19.264 0.883 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 -24.545 -20.654 1.233 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 13.876 6.473 20.404 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 13.986 7.123 19.714 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 13.296 6.893 21.044 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 -5.603 -7.255 -10.233 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 -6.353 -6.805 -9.853 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 -5.783 -7.295 -11.173 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 17.024 8.349 -12.671 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 16.184 7.939 -12.471 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 17.344 8.679 -11.821 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 13.366 -15.637 20.803 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 13.916 -15.587 20.023 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 13.986 -15.687 21.533 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 -3.734 -8.008 -23.003 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 -4.684 -7.948 -22.993 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 -3.474 -7.528 -23.793 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 -7.441 -23.515 -2.562 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 -7.241 -22.635 -2.242 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 -7.571 -24.025 -1.762 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -5.164 7.136 24.633 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -6.064 7.136 24.933 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -5.204 6.796 23.743 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 25.254 -25.149 11.401 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 24.774 -25.349 12.201 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 24.954 -24.279 11.151 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 9.455 -17.071 -6.807 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 8.745 -16.881 -7.417 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 9.805 -17.911 -7.107 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 12.873 -10.838 17.127 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 12.843 -11.398 16.347 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 13.733 -11.008 17.507 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 -21.706 20.974 15.938 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 -21.996 21.314 16.788 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 -20.756 21.074 15.958 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -1.226 19.896 2.961 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -0.376 19.456 2.961 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -1.696 19.506 3.691 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 1.965 7.625 -21.839 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 1.755 6.885 -21.269 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 1.785 7.305 -22.729 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 1.921 19.105 18.331 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 1.591 18.245 18.051 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 2.681 18.905 18.871 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -14.514 8.317 -8.465 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -15.384 8.717 -8.535 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -14.044 8.627 -9.235 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 -11.805 4.534 0.914 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 -11.725 4.964 1.774 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 -12.675 4.794 0.604 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 11.343 18.487 24.555 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.593 17.557 24.475 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.873 18.927 23.895 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 -19.470 -8.154 10.173 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 -18.600 -8.524 10.063 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -19.980 -8.534 9.453 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -12.365 4.286 -14.847 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.895 5.086 -15.087 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -12.815 4.026 -15.657 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -20.467 10.304 -12.813 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -19.827 10.484 -13.503 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -20.417 9.364 -12.663 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -20.365 7.560 15.462 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -21.235 7.180 15.612 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -20.005 7.050 14.732 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 6.697 -4.812 0.433 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 7.237 -4.582 -0.317 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 6.977 -5.702 0.663 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 -1.835 24.323 3.919 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 -1.065 24.503 4.469 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 -1.735 24.923 3.179 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 19.156 -17.058 2.865 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 19.956 -17.158 2.355 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 19.376 -17.368 3.735 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -6.439 12.725 -24.037 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -6.439 13.655 -23.827 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -7.339 12.445 -23.877 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 19.284 -20.994 17.023 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 19.924 -21.314 16.383 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 18.594 -21.654 17.013 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 23.894 -9.614 9.869 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 24.474 -9.634 10.629 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 24.384 -10.084 9.189 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 2.020 2.245 -18.249 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 1.390 2.705 -17.699 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 1.970 1.335 -17.959 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 2.776 21.005 -5.951 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 2.796 20.855 -5.011 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 1.886 21.285 -6.131 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -25.005 -4.789 -21.061 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -25.085 -3.859 -20.891 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -24.335 -4.859 -21.741 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 7.164 10.217 6.177 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 7.054 10.777 5.407 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 6.334 9.757 6.277 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 19.234 1.722 20.973 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 19.994 1.152 20.833 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 18.804 1.772 20.123 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 7.055 -12.514 13.315 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 6.145 -12.764 13.175 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 7.465 -13.294 13.695 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -16.354 -11.674 -24.357 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -16.234 -11.084 -23.607 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -17.254 -11.974 -24.277 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 1.594 6.153 -15.351 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 2.294 6.233 -14.701 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 2.054 6.083 -16.181 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 -1.574 23.394 -23.527 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 -1.934 24.084 -22.957 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 -1.844 22.584 -23.107 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.857 7.733 11.193 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 10.477 8.343 10.793 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.417 8.243 11.873 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 7.594 -21.485 -7.441 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 8.114 -21.445 -6.631 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 7.914 -22.275 -7.881 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 10.183 -11.033 -12.286 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 10.873 -10.503 -12.676 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 9.473 -11.033 -12.926 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 21.472 -10.995 -23.589 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 22.032 -10.355 -24.029 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 21.222 -10.555 -22.769 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 -23.595 -8.664 24.561 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 -22.715 -8.294 24.661 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 -24.175 -8.024 24.981 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 -24.034 -20.166 5.033 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 -23.494 -20.946 4.913 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 -24.914 -20.446 4.803 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 0.504 -9.546 2.995 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -0.376 -9.806 3.275 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 1.044 -10.316 3.175 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 19.167 -1.573 -20.167 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 18.947 -1.343 -21.067 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 18.637 -2.353 -19.977 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 -13.244 23.163 11.215 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 -12.824 22.983 10.375 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 -13.974 22.533 11.255 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -21.841 23.804 4.647 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -22.001 24.614 4.157 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -21.171 23.354 4.137 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 -15.456 -22.046 10.995 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 -15.926 -21.296 10.635 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 -15.316 -21.816 11.915 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 12.656 6.263 14.029 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 11.716 6.323 13.849 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 12.846 5.323 14.009 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 -3.497 12.626 -23.965 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 -2.977 12.606 -23.165 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 -4.407 12.596 -23.665 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.729 -15.493 6.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 -1.219 -15.413 5.465 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 0.181 -15.603 6.015 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 -23.457 10.372 -24.179 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 -23.797 10.932 -24.879 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 -23.217 9.552 -24.619 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 23.812 -22.674 11.343 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 22.952 -23.014 11.083 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 23.622 -22.004 11.983 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 19.596 15.157 -6.575 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 19.326 14.607 -5.845 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 18.796 15.587 -6.875 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 24.035 12.145 23.467 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 23.225 12.305 22.997 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 23.765 11.725 24.287 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 8.912 16.561 12.695 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 9.862 16.641 12.835 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 8.582 17.451 12.835 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -19.106 -3.516 -11.543 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -18.656 -4.236 -11.093 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -19.376 -2.926 -10.833 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 22.315 12.904 4.924 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 22.915 12.894 5.674 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 22.615 12.174 4.374 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 7.125 -0.758 -22.426 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 7.875 -1.338 -22.316 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 7.315 -0.278 -23.246 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 -13.988 -18.907 7.693 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 -13.308 -19.487 8.023 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 -14.668 -19.487 7.363 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 22.823 17.684 11.107 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 23.693 17.624 11.507 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 22.853 17.084 10.357 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 18.604 -12.638 5.583 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 18.384 -11.828 6.043 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 18.874 -12.358 4.713 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 20.225 2.744 11.017 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 19.845 3.274 11.717 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 21.165 2.944 11.057 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 -7.861 -5.583 9.363 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 -8.491 -6.223 9.683 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 -7.141 -5.603 10.003 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 21.774 3.501 -10.099 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 21.944 3.591 -9.159 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 22.354 4.141 -10.509 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -2.248 3.296 5.208 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -1.408 3.706 5.388 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -2.738 3.956 4.718 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 -0.937 0.626 21.045 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 -0.367 -0.054 20.685 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 -0.837 0.546 21.995 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 15.463 -13.366 -9.311 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 16.073 -12.666 -9.581 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 16.013 -14.136 -9.231 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 -15.884 7.992 1.345 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 -16.064 8.872 1.675 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 -16.744 7.562 1.325 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -22.894 17.922 12.203 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -22.774 17.702 13.123 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -22.764 17.092 11.743 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 17.665 -4.816 18.239 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 17.135 -4.056 18.499 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 18.575 -4.546 18.429 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 10.276 -19.383 -3.325 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 10.886 -20.123 -3.385 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 10.776 -18.703 -2.885 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 8.860 -11.727 -5.827 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 8.450 -12.137 -6.587 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 8.590 -12.277 -5.087 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 -16.895 7.565 20.781 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 -17.835 7.635 20.941 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 -16.575 8.465 20.871 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 13.002 -19.923 4.913 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 13.782 -20.483 4.963 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 12.832 -19.843 3.973 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 12.832 -20.661 -4.247 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 13.102 -21.531 -3.967 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 13.252 -20.061 -3.627 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 -10.095 7.513 12.579 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 -9.265 7.123 12.869 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 -10.005 7.593 11.629 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -17.788 6.739 3.385 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -18.388 6.359 4.025 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -16.928 6.689 3.795 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 16.313 -8.366 -10.383 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 16.073 -7.446 -10.273 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 16.893 -8.546 -9.643 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 15.175 -25.145 16.834 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 14.455 -24.815 17.384 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 15.085 -24.685 16.005 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 3.249 -17.266 -14.389 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 2.639 -16.746 -13.879 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 2.839 -18.126 -14.449 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 7.220 -14.276 5.631 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 7.750 -14.346 4.841 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 7.850 -14.326 6.351 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 10.925 23.776 24.505 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 10.375 24.266 23.895 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 10.465 23.826 25.345 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 11.966 -19.890 13.339 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 11.586 -20.130 12.499 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 11.536 -19.060 13.569 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 9.004 -18.117 15.483 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 8.234 -17.597 15.683 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 9.214 -18.567 16.303 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 22.467 1.673 14.021 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 23.317 1.253 14.181 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 21.827 0.963 14.121 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -9.786 7.217 21.005 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -9.226 6.927 20.275 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -9.696 6.527 21.655 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 -14.995 -7.219 -1.237 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 -15.095 -8.079 -1.637 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 -14.495 -6.709 -1.877 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -21.306 9.672 -2.283 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -20.946 10.552 -2.213 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -20.646 9.192 -2.793 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 0.179 23.352 -10.311 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -0.231 22.612 -9.871 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -0.481 23.662 -10.931 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 14.253 0.204 -17.486 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 14.023 1.004 -17.006 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 15.193 0.274 -17.636 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 8.845 -14.575 -22.029 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 8.225 -13.905 -22.309 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 8.325 -15.175 -21.489 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 -1.824 12.923 19.824 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 -2.284 13.333 20.565 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 -2.454 12.963 19.104 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 14.255 -15.059 -13.321 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 13.755 -14.529 -13.951 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 15.155 -14.759 -13.431 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 5.584 -6.188 -22.815 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 5.614 -5.268 -23.105 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 4.674 -6.458 -22.995 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 9.084 -17.772 3.788 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 9.484 -16.982 3.428 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 8.654 -17.482 4.598 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 -4.175 2.685 22.119 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 -4.255 1.765 21.869 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 -4.095 2.655 23.079 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -24.880 -16.096 0.859 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -24.860 -16.736 0.159 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -25.550 -16.416 1.469 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -9.467 -12.108 -7.979 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -8.557 -11.878 -8.159 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -9.947 -11.788 -8.739 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -5.354 -17.885 11.673 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -4.534 -17.435 11.873 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -5.104 -18.795 11.563 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 18.624 5.133 -6.157 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 18.924 4.223 -6.107 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 18.534 5.413 -5.247 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 6.303 -3.580 9.389 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 7.073 -3.150 9.019 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 5.603 -2.940 9.289 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -11.914 -17.695 -4.446 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -12.864 -17.695 -4.516 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -11.604 -17.895 -5.336 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -20.707 24.073 16.359 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -21.177 23.473 16.929 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -21.197 24.063 15.539 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 13.087 11.534 19.369 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 12.957 10.854 18.699 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 13.257 12.334 18.869 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 10.736 17.221 20.649 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 11.696 17.201 20.599 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 10.446 17.021 19.759 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 -4.211 11.862 -11.651 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 -5.021 12.352 -11.561 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 -3.591 12.322 -11.091 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 21.837 22.863 -22.725 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 21.267 23.443 -22.225 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 22.597 22.733 -22.145 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 12.655 -13.887 -15.179 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 13.355 -14.197 -15.749 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 11.915 -14.457 -15.369 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -14.608 -15.597 -13.491 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -14.758 -16.527 -13.641 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -14.528 -15.227 -14.371 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 19.823 10.006 -2.333 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 19.123 10.326 -1.763 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 20.043 10.756 -2.893 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 23.023 -11.898 -9.969 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 22.583 -12.038 -9.129 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 23.373 -12.768 -10.199 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 -2.145 -12.316 -11.447 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 -1.715 -12.996 -10.927 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 -2.265 -11.586 -10.837 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 16.533 5.281 7.609 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 17.133 4.691 8.059 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 16.233 5.891 8.289 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 24.575 -6.182 -13.229 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 25.045 -5.412 -13.559 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 24.335 -6.672 -14.019 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 22.165 24.843 7.371 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 22.745 24.513 6.691 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 22.555 24.533 8.191 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 -8.766 20.473 15.681 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -8.396 20.583 16.561 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -9.656 20.833 15.751 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 12.962 22.285 -19.545 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 13.352 22.515 -18.705 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 13.632 21.775 -19.995 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 -19.927 20.455 -20.251 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 -20.697 20.075 -20.671 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 -19.977 20.135 -19.351 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 -22.257 -19.728 -10.587 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 -22.777 -19.088 -11.087 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 -21.417 -19.748 -11.037 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -10.725 17.645 -7.379 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -9.805 17.655 -7.649 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -11.105 16.895 -7.839 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 -3.401 -18.758 -18.683 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 -3.941 -18.608 -19.453 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 -3.631 -19.648 -18.393 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 16.777 14.233 -3.047 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 15.917 14.403 -3.437 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 16.637 14.333 -2.107 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 -12.867 -1.979 4.345 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 -12.707 -2.379 5.194 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 -12.467 -1.109 4.394 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 23.910 16.085 8.719 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 24.490 16.135 7.959 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 23.050 15.875 8.359 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 -6.571 3.687 20.731 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 -5.971 3.117 20.241 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 -6.191 3.737 21.611 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 -5.959 -13.159 -11.759 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 -6.039 -12.289 -11.369 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 -5.559 -13.699 -11.069 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -14.588 23.557 -3.123 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -14.828 24.167 -2.433 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -15.248 22.867 -3.083 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 22.821 19.606 -10.462 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 23.731 19.716 -10.732 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 22.541 18.786 -10.862 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 -20.119 18.903 19.193 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 -19.679 19.123 20.023 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 -21.049 18.873 19.423 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 -7.640 -21.543 -21.131 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 -7.720 -20.963 -21.881 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 -7.120 -22.283 -21.451 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 14.716 -24.773 -15.170 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 14.236 -24.583 -15.980 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 15.506 -24.233 -15.230 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 6.365 16.914 18.409 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 7.025 16.244 18.249 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 5.635 16.444 18.809 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -9.190 -15.066 0.061 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -10.020 -15.146 0.541 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -9.220 -14.176 -0.299 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 -15.354 -9.863 14.274 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 -15.924 -10.473 13.804 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 -15.954 -9.233 14.664 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -19.518 -14.264 -15.006 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -19.918 -15.124 -15.056 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -19.358 -14.124 -14.066 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 7.530 -8.128 18.969 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 7.320 -7.458 19.629 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 7.680 -7.628 18.169 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 16.235 -5.815 13.671 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 15.505 -5.745 14.291 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 16.635 -6.665 13.861 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -10.126 -14.567 -15.605 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -9.716 -14.737 -16.445 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -9.446 -14.137 -15.085 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -22.703 22.932 17.907 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -22.813 23.852 18.147 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -23.473 22.492 18.267 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 -8.327 -6.314 -4.407 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 -7.667 -6.314 -5.107 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 -9.137 -6.054 -4.847 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 20.604 -2.783 20.935 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 21.394 -2.263 20.785 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 20.814 -3.313 21.705 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 -24.207 22.454 22.009 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 -24.747 22.304 22.789 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 -23.337 22.164 22.269 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 -23.294 -10.692 7.787 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 -22.534 -11.042 8.257 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 -22.944 -10.382 6.957 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 -5.686 5.553 6.267 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 -5.826 5.753 5.337 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 -6.566 5.583 6.647 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 9.985 -20.455 3.297 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 9.705 -21.335 3.547 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 9.555 -19.875 3.937 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 -24.181 1.292 11.215 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 -24.271 2.242 11.335 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 -23.421 1.062 11.745 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 -20.336 -15.017 -0.523 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 -20.086 -15.927 -0.703 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 -21.086 -15.087 0.067 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 1.384 2.035 -15.013 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 1.324 2.425 -14.143 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 1.814 2.705 -15.553 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 21.634 0.325 20.657 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 22.084 -0.105 21.387 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 21.834 -0.215 19.897 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 10.375 18.204 10.445 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 9.485 17.994 10.725 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 10.435 19.154 10.535 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 22.495 -18.199 -14.137 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 22.555 -18.519 -13.237 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 22.055 -17.349 -14.057 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 -1.508 8.865 -19.786 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 -1.428 9.185 -18.886 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 -2.348 8.415 -19.816 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 -10.360 23.193 -20.659 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 -9.970 24.063 -20.719 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 -10.060 22.723 -21.429 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 15.284 -6.956 -3.885 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 15.704 -6.196 -3.475 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 15.284 -7.636 -3.215 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 -21.173 -6.816 -9.292 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 -20.853 -6.356 -8.512 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 -21.993 -6.376 -9.502 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 13.390 10.357 -25.283 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 12.510 10.267 -24.933 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 13.650 9.467 -25.513 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 5.125 1.482 -1.142 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 4.325 1.982 -1.002 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 4.855 0.562 -1.022 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -4.409 -12.295 12.158 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -5.039 -11.865 11.578 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -3.669 -12.495 11.588 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 -2.389 5.704 21.279 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 -2.879 6.474 21.569 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 -2.909 4.964 21.559 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -3.976 18.862 -17.005 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -3.586 18.022 -17.235 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -4.576 18.662 -16.295 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -12.478 8.546 -6.562 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -11.578 8.846 -6.652 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -12.678 8.126 -7.402 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 6.885 -12.968 -17.068 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 6.275 -13.398 -17.668 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 7.735 -13.018 -17.518 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -3.035 -21.015 -23.451 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -2.265 -21.145 -22.891 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -2.675 -20.925 -24.331 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 4.406 3.812 -5.337 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 3.606 3.382 -5.067 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 5.036 3.102 -5.477 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 -14.523 13.023 25.119 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 -14.053 12.333 24.649 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 -13.833 13.583 25.469 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 5.707 21.576 13.814 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 6.567 21.276 13.514 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 5.267 21.886 13.014 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 -17.536 15.392 -1.245 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 -16.746 14.972 -1.595 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 -18.206 14.712 -1.315 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 -1.174 -3.526 20.771 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 -0.694 -4.246 20.361 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 -1.554 -3.916 21.561 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -22.363 -16.816 21.439 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -21.993 -17.406 20.779 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -21.893 -15.986 21.319 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 -6.146 -14.245 -16.999 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 -5.936 -13.485 -16.469 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 -6.586 -13.885 -17.769 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 -10.674 -1.458 19.165 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 -9.724 -1.418 19.265 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 -10.944 -0.558 18.995 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 8.607 -17.263 -11.301 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 9.287 -16.673 -11.601 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 7.927 -16.693 -10.951 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 -15.221 -1.244 20.901 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 -15.051 -1.974 21.491 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 -15.401 -1.654 20.051 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 -17.641 1.185 4.033 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 -16.771 1.555 3.903 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 -17.941 0.945 3.153 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 22.637 4.759 -13.467 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 22.547 3.989 -14.017 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 21.737 4.969 -13.197 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -4.363 -5.883 1.031 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -4.673 -6.693 0.621 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -3.453 -6.073 1.271 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 0.565 -0.058 6.748 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -0.205 0.472 6.508 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 0.255 -0.618 7.458 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -16.514 4.994 -16.377 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -16.484 5.404 -17.247 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -15.634 5.134 -16.027 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 24.726 -7.536 -3.503 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 23.886 -7.466 -3.953 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 24.516 -7.336 -2.583 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 17.634 21.036 0.377 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 17.734 21.396 -0.503 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 17.394 20.126 0.247 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 2.252 22.963 23.101 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 1.862 23.273 22.281 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 3.192 23.053 22.971 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 5.514 -21.659 6.563 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 5.784 -20.759 6.383 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 4.754 -21.559 7.143 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -9.669 15.015 -19.581 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -9.059 15.305 -18.911 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -10.069 14.225 -19.211 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 3.473 13.840 18.521 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 2.573 13.580 18.311 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 3.623 14.610 17.981 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -11.084 22.884 13.295 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -10.134 22.994 13.255 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -11.364 22.934 12.385 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 4.647 0.255 -4.815 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 5.067 0.085 -3.975 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 5.337 0.645 -5.355 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 -1.169 12.576 -17.165 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 -0.819 13.156 -16.495 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 -0.829 11.706 -16.935 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 22.654 20.193 23.711 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 23.284 19.603 23.281 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 21.834 19.703 23.701 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 -8.214 -5.884 22.121 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 -8.084 -5.374 21.331 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 -7.494 -5.614 22.701 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 -13.733 -17.906 0.915 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 -12.983 -18.186 1.445 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 -13.613 -18.376 0.085 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -1.091 0.315 -14.217 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -1.501 1.075 -13.807 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -0.271 0.655 -14.567 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 -7.317 -4.297 2.099 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 -8.127 -4.707 1.799 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 -6.737 -4.317 1.339 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -0.564 -22.629 -3.677 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -0.914 -21.759 -3.517 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 0.146 -22.719 -3.047 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 11.826 -16.658 17.488 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 12.326 -17.478 17.508 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 11.016 -16.858 17.958 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 -4.347 -16.224 -21.652 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 -5.207 -16.274 -21.242 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 -3.997 -17.124 -21.582 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 7.754 -22.716 -15.943 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 8.464 -23.306 -15.693 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 7.854 -22.616 -16.893 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 16.224 20.513 -15.827 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 16.794 21.263 -15.997 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 16.814 19.833 -15.487 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 -6.713 -15.867 24.874 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 -7.073 -14.987 24.894 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 -7.163 -16.327 25.574 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 13.332 13.898 -10.616 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 13.792 13.058 -10.706 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 13.942 14.458 -10.146 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -17.324 0.866 -13.023 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -16.574 1.096 -12.473 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -16.934 0.396 -13.763 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 15.682 -11.514 17.754 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 16.172 -10.904 17.194 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 15.582 -12.304 17.224 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 24.665 -14.096 24.779 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 24.375 -14.226 23.869 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 25.615 -14.016 24.719 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 -18.449 25.301 -15.167 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 -17.629 25.021 -15.557 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 -18.299 25.251 -14.227 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 23.740 2.476 -0.993 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 23.090 3.086 -0.673 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 24.580 2.866 -0.763 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 -1.486 -20.594 1.781 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 -1.616 -20.524 2.721 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 -2.186 -20.074 1.391 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 10.365 5.064 -7.577 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 11.175 4.864 -8.047 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 9.925 5.714 -8.127 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 -4.794 -2.777 -2.892 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 -5.504 -2.767 -2.242 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 -5.234 -2.797 -3.742 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 14.766 -2.108 -10.769 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 15.206 -2.068 -9.909 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 14.406 -1.228 -10.889 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -1.665 9.304 -10.655 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -2.055 10.114 -10.345 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -1.385 8.844 -9.865 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 19.115 -10.697 -0.715 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 19.105 -9.737 -0.715 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 18.635 -10.947 0.065 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 6.506 11.033 3.689 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 5.826 10.523 3.259 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 7.226 11.043 3.059 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 24.105 -17.436 2.525 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 24.955 -17.826 2.705 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 24.045 -16.696 3.135 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 14.285 14.924 -13.817 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 13.935 14.174 -14.297 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 14.515 15.554 -14.497 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 14.349 2.876 22.483 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 13.929 3.726 22.353 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 13.629 2.286 22.703 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -6.065 10.162 23.320 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -6.335 10.842 22.700 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -5.925 9.382 22.770 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 1.815 -10.366 24.704 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 2.195 -11.066 25.224 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 2.485 -10.176 24.044 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 8.033 -6.043 8.286 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 8.583 -6.023 9.066 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 7.393 -5.343 8.416 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -10.523 16.055 -10.231 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -10.453 15.115 -10.431 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -9.913 16.195 -9.511 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 -1.246 21.907 -21.322 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 -1.146 22.787 -20.962 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 -0.646 21.367 -20.812 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 21.634 -11.474 11.599 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 22.294 -11.554 10.909 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 21.534 -12.354 11.949 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 3.153 8.744 -3.677 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 3.983 9.084 -3.997 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 3.253 7.794 -3.707 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 4.594 -7.369 -5.311 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 5.144 -7.859 -5.921 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 4.084 -8.029 -4.851 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 -5.395 17.646 -19.327 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 -4.995 18.456 -19.007 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 -5.755 17.876 -20.177 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 20.877 6.881 -15.701 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 21.057 6.921 -16.641 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 20.437 6.041 -15.571 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -24.578 21.084 -6.669 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -24.088 20.374 -7.099 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -24.218 21.884 -7.049 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -13.223 -6.878 -18.139 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -12.793 -6.028 -18.229 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -13.323 -6.998 -17.199 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 17.811 -24.144 -24.939 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 18.741 -24.164 -25.169 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 17.371 -24.534 -25.689 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.606 13.503 -17.633 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -2.696 13.203 -17.643 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -4.126 12.703 -17.613 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 6.073 14.382 21.401 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 6.493 14.712 22.191 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 6.793 14.082 20.851 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 -21.115 -3.507 -9.379 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 -21.525 -2.827 -8.839 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 -21.785 -3.747 -10.009 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 6.922 4.182 15.559 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 6.752 5.122 15.559 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 6.072 3.782 15.359 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 -0.264 9.324 10.153 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 0.476 9.774 9.753 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 -0.494 9.874 10.913 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 22.000 -5.380 -15.743 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 22.220 -5.670 -16.633 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 22.580 -4.640 -15.583 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 6.626 5.232 2.738 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 7.376 5.782 2.948 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 6.786 4.412 3.218 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 16.812 15.826 2.693 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 17.382 15.806 1.923 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 17.122 15.106 3.243 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 -18.581 21.647 -22.659 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 -19.181 21.407 -21.949 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 -17.711 21.607 -22.269 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 11.696 -14.257 0.548 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 11.326 -13.387 0.688 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 12.396 -14.337 1.198 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 -17.687 24.025 4.475 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 -18.497 24.035 4.975 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 -17.057 23.575 5.045 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 20.794 -3.763 23.469 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 20.724 -3.793 24.419 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 21.724 -3.873 23.289 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 -7.003 24.002 14.061 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 -6.133 24.342 14.261 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 -7.593 24.472 14.651 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 2.944 -22.255 -16.221 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 3.444 -22.265 -17.031 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 3.584 -22.095 -15.531 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 -1.356 11.144 12.544 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 -0.706 11.684 12.994 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 -2.186 11.364 12.985 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 3.265 -16.133 -6.595 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 3.805 -15.583 -7.175 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 3.865 -16.813 -6.295 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 12.474 -12.744 -21.182 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 11.934 -12.134 -20.682 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 13.144 -13.034 -20.562 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 10.293 3.107 20.663 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 10.613 2.277 21.033 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 11.073 3.517 20.293 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 0.417 -1.696 11.133 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 0.347 -0.866 10.663 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -0.093 -1.556 11.933 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -6.791 21.157 13.895 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -6.661 21.167 14.845 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -6.721 22.077 13.635 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -14.327 14.415 21.434 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -15.237 14.385 21.744 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -14.387 14.225 20.494 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 12.774 21.455 24.461 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 12.414 22.285 24.771 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 12.254 21.245 23.691 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 -20.108 -18.349 -8.035 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 -21.008 -18.669 -8.135 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 -20.178 -17.689 -7.335 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 8.584 20.067 16.203 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 8.014 20.817 16.363 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 8.534 19.547 17.003 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -24.666 -11.596 0.008 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -23.746 -11.466 -0.222 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -24.686 -11.536 0.968 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -9.674 19.557 -3.507 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -10.074 19.897 -2.707 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -9.074 20.247 -3.787 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 21.535 -13.453 -18.623 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 22.165 -13.103 -19.263 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 20.815 -13.793 -19.163 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 17.404 18.214 17.579 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 17.634 18.444 18.479 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 16.464 18.074 17.599 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 20.104 3.228 0.637 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 19.874 4.158 0.597 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 19.354 2.818 1.077 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 11.567 10.458 22.527 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 11.507 10.768 23.437 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 11.707 9.518 22.607 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -7.330 17.864 3.467 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -8.140 18.034 3.937 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -7.250 16.914 3.437 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 -24.175 -5.788 -9.447 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 -24.275 -5.738 -8.497 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 -24.405 -6.688 -9.667 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -2.710 14.214 -20.495 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -3.630 14.154 -20.775 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -2.760 14.324 -19.545 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -16.218 13.963 19.153 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -15.928 13.083 19.403 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -16.788 14.243 19.863 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -1.794 17.203 -2.939 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -0.964 16.953 -3.359 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -2.174 16.373 -2.649 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 -12.007 -17.984 -7.353 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 -12.577 -17.234 -7.223 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 -11.187 -17.614 -7.693 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 8.755 -14.506 16.121 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 9.605 -14.806 16.461 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 8.405 -13.956 16.821 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 -8.537 6.745 -9.416 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 -8.697 6.365 -10.276 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 -7.917 7.465 -9.586 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 14.555 5.316 3.631 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 14.625 4.636 2.971 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 14.635 6.136 3.141 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 -8.794 5.586 -15.071 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 -8.024 5.026 -15.141 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 -9.044 5.766 -15.981 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -22.397 -18.365 -15.303 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -23.267 -18.235 -15.663 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -22.247 -19.305 -15.353 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 18.761 -10.086 -11.281 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 19.091 -10.976 -11.411 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 19.211 -9.566 -11.941 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 -8.754 -23.719 13.003 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 -9.584 -23.759 12.523 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 -9.014 -23.689 13.923 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 21.713 20.367 11.832 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 21.903 19.437 11.692 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 22.453 20.687 12.342 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -22.595 -21.605 23.783 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -23.395 -21.355 24.243 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -21.965 -20.935 24.043 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 -12.654 -21.307 -17.653 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 -12.574 -22.267 -17.643 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 -12.934 -21.077 -16.773 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 -24.634 0.922 -14.495 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 -24.394 1.832 -14.625 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 -25.424 0.952 -13.945 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 23.130 -7.416 -11.036 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 22.400 -7.286 -11.646 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 23.660 -6.626 -11.126 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 0.850 -6.717 14.674 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -0.000 -6.377 14.964 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 1.490 -6.107 15.044 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 15.355 -23.119 14.997 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 16.125 -23.059 14.437 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 15.485 -22.439 15.657 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 12.743 19.705 2.105 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 13.293 20.385 2.515 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 13.063 18.885 2.485 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 5.534 -24.447 -15.556 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 5.724 -23.617 -15.996 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 5.954 -24.357 -14.706 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 -21.263 -8.738 8.008 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 -22.033 -8.208 7.778 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 -21.193 -9.378 7.298 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 20.256 -12.367 -12.171 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 21.176 -12.447 -12.401 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 20.156 -12.907 -11.381 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 17.303 -17.666 -9.909 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 18.113 -18.036 -10.239 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 16.743 -18.416 -9.739 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -8.573 -6.855 -8.797 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -8.773 -6.595 -9.697 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -9.383 -7.235 -8.457 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 9.443 2.726 -9.828 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 10.223 3.116 -9.428 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 9.703 1.826 -10.018 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -15.145 -1.249 -12.749 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -14.205 -1.219 -12.619 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -15.345 -0.459 -13.249 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 3.273 -5.295 17.535 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.393 -5.635 16.655 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.043 -4.745 17.685 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 -7.433 -15.813 22.163 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 -7.363 -15.183 22.883 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 -6.983 -16.593 22.483 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 -12.074 -10.467 -13.169 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 -12.324 -11.367 -13.349 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 -12.654 -9.937 -13.729 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.554 16.213 2.704 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 10.934 15.543 2.985 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.014 16.973 2.484 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 -14.684 19.284 -14.219 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 -14.394 19.404 -13.319 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 -14.494 18.364 -14.409 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 4.847 -14.964 -8.849 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 5.327 -15.414 -9.539 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 4.947 -14.034 -9.039 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -17.699 9.707 -12.735 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -17.649 8.747 -12.665 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -18.369 9.957 -12.095 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 -15.837 4.545 -9.846 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 -15.797 4.415 -8.906 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 -16.767 4.735 -10.016 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 -9.216 -17.698 1.041 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 -9.816 -18.228 0.511 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 -9.446 -16.788 0.821 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 12.122 -20.107 1.394 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 11.992 -19.187 1.194 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 11.392 -20.327 1.974 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 7.677 8.145 -1.515 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 8.237 8.375 -0.785 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 6.787 8.195 -1.165 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 0.423 -1.594 -12.492 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 1.293 -1.244 -12.342 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 0.013 -0.984 -13.102 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 23.433 -18.435 -3.589 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 24.273 -18.025 -3.739 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 23.513 -18.835 -2.719 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 -21.815 4.123 10.943 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 -21.095 4.603 11.363 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 -21.425 3.293 10.673 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 24.543 -13.996 8.773 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 24.933 -14.706 8.263 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 24.483 -13.266 8.163 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 7.071 -7.335 13.815 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 7.361 -6.525 13.385 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 6.471 -7.725 13.185 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 10.155 13.282 15.804 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 10.115 14.202 16.044 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 10.955 13.202 15.274 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 0.812 12.158 19.845 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 0.342 11.968 20.655 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 0.122 12.268 19.185 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 1.477 1.953 22.509 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 0.727 2.493 22.749 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 1.307 1.713 21.599 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 10.849 19.233 -8.661 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 10.209 18.603 -9.021 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 10.379 20.063 -8.651 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 -1.036 -3.143 -10.767 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 -1.866 -2.983 -11.217 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 -0.366 -2.903 -11.417 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 19.687 -10.581 24.022 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 19.857 -10.391 24.942 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 19.317 -11.461 24.022 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 -22.675 -25.017 -16.511 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 -22.545 -24.467 -15.731 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 -23.325 -24.547 -17.031 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 -0.159 22.683 19.675 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 -0.719 23.213 20.245 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 0.051 21.913 20.205 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 -6.894 -16.715 -10.157 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 -7.714 -16.955 -10.597 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 -6.794 -17.375 -9.467 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 -14.646 11.564 19.262 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 -14.366 10.664 19.442 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 -13.946 11.924 18.712 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 -2.875 -12.067 -1.871 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 -3.075 -12.977 -2.081 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 -2.995 -11.597 -2.691 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 13.770 -8.758 -15.699 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 13.350 -7.918 -15.869 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 13.100 -9.418 -15.909 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 14.146 7.493 1.889 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 14.176 7.543 0.939 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.906 7.993 2.189 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.497 19.662 -23.809 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 13.507 18.892 -24.379 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 12.877 20.262 -24.219 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 17.562 -17.316 0.339 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 18.122 -17.176 1.109 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 18.072 -16.976 -0.391 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 16.432 13.684 9.108 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 16.062 14.554 8.968 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 15.692 13.084 8.978 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 11.094 18.004 -14.505 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 10.584 18.034 -13.685 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 12.004 17.954 -14.215 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 -8.293 -21.760 21.901 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 -7.983 -22.260 22.661 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 -9.213 -21.570 22.101 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -2.991 -6.478 4.809 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -3.161 -6.338 3.869 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -3.151 -7.408 4.939 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 -8.507 -2.424 7.009 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 -7.637 -2.514 6.619 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 -9.067 -2.974 6.459 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 24.410 -15.166 -19.996 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 24.900 -15.006 -19.196 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 24.300 -14.306 -20.386 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 -21.273 -18.323 24.439 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 -20.533 -18.943 24.379 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 -21.603 -18.263 23.539 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 10.082 -6.617 13.835 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 10.802 -7.237 13.955 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 10.412 -5.977 13.215 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -19.254 -24.355 -2.629 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -19.574 -23.475 -2.439 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -18.344 -24.225 -2.909 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 19.764 22.404 -24.749 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 18.964 21.964 -24.459 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 20.364 22.334 -24.009 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 -10.574 9.667 0.101 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 -11.184 10.397 0.061 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 -10.854 9.067 -0.589 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 15.754 21.322 20.844 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 14.864 21.602 21.054 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 16.064 21.952 20.184 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -11.376 -14.074 -23.793 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -10.636 -13.544 -24.083 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -12.136 -13.524 -23.953 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.773 6.129 -4.106 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 3.093 5.709 -3.575 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 4.243 5.399 -4.506 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -19.039 12.152 10.410 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -18.469 11.552 9.930 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -18.919 12.992 9.970 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 16.101 20.325 -25.129 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 15.241 20.535 -24.769 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 16.111 19.365 -25.189 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 4.382 -1.645 23.879 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 3.612 -2.185 23.719 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 4.322 -0.945 23.219 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -10.838 8.704 -23.310 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -11.508 8.434 -23.940 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -10.278 7.934 -23.210 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -11.028 7.026 9.043 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -10.268 6.506 8.783 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -11.778 6.486 8.803 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 -14.325 14.945 -5.321 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 -14.225 14.065 -5.661 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 -15.195 15.215 -5.621 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 10.232 -22.556 19.401 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 10.682 -21.746 19.181 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 9.542 -22.286 20.011 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 -11.349 23.315 -17.887 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 -11.459 23.025 -18.797 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 -10.829 24.115 -17.957 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 -23.567 23.795 -0.722 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 -22.847 24.125 -1.262 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 -23.177 23.055 -0.252 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 18.814 -24.277 -8.413 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 17.994 -23.787 -8.373 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 19.064 -24.247 -9.333 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 -23.497 -22.130 20.871 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 -23.507 -21.860 21.791 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 -24.287 -21.740 20.501 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 9.364 4.366 11.064 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 9.114 5.296 11.014 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 10.074 4.276 10.434 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 -4.585 -18.080 -10.849 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 -5.185 -17.480 -11.299 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 -4.055 -18.460 -11.549 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 9.224 -7.368 10.707 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 8.394 -7.668 10.337 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 9.204 -7.688 11.607 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 8.992 -6.856 21.861 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 9.322 -7.176 21.021 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 9.782 -6.586 22.331 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 1.683 -19.788 -15.753 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 1.313 -19.958 -14.883 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 2.153 -20.598 -15.963 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 16.949 4.605 -22.573 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 17.579 4.815 -23.263 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 17.249 5.105 -21.813 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 -16.351 21.681 -12.485 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 -17.131 22.231 -12.535 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 -16.071 21.581 -13.395 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 13.214 -22.797 17.139 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 12.684 -23.437 17.609 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 12.614 -22.087 16.919 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 5.323 -18.796 17.691 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 4.413 -19.086 17.711 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 5.353 -18.136 16.991 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 23.065 -20.148 16.003 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 22.955 -19.328 15.523 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 23.995 -20.178 16.243 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 11.695 -6.819 22.949 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 11.375 -7.579 23.429 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 12.495 -7.129 22.519 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -2.788 -8.616 13.038 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -3.098 -7.716 13.048 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -3.268 -9.056 13.738 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 12.175 7.223 -13.803 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 12.465 6.783 -13.003 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 11.225 7.323 -13.703 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -3.366 -13.913 -18.209 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -4.066 -14.413 -17.789 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -2.906 -14.563 -18.749 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -2.989 5.706 3.412 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -2.169 6.186 3.402 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.339 5.796 2.522 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 22.804 22.757 -13.859 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 23.304 22.307 -13.179 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 22.694 22.107 -14.549 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 7.874 -21.119 17.961 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 8.664 -20.589 18.061 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 7.684 -21.079 17.021 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 -22.425 -11.534 -7.769 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 -22.735 -12.304 -8.249 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 -21.505 -11.714 -7.579 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 13.133 -8.349 -20.689 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 13.273 -9.289 -20.559 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 12.193 -8.249 -20.809 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 2.347 18.274 -20.493 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 2.767 17.564 -20.973 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 1.737 17.844 -19.903 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 -19.157 23.745 -0.089 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 -19.267 22.805 -0.219 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 -19.477 24.135 -0.899 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 2.584 24.925 3.825 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 1.644 24.845 3.945 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 2.834 25.705 4.325 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 13.036 -6.526 19.483 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 13.206 -7.466 19.533 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 13.896 -6.126 19.443 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 7.086 -24.019 -18.689 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 7.606 -23.809 -19.459 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 6.396 -24.599 -19.009 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 2.335 -7.984 1.355 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 3.255 -7.884 1.625 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 1.905 -8.364 2.125 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 1.370 15.714 14.583 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 0.610 15.174 14.403 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 1.180 16.134 15.413 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 8.646 -9.867 -20.029 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 7.966 -10.057 -20.669 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 8.696 -10.657 -19.479 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -10.971 17.363 23.044 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -10.271 16.723 22.904 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -11.671 16.853 23.444 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 -9.133 -1.008 22.745 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 -9.253 -0.088 23.005 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 -9.923 -1.448 23.075 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 -15.825 -15.191 -1.631 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 -16.185 -15.611 -2.411 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 -14.915 -15.481 -1.611 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 7.146 8.030 -25.317 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 6.986 7.680 -24.437 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 6.896 7.320 -25.907 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 -5.235 -3.884 -8.929 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 -4.295 -3.694 -8.859 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 -5.665 -3.094 -8.629 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 18.623 7.904 -3.683 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 18.853 6.974 -3.713 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 19.423 8.344 -3.393 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 11.606 22.715 -5.699 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 12.376 23.285 -5.729 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 11.956 21.835 -5.639 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 16.299 -22.348 -15.466 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 15.989 -21.698 -16.096 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 16.439 -21.858 -14.656 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 1.062 -17.090 -8.526 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 1.662 -16.750 -7.866 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 0.402 -16.410 -8.626 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 -16.525 -5.715 13.327 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 -16.265 -5.795 12.407 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 -16.735 -6.605 13.597 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 5.413 -1.085 9.079 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 5.053 -0.285 8.699 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 5.113 -1.085 9.979 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -23.575 22.362 6.815 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -23.855 21.492 6.515 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.015 22.682 6.105 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -24.419 16.141 -19.916 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -23.479 15.961 -19.966 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -24.729 15.611 -19.176 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 15.964 -11.437 -17.929 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 16.604 -11.677 -18.599 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 15.124 -11.447 -18.379 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 24.482 8.654 -1.699 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 24.332 9.244 -2.439 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 24.852 9.224 -1.009 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -9.058 -22.944 6.799 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -9.808 -23.404 6.429 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -8.658 -23.584 7.389 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 -8.538 -11.105 -10.439 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 -9.158 -10.415 -10.679 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 -8.908 -11.905 -10.809 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 24.294 -8.486 -22.616 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 24.404 -8.846 -21.736 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 23.804 -7.676 -22.486 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 -12.898 -12.657 9.603 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 -12.038 -12.547 9.193 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 -13.518 -12.707 8.873 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -18.437 1.926 6.449 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -18.167 1.766 5.549 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -17.917 2.676 6.729 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 -4.400 5.951 1.134 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 -4.220 6.241 0.234 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 -5.290 5.591 1.094 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 10.103 -12.388 13.724 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 10.183 -12.218 12.784 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 9.503 -11.708 14.044 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 -1.505 -15.035 -4.166 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 -2.185 -14.375 -4.066 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 -0.725 -14.545 -4.405 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -6.709 9.776 -20.556 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -7.179 8.956 -20.726 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -7.139 10.416 -21.116 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 12.736 0.332 19.504 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 12.616 -0.348 18.834 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 13.256 -0.098 20.184 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 -23.667 7.691 6.867 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 -23.977 8.031 6.027 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 -24.247 6.951 7.057 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 -9.635 -25.288 -9.929 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 -8.925 -25.008 -10.509 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 -9.705 -24.588 -9.279 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -2.576 -9.485 -3.627 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -2.626 -9.145 -2.737 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -3.096 -8.875 -4.147 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 6.015 21.691 16.469 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 6.185 22.621 16.619 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 5.805 21.631 15.539 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 0.483 19.026 -1.693 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 0.093 18.376 -1.103 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 0.193 19.866 -1.343 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 24.135 -4.134 -9.531 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 24.745 -4.834 -9.751 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 23.705 -4.424 -8.731 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 11.969 24.394 -15.055 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 11.569 23.534 -14.925 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 11.309 24.904 -15.535 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 -9.627 -2.857 9.975 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 -8.947 -2.757 9.315 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 -9.587 -2.047 10.485 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 23.503 -23.414 7.813 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 23.073 -24.264 7.763 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 22.933 -22.824 7.313 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 18.802 -19.315 -15.980 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 19.572 -18.755 -15.950 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 19.162 -20.195 -16.120 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 10.304 14.174 6.397 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 10.354 13.404 6.947 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 11.134 14.624 6.537 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -11.396 -9.775 -19.441 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -11.616 -9.515 -20.331 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -12.136 -10.325 -19.171 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -8.273 -17.525 5.468 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -9.213 -17.725 5.498 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -8.013 -17.715 4.568 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 17.463 4.687 4.681 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 17.653 3.847 5.101 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 17.563 5.327 5.381 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 -4.077 16.484 8.999 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 -3.807 17.084 8.299 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 -4.777 16.954 9.449 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 14.932 1.005 4.177 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 14.582 0.235 4.627 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 14.712 1.735 4.757 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 6.305 20.594 -19.687 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 6.435 21.194 -20.427 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 6.965 19.924 -19.807 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -7.938 13.174 19.539 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -7.378 12.404 19.429 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -8.688 12.864 20.039 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 17.625 18.485 8.860 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 18.115 19.175 9.300 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 17.595 18.755 7.940 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 21.180 -4.374 -19.663 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 21.200 -3.424 -19.773 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 22.100 -4.624 -19.613 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 7.253 17.326 -25.143 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 7.493 16.396 -25.213 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 6.333 17.316 -24.903 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 -12.447 11.556 14.175 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 -12.837 12.396 13.935 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 -12.297 11.616 15.115 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.433 1.685 -9.483 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.303 1.415 -10.393 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.863 2.535 -9.543 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 17.853 6.537 15.299 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 18.503 5.837 15.379 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 17.063 6.097 14.989 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -21.105 -15.147 23.413 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -20.215 -14.817 23.573 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -20.975 -15.987 22.973 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -6.935 -14.684 2.531 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -7.815 -14.974 2.771 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -7.085 -13.904 1.991 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 -14.045 -11.036 -20.863 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 -14.245 -10.436 -20.143 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 -13.905 -11.876 -20.443 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 8.265 -18.127 9.317 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 9.015 -17.677 8.927 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 8.575 -19.017 9.487 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 -5.138 2.795 0.567 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 -4.338 3.305 0.737 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 -5.848 3.445 0.607 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 21.424 -7.035 24.223 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 20.704 -6.415 24.093 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 21.034 -7.895 24.043 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 1.434 16.757 -14.737 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 2.194 16.257 -14.457 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 1.754 17.307 -15.457 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -13.215 -15.448 -17.443 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -13.865 -15.408 -16.743 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -13.375 -14.658 -17.963 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 9.914 -13.257 -8.167 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 10.304 -13.697 -7.407 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 10.574 -12.597 -8.417 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 20.315 -15.406 22.365 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 20.725 -16.036 22.965 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 19.425 -15.736 22.235 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 -3.835 15.510 12.955 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 -3.245 16.230 13.195 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 -4.085 15.690 12.054 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 -24.767 12.297 4.373 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 -25.477 12.927 4.353 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 -24.677 12.057 5.293 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 8.333 19.494 13.571 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 8.313 19.534 14.531 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 9.093 20.024 13.321 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -5.589 18.784 -23.137 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -5.559 17.834 -23.237 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -6.509 19.014 -23.307 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 -13.538 -12.165 -0.023 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 -14.368 -12.375 0.417 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 -13.548 -11.215 -0.123 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 11.883 6.982 -17.089 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 12.513 7.472 -16.559 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 11.413 7.662 -17.579 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 6.624 -16.599 2.085 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 6.624 -16.929 2.985 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 6.724 -17.379 1.545 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 11.944 20.397 21.371 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 11.114 19.917 21.341 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 11.684 21.317 21.311 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -7.375 -21.680 -13.663 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -7.975 -22.240 -13.163 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -6.525 -21.790 -13.233 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 12.315 7.131 -6.055 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 13.075 6.601 -5.815 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 11.675 6.501 -6.385 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 6.826 1.916 -8.651 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 7.546 2.456 -8.991 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 6.596 1.346 -9.391 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -7.726 -13.461 7.469 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -6.876 -13.221 7.089 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -7.836 -12.871 8.209 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 16.793 17.625 -2.715 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 17.243 17.715 -3.545 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 17.043 18.405 -2.215 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -7.596 0.097 -12.647 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -8.246 0.177 -13.347 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -6.916 -0.453 -13.007 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -17.221 9.315 9.831 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -16.391 9.375 10.301 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -17.091 8.595 9.221 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 16.466 -6.689 16.411 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 15.516 -6.599 16.571 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 16.816 -5.829 16.631 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 6.150 20.027 3.803 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 6.210 20.557 4.603 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 5.940 19.147 4.113 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -24.799 -11.648 -14.712 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -24.529 -12.198 -15.452 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -24.049 -11.058 -14.562 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -11.961 -10.020 12.827 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -12.681 -10.090 13.457 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -11.551 -9.180 13.027 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 13.805 -23.828 2.027 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 13.525 -23.518 2.887 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 14.535 -23.258 1.797 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -15.367 1.885 -10.285 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -14.747 1.795 -11.015 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -15.537 2.825 -10.225 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.415 21.795 15.558 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.075 21.745 16.458 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 22.075 21.015 15.128 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 -11.728 -10.805 20.365 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 -12.368 -11.215 19.785 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 -11.238 -10.205 19.795 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 12.725 -19.581 -1.242 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 13.125 -18.781 -0.902 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 12.505 -20.091 -0.462 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.132 -1.817 -3.051 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.768 -1.607 -3.281 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.662 -1.247 -3.611 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 -7.056 23.397 9.423 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 -7.606 22.607 9.463 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 -6.196 23.067 9.173 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 -10.163 -3.439 -7.657 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 -9.663 -2.859 -7.077 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 -10.993 -2.969 -7.807 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -16.093 -0.847 -21.756 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -16.123 -1.147 -20.856 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -15.503 -0.097 -21.746 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -2.295 4.998 23.953 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -2.005 4.188 24.373 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -1.945 5.698 24.503 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 22.084 -20.926 12.742 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 21.774 -20.056 12.972 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 21.904 -21.456 13.532 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -5.154 -23.997 3.817 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -5.944 -24.217 3.327 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -5.344 -23.157 4.217 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 16.591 -22.555 2.539 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 17.451 -22.965 2.639 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 16.591 -22.205 1.649 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.321 -6.865 -15.982 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.331 -7.695 -16.452 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -21.711 -7.065 -15.132 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 -8.193 18.292 -23.906 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 -8.333 17.812 -24.716 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 -8.543 17.732 -23.226 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.244 -20.857 -19.707 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 16.954 -20.557 -20.567 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 17.494 -21.777 -19.837 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 7.646 11.573 9.077 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 7.736 11.393 10.007 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 6.696 11.623 8.937 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -5.686 -15.235 0.001 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -5.146 -14.665 0.551 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -6.586 -14.965 0.181 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -21.654 2.897 17.404 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -22.534 3.287 17.404 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.094 3.577 17.034 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 9.574 2.063 2.821 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 10.424 2.063 3.251 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 9.754 1.793 1.921 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 -20.894 -24.846 24.809 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 -21.484 -25.386 24.289 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 -21.464 -24.456 25.479 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -0.776 4.891 15.901 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -1.546 5.111 15.381 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -1.136 4.631 16.751 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 -10.625 -9.887 8.283 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 -11.045 -10.717 8.053 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 -11.355 -9.267 8.363 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 1.263 -12.365 -10.502 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 1.803 -12.255 -11.282 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 1.833 -12.805 -9.872 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 -21.045 -22.117 15.747 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 -20.255 -22.477 16.147 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 -21.675 -22.057 16.457 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -8.223 -6.341 -22.093 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -8.153 -7.291 -22.253 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -8.923 -6.051 -22.673 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 13.067 14.843 -4.599 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 12.817 15.503 -3.959 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 12.957 14.003 -4.139 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -20.477 -7.265 -6.103 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -20.017 -7.805 -6.743 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.657 -7.855 -5.373 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 -20.490 -16.668 -14.047 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 -19.790 -17.128 -13.587 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -21.240 -17.258 -14.007 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 -24.244 3.071 23.035 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 -24.134 3.161 22.095 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 -23.454 2.591 23.325 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 8.295 -1.458 9.473 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 8.545 -1.578 10.393 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 7.505 -0.928 9.503 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 1.141 -9.808 9.237 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 0.721 -9.868 10.097 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 0.821 -10.568 8.767 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 7.791 -18.779 0.727 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 8.481 -18.379 1.267 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 7.741 -18.219 -0.053 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 -8.758 -16.593 -12.962 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 -8.708 -17.543 -13.052 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 -9.678 -16.413 -12.762 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 12.804 -5.996 -16.145 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 12.364 -5.506 -16.835 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 13.704 -5.656 -16.145 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -23.147 -19.358 -20.303 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -22.617 -18.568 -20.363 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -23.677 -19.348 -21.103 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 16.097 -10.008 -15.089 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 16.677 -9.968 -15.849 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 15.337 -9.488 -15.339 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -5.998 -2.727 -21.339 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -5.858 -3.667 -21.229 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -6.948 -2.627 -21.319 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -23.427 15.144 -10.146 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -22.497 15.024 -9.946 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -23.487 15.024 -11.086 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 21.512 -15.497 -13.591 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 21.952 -14.837 -14.121 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 20.592 -15.237 -13.601 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 9.811 -9.476 12.768 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 9.861 -8.606 13.169 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 8.891 -9.596 12.568 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -21.714 7.873 -22.981 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -20.774 7.773 -22.841 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -21.814 7.993 -23.921 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 10.876 21.304 -12.243 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 11.186 20.694 -11.573 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 9.946 21.434 -12.043 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -23.426 -0.255 -18.267 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -22.866 -0.745 -18.867 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.236 -0.765 -18.217 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -12.649 17.894 10.651 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -13.449 17.464 10.341 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -12.929 18.404 11.411 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 11.085 -11.084 -9.613 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 10.315 -10.884 -10.143 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 11.045 -10.484 -8.873 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 7.789 -22.976 11.197 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 7.449 -23.376 10.397 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 8.619 -22.576 10.927 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 22.865 -12.509 -15.462 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 23.565 -11.879 -15.292 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 22.935 -12.689 -16.402 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.087 16.922 -17.306 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.857 17.212 -16.826 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 12.847 17.682 -17.846 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 18.585 9.436 -24.565 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 19.475 9.086 -24.525 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 18.515 9.986 -23.785 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 5.977 9.214 -12.167 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 6.577 9.954 -12.087 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 6.267 8.584 -11.507 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 9.772 1.775 7.074 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 9.762 2.585 6.565 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 9.672 1.075 6.425 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 4.424 -24.938 10.765 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 4.804 -25.808 10.925 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 4.784 -24.668 9.925 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 -7.895 3.791 -24.659 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 -8.685 4.031 -25.159 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 -8.225 3.571 -23.789 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 -22.355 5.234 -21.109 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 -21.685 5.914 -21.029 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 -22.655 5.294 -22.019 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -3.641 -23.426 -19.872 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -4.351 -24.016 -20.102 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -4.051 -22.716 -19.372 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 20.354 -0.316 11.988 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 20.714 -1.186 12.118 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 20.754 -0.006 11.168 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 11.026 -15.928 3.403 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 11.726 -15.448 3.843 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 11.406 -16.788 3.203 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -17.146 -7.921 15.319 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -17.936 -7.861 14.789 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -17.246 -7.271 15.999 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 21.272 -12.210 -0.085 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 21.672 -11.560 0.485 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 20.492 -11.790 -0.425 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -15.366 3.796 10.868 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -16.046 3.126 10.968 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -15.006 3.626 9.998 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 17.780 -0.278 -4.937 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 18.150 0.582 -4.757 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 17.110 -0.398 -4.257 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -25.403 -3.225 -12.695 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -24.723 -3.115 -12.025 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -25.103 -2.685 -13.425 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 24.025 23.673 -20.931 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 24.425 23.353 -20.121 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 24.735 24.123 -21.381 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -24.558 -22.707 6.473 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -24.688 -22.847 7.413 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -25.228 -23.247 6.053 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 -8.117 12.551 -20.969 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 -7.927 12.411 -20.039 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 -8.217 13.501 -21.049 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 -15.545 17.097 -4.286 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 -14.595 17.107 -4.156 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 -15.905 17.077 -3.396 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 -14.725 5.813 -5.299 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 -13.865 5.793 -4.859 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 -15.355 5.863 -4.579 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -10.065 -17.796 -23.647 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 -9.655 -18.636 -23.857 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -9.555 -17.446 -22.927 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 -5.407 -2.939 20.811 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 -4.567 -2.629 20.471 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 -5.177 -3.499 21.551 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 7.836 -10.455 -13.872 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 7.366 -11.275 -13.712 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 7.936 -10.405 -14.822 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 -13.854 11.053 -13.539 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 -13.044 11.513 -13.769 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 -14.354 11.693 -13.029 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 -4.136 -24.537 -10.846 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 -5.046 -24.267 -10.786 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 -3.636 -23.737 -10.666 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 -2.173 -13.338 6.043 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 -1.753 -14.078 6.463 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 -3.063 -13.638 5.863 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 15.486 15.582 -23.492 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -17.527 -13.684 -6.647 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 21.125 2.284 -14.589 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 -2.807 7.753 -4.811 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.603 -3.364 3.593 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 5.542 22.363 -23.841 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 8.315 -24.897 -21.613 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -15.746 18.125 8.049 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 -8.165 -21.136 18.299 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -19.893 5.453 13.171 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 21.145 6.834 22.083 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.085 18.755 24.699 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 8.144 -10.348 19.603 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 -6.457 -22.107 20.319 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -14.993 21.141 23.557 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 2.855 -1.355 1.377 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 3.077 22.274 -23.291 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/input/e2s2_e1s2p0f3/structure.psf b/adaptivemd/input/e2s2_e1s2p0f3/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/input/e2s2_e1s2p0f3/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 0 + 750 WT0 129 TIP3 H1 HT 0.417000 1.0080 0 + 751 WT0 129 TIP3 H2 HT 0.417000 1.0080 0 + 752 WT0 130 TIP3 OH2 OT -0.834000 15.9994 0 + 753 WT0 130 TIP3 H1 HT 0.417000 1.0080 0 + 754 WT0 130 TIP3 H2 HT 0.417000 1.0080 0 + 755 WT0 133 TIP3 OH2 OT -0.834000 15.9994 0 + 756 WT0 133 TIP3 H1 HT 0.417000 1.0080 0 + 757 WT0 133 TIP3 H2 HT 0.417000 1.0080 0 + 758 WT0 134 TIP3 OH2 OT -0.834000 15.9994 0 + 759 WT0 134 TIP3 H1 HT 0.417000 1.0080 0 + 760 WT0 134 TIP3 H2 HT 0.417000 1.0080 0 + 761 WT0 135 TIP3 OH2 OT -0.834000 15.9994 0 + 762 WT0 135 TIP3 H1 HT 0.417000 1.0080 0 + 763 WT0 135 TIP3 H2 HT 0.417000 1.0080 0 + 764 WT0 137 TIP3 OH2 OT -0.834000 15.9994 0 + 765 WT0 137 TIP3 H1 HT 0.417000 1.0080 0 + 766 WT0 137 TIP3 H2 HT 0.417000 1.0080 0 + 767 WT0 145 TIP3 OH2 OT -0.834000 15.9994 0 + 768 WT0 145 TIP3 H1 HT 0.417000 1.0080 0 + 769 WT0 145 TIP3 H2 HT 0.417000 1.0080 0 + 770 WT0 146 TIP3 OH2 OT -0.834000 15.9994 0 + 771 WT0 146 TIP3 H1 HT 0.417000 1.0080 0 + 772 WT0 146 TIP3 H2 HT 0.417000 1.0080 0 + 773 WT0 149 TIP3 OH2 OT -0.834000 15.9994 0 + 774 WT0 149 TIP3 H1 HT 0.417000 1.0080 0 + 775 WT0 149 TIP3 H2 HT 0.417000 1.0080 0 + 776 WT0 150 TIP3 OH2 OT -0.834000 15.9994 0 + 777 WT0 150 TIP3 H1 HT 0.417000 1.0080 0 + 778 WT0 150 TIP3 H2 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167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 + 818 WT0 190 TIP3 OH2 OT -0.834000 15.9994 0 + 819 WT0 190 TIP3 H1 HT 0.417000 1.0080 0 + 820 WT0 190 TIP3 H2 HT 0.417000 1.0080 0 + 821 WT0 191 TIP3 OH2 OT -0.834000 15.9994 0 + 822 WT0 191 TIP3 H1 HT 0.417000 1.0080 0 + 823 WT0 191 TIP3 H2 HT 0.417000 1.0080 0 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15.9994 0 + 915 WT0 306 TIP3 H1 HT 0.417000 1.0080 0 + 916 WT0 306 TIP3 H2 HT 0.417000 1.0080 0 + 917 WT0 316 TIP3 OH2 OT -0.834000 15.9994 0 + 918 WT0 316 TIP3 H1 HT 0.417000 1.0080 0 + 919 WT0 316 TIP3 H2 HT 0.417000 1.0080 0 + 920 WT0 322 TIP3 OH2 OT -0.834000 15.9994 0 + 921 WT0 322 TIP3 H1 HT 0.417000 1.0080 0 + 922 WT0 322 TIP3 H2 HT 0.417000 1.0080 0 + 923 WT0 325 TIP3 OH2 OT -0.834000 15.9994 0 + 924 WT0 325 TIP3 H1 HT 0.417000 1.0080 0 + 925 WT0 325 TIP3 H2 HT 0.417000 1.0080 0 + 926 WT0 327 TIP3 OH2 OT -0.834000 15.9994 0 + 927 WT0 327 TIP3 H1 HT 0.417000 1.0080 0 + 928 WT0 327 TIP3 H2 HT 0.417000 1.0080 0 + 929 WT0 328 TIP3 OH2 OT -0.834000 15.9994 0 + 930 WT0 328 TIP3 H1 HT 0.417000 1.0080 0 + 931 WT0 328 TIP3 H2 HT 0.417000 1.0080 0 + 932 WT0 332 TIP3 OH2 OT -0.834000 15.9994 0 + 933 WT0 332 TIP3 H1 HT 0.417000 1.0080 0 + 934 WT0 332 TIP3 H2 HT 0.417000 1.0080 0 + 935 WT0 338 TIP3 OH2 OT -0.834000 15.9994 0 + 936 WT0 338 TIP3 H1 HT 0.417000 1.0080 0 + 937 WT0 338 TIP3 H2 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0.417000 1.0080 0 + 1006 WT0 479 TIP3 H2 HT 0.417000 1.0080 0 + 1007 WT0 484 TIP3 OH2 OT -0.834000 15.9994 0 + 1008 WT0 484 TIP3 H1 HT 0.417000 1.0080 0 + 1009 WT0 484 TIP3 H2 HT 0.417000 1.0080 0 + 1010 WT0 485 TIP3 OH2 OT -0.834000 15.9994 0 + 1011 WT0 485 TIP3 H1 HT 0.417000 1.0080 0 + 1012 WT0 485 TIP3 H2 HT 0.417000 1.0080 0 + 1013 WT0 486 TIP3 OH2 OT -0.834000 15.9994 0 + 1014 WT0 486 TIP3 H1 HT 0.417000 1.0080 0 + 1015 WT0 486 TIP3 H2 HT 0.417000 1.0080 0 + 1016 WT0 489 TIP3 OH2 OT -0.834000 15.9994 0 + 1017 WT0 489 TIP3 H1 HT 0.417000 1.0080 0 + 1018 WT0 489 TIP3 H2 HT 0.417000 1.0080 0 + 1019 WT0 490 TIP3 OH2 OT -0.834000 15.9994 0 + 1020 WT0 490 TIP3 H1 HT 0.417000 1.0080 0 + 1021 WT0 490 TIP3 H2 HT 0.417000 1.0080 0 + 1022 WT0 491 TIP3 OH2 OT -0.834000 15.9994 0 + 1023 WT0 491 TIP3 H1 HT 0.417000 1.0080 0 + 1024 WT0 491 TIP3 H2 HT 0.417000 1.0080 0 + 1025 WT0 493 TIP3 OH2 OT -0.834000 15.9994 0 + 1026 WT0 493 TIP3 H1 HT 0.417000 1.0080 0 + 1027 WT0 493 TIP3 H2 HT 0.417000 1.0080 0 + 1028 WT0 494 TIP3 OH2 OT -0.834000 15.9994 0 + 1029 WT0 494 TIP3 H1 HT 0.417000 1.0080 0 + 1030 WT0 494 TIP3 H2 HT 0.417000 1.0080 0 + 1031 WT0 495 TIP3 OH2 OT -0.834000 15.9994 0 + 1032 WT0 495 TIP3 H1 HT 0.417000 1.0080 0 + 1033 WT0 495 TIP3 H2 HT 0.417000 1.0080 0 + 1034 WT0 498 TIP3 OH2 OT -0.834000 15.9994 0 + 1035 WT0 498 TIP3 H1 HT 0.417000 1.0080 0 + 1036 WT0 498 TIP3 H2 HT 0.417000 1.0080 0 + 1037 WT0 500 TIP3 OH2 OT -0.834000 15.9994 0 + 1038 WT0 500 TIP3 H1 HT 0.417000 1.0080 0 + 1039 WT0 500 TIP3 H2 HT 0.417000 1.0080 0 + 1040 WT0 503 TIP3 OH2 OT -0.834000 15.9994 0 + 1041 WT0 503 TIP3 H1 HT 0.417000 1.0080 0 + 1042 WT0 503 TIP3 H2 HT 0.417000 1.0080 0 + 1043 WT0 506 TIP3 OH2 OT -0.834000 15.9994 0 + 1044 WT0 506 TIP3 H1 HT 0.417000 1.0080 0 + 1045 WT0 506 TIP3 H2 HT 0.417000 1.0080 0 + 1046 WT0 507 TIP3 OH2 OT -0.834000 15.9994 0 + 1047 WT0 507 TIP3 H1 HT 0.417000 1.0080 0 + 1048 WT0 507 TIP3 H2 HT 0.417000 1.0080 0 + 1049 WT0 508 TIP3 OH2 OT -0.834000 15.9994 0 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517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 + 1155 WT0 587 TIP3 H1 HT 0.417000 1.0080 0 + 1156 WT0 587 TIP3 H2 HT 0.417000 1.0080 0 + 1157 WT0 588 TIP3 OH2 OT -0.834000 15.9994 0 + 1158 WT0 588 TIP3 H1 HT 0.417000 1.0080 0 + 1159 WT0 588 TIP3 H2 HT 0.417000 1.0080 0 + 1160 WT0 591 TIP3 OH2 OT -0.834000 15.9994 0 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601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 + 1266 WT0 676 TIP3 H1 HT 0.417000 1.0080 0 + 1267 WT0 676 TIP3 H2 HT 0.417000 1.0080 0 + 1268 WT0 677 TIP3 OH2 OT -0.834000 15.9994 0 + 1269 WT0 677 TIP3 H1 HT 0.417000 1.0080 0 + 1270 WT0 677 TIP3 H2 HT 0.417000 1.0080 0 + 1271 WT0 679 TIP3 OH2 OT -0.834000 15.9994 0 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700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 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813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT -0.834000 15.9994 0 + 1413 WT0 822 TIP3 H1 HT 0.417000 1.0080 0 + 1414 WT0 822 TIP3 H2 HT 0.417000 1.0080 0 + 1415 WT0 835 TIP3 OH2 OT -0.834000 15.9994 0 + 1416 WT0 835 TIP3 H1 HT 0.417000 1.0080 0 + 1417 WT0 835 TIP3 H2 HT 0.417000 1.0080 0 + 1418 WT0 849 TIP3 OH2 OT -0.834000 15.9994 0 + 1419 WT0 849 TIP3 H1 HT 0.417000 1.0080 0 + 1420 WT0 849 TIP3 H2 HT 0.417000 1.0080 0 + 1421 WT0 852 TIP3 OH2 OT -0.834000 15.9994 0 + 1422 WT0 852 TIP3 H1 HT 0.417000 1.0080 0 + 1423 WT0 852 TIP3 H2 HT 0.417000 1.0080 0 + 1424 WT0 854 TIP3 OH2 OT -0.834000 15.9994 0 + 1425 WT0 854 TIP3 H1 HT 0.417000 1.0080 0 + 1426 WT0 854 TIP3 H2 HT 0.417000 1.0080 0 + 1427 WT0 867 TIP3 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1040 TIP3 H2 HT 0.417000 1.0080 0 + 1649 WT0 1042 TIP3 OH2 OT -0.834000 15.9994 0 + 1650 WT0 1042 TIP3 H1 HT 0.417000 1.0080 0 + 1651 WT0 1042 TIP3 H2 HT 0.417000 1.0080 0 + 1652 WT0 1043 TIP3 OH2 OT -0.834000 15.9994 0 + 1653 WT0 1043 TIP3 H1 HT 0.417000 1.0080 0 + 1654 WT0 1043 TIP3 H2 HT 0.417000 1.0080 0 + 1655 WT0 1045 TIP3 OH2 OT -0.834000 15.9994 0 + 1656 WT0 1045 TIP3 H1 HT 0.417000 1.0080 0 + 1657 WT0 1045 TIP3 H2 HT 0.417000 1.0080 0 + 1658 WT0 1053 TIP3 OH2 OT -0.834000 15.9994 0 + 1659 WT0 1053 TIP3 H1 HT 0.417000 1.0080 0 + 1660 WT0 1053 TIP3 H2 HT 0.417000 1.0080 0 + 1661 WT0 1055 TIP3 OH2 OT -0.834000 15.9994 0 + 1662 WT0 1055 TIP3 H1 HT 0.417000 1.0080 0 + 1663 WT0 1055 TIP3 H2 HT 0.417000 1.0080 0 + 1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 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-0.834000 15.9994 0 + 1692 WT0 1065 TIP3 H1 HT 0.417000 1.0080 0 + 1693 WT0 1065 TIP3 H2 HT 0.417000 1.0080 0 + 1694 WT0 1066 TIP3 OH2 OT -0.834000 15.9994 0 + 1695 WT0 1066 TIP3 H1 HT 0.417000 1.0080 0 + 1696 WT0 1066 TIP3 H2 HT 0.417000 1.0080 0 + 1697 WT0 1069 TIP3 OH2 OT -0.834000 15.9994 0 + 1698 WT0 1069 TIP3 H1 HT 0.417000 1.0080 0 + 1699 WT0 1069 TIP3 H2 HT 0.417000 1.0080 0 + 1700 WT0 1076 TIP3 OH2 OT -0.834000 15.9994 0 + 1701 WT0 1076 TIP3 H1 HT 0.417000 1.0080 0 + 1702 WT0 1076 TIP3 H2 HT 0.417000 1.0080 0 + 1703 WT0 1077 TIP3 OH2 OT -0.834000 15.9994 0 + 1704 WT0 1077 TIP3 H1 HT 0.417000 1.0080 0 + 1705 WT0 1077 TIP3 H2 HT 0.417000 1.0080 0 + 1706 WT0 1078 TIP3 OH2 OT -0.834000 15.9994 0 + 1707 WT0 1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 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2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 0 + 3291 WT0 2151 TIP3 H1 HT 0.417000 1.0080 0 + 3292 WT0 2151 TIP3 H2 HT 0.417000 1.0080 0 + 3293 WT0 2155 TIP3 OH2 OT -0.834000 15.9994 0 + 3294 WT0 2155 TIP3 H1 HT 0.417000 1.0080 0 + 3295 WT0 2155 TIP3 H2 HT 0.417000 1.0080 0 + 3296 WT0 2159 TIP3 OH2 OT -0.834000 15.9994 0 + 3297 WT0 2159 TIP3 H1 HT 0.417000 1.0080 0 + 3298 WT0 2159 TIP3 H2 HT 0.417000 1.0080 0 + 3299 WT0 2163 TIP3 OH2 OT -0.834000 15.9994 0 + 3300 WT0 2163 TIP3 H1 HT 0.417000 1.0080 0 + 3301 WT0 2163 TIP3 H2 HT 0.417000 1.0080 0 + 3302 WT0 2165 TIP3 OH2 OT -0.834000 15.9994 0 + 3303 WT0 2165 TIP3 H1 HT 0.417000 1.0080 0 + 3304 WT0 2165 TIP3 H2 HT 0.417000 1.0080 0 + 3305 WT0 2167 TIP3 OH2 OT -0.834000 15.9994 0 + 3306 WT0 2167 TIP3 H1 HT 0.417000 1.0080 0 + 3307 WT0 2167 TIP3 H2 HT 0.417000 1.0080 0 + 3308 WT0 2168 TIP3 OH2 OT -0.834000 15.9994 0 + 3309 WT0 2168 TIP3 H1 HT 0.417000 1.0080 0 + 3310 WT0 2168 TIP3 H2 HT 0.417000 1.0080 0 + 3311 WT0 2172 TIP3 OH2 OT -0.834000 15.9994 0 + 3312 WT0 2172 TIP3 H1 HT 0.417000 1.0080 0 + 3313 WT0 2172 TIP3 H2 HT 0.417000 1.0080 0 + 3314 WT0 2180 TIP3 OH2 OT -0.834000 15.9994 0 + 3315 WT0 2180 TIP3 H1 HT 0.417000 1.0080 0 + 3316 WT0 2180 TIP3 H2 HT 0.417000 1.0080 0 + 3317 WT0 2185 TIP3 OH2 OT -0.834000 15.9994 0 + 3318 WT0 2185 TIP3 H1 HT 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TIP3 H2 HT 0.417000 1.0080 0 + 3623 WT0 2368 TIP3 OH2 OT -0.834000 15.9994 0 + 3624 WT0 2368 TIP3 H1 HT 0.417000 1.0080 0 + 3625 WT0 2368 TIP3 H2 HT 0.417000 1.0080 0 + 3626 WT0 2376 TIP3 OH2 OT -0.834000 15.9994 0 + 3627 WT0 2376 TIP3 H1 HT 0.417000 1.0080 0 + 3628 WT0 2376 TIP3 H2 HT 0.417000 1.0080 0 + 3629 WT0 2377 TIP3 OH2 OT -0.834000 15.9994 0 + 3630 WT0 2377 TIP3 H1 HT 0.417000 1.0080 0 + 3631 WT0 2377 TIP3 H2 HT 0.417000 1.0080 0 + 3632 WT0 2380 TIP3 OH2 OT -0.834000 15.9994 0 + 3633 WT0 2380 TIP3 H1 HT 0.417000 1.0080 0 + 3634 WT0 2380 TIP3 H2 HT 0.417000 1.0080 0 + 3635 WT0 2383 TIP3 OH2 OT -0.834000 15.9994 0 + 3636 WT0 2383 TIP3 H1 HT 0.417000 1.0080 0 + 3637 WT0 2383 TIP3 H2 HT 0.417000 1.0080 0 + 3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT 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2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 + 3703 WT0 2421 TIP3 H2 HT 0.417000 1.0080 0 + 3704 WT0 2422 TIP3 OH2 OT -0.834000 15.9994 0 + 3705 WT0 2422 TIP3 H1 HT 0.417000 1.0080 0 + 3706 WT0 2422 TIP3 H2 HT 0.417000 1.0080 0 + 3707 WT0 2423 TIP3 OH2 OT -0.834000 15.9994 0 + 3708 WT0 2423 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT 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2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 + 3985 WT0 2650 TIP3 H2 HT 0.417000 1.0080 0 + 3986 WT0 2654 TIP3 OH2 OT -0.834000 15.9994 0 + 3987 WT0 2654 TIP3 H1 HT 0.417000 1.0080 0 + 3988 WT0 2654 TIP3 H2 HT 0.417000 1.0080 0 + 3989 WT0 2656 TIP3 OH2 OT -0.834000 15.9994 0 + 3990 WT0 2656 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT -0.834000 15.9994 0 + 4224 WT0 2798 TIP3 H1 HT 0.417000 1.0080 0 + 4225 WT0 2798 TIP3 H2 HT 0.417000 1.0080 0 + 4226 WT0 2801 TIP3 OH2 OT -0.834000 15.9994 0 + 4227 WT0 2801 TIP3 H1 HT 0.417000 1.0080 0 + 4228 WT0 2801 TIP3 H2 HT 0.417000 1.0080 0 + 4229 WT0 2802 TIP3 OH2 OT 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2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 + 4267 WT0 2824 TIP3 H2 HT 0.417000 1.0080 0 + 4268 WT0 2826 TIP3 OH2 OT -0.834000 15.9994 0 + 4269 WT0 2826 TIP3 H1 HT 0.417000 1.0080 0 + 4270 WT0 2826 TIP3 H2 HT 0.417000 1.0080 0 + 4271 WT0 2829 TIP3 OH2 OT -0.834000 15.9994 0 + 4272 WT0 2829 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 TIP3 OH2 OT -0.834000 15.9994 0 + 4311 WT0 2850 TIP3 H1 HT 0.417000 1.0080 0 + 4312 WT0 2850 TIP3 H2 HT 0.417000 1.0080 0 + 4313 WT0 2852 TIP3 OH2 OT -0.834000 15.9994 0 + 4314 WT0 2852 TIP3 H1 HT 0.417000 1.0080 0 + 4315 WT0 2852 TIP3 H2 HT 0.417000 1.0080 0 + 4316 WT0 2857 TIP3 OH2 OT -0.834000 15.9994 0 + 4317 WT0 2857 TIP3 H1 HT 0.417000 1.0080 0 + 4318 WT0 2857 TIP3 H2 HT 0.417000 1.0080 0 + 4319 WT0 2858 TIP3 OH2 OT -0.834000 15.9994 0 + 4320 WT0 2858 TIP3 H1 HT 0.417000 1.0080 0 + 4321 WT0 2858 TIP3 H2 HT 0.417000 1.0080 0 + 4322 WT0 2859 TIP3 OH2 OT -0.834000 15.9994 0 + 4323 WT0 2859 TIP3 H1 HT 0.417000 1.0080 0 + 4324 WT0 2859 TIP3 H2 HT 0.417000 1.0080 0 + 4325 WT0 2860 TIP3 OH2 OT -0.834000 15.9994 0 + 4326 WT0 2860 TIP3 H1 HT 0.417000 1.0080 0 + 4327 WT0 2860 TIP3 H2 HT 0.417000 1.0080 0 + 4328 WT0 2861 TIP3 OH2 OT -0.834000 15.9994 0 + 4329 WT0 2861 TIP3 H1 HT 0.417000 1.0080 0 + 4330 WT0 2861 TIP3 H2 HT 0.417000 1.0080 0 + 4331 WT0 2863 TIP3 OH2 OT -0.834000 15.9994 0 + 4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 1.0080 0 + 4354 WT0 2878 TIP3 H2 HT 0.417000 1.0080 0 + 4355 WT0 2880 TIP3 OH2 OT -0.834000 15.9994 0 + 4356 WT0 2880 TIP3 H1 HT 0.417000 1.0080 0 + 4357 WT0 2880 TIP3 H2 HT 0.417000 1.0080 0 + 4358 WT0 2882 TIP3 OH2 OT -0.834000 15.9994 0 + 4359 WT0 2882 TIP3 H1 HT 0.417000 1.0080 0 + 4360 WT0 2882 TIP3 H2 HT 0.417000 1.0080 0 + 4361 WT0 2883 TIP3 OH2 OT -0.834000 15.9994 0 + 4362 WT0 2883 TIP3 H1 HT 0.417000 1.0080 0 + 4363 WT0 2883 TIP3 H2 HT 0.417000 1.0080 0 + 4364 WT0 2884 TIP3 OH2 OT -0.834000 15.9994 0 + 4365 WT0 2884 TIP3 H1 HT 0.417000 1.0080 0 + 4366 WT0 2884 TIP3 H2 HT 0.417000 1.0080 0 + 4367 WT0 2886 TIP3 OH2 OT -0.834000 15.9994 0 + 4368 WT0 2886 TIP3 H1 HT 0.417000 1.0080 0 + 4369 WT0 2886 TIP3 H2 HT 0.417000 1.0080 0 + 4370 WT0 2888 TIP3 OH2 OT -0.834000 15.9994 0 + 4371 WT0 2888 TIP3 H1 HT 0.417000 1.0080 0 + 4372 WT0 2888 TIP3 H2 HT 0.417000 1.0080 0 + 4373 WT0 2889 TIP3 OH2 OT -0.834000 15.9994 0 + 4374 WT0 2889 TIP3 H1 HT 0.417000 1.0080 0 + 4375 WT0 2889 TIP3 H2 HT 0.417000 1.0080 0 + 4376 WT0 2890 TIP3 OH2 OT -0.834000 15.9994 0 + 4377 WT0 2890 TIP3 H1 HT 0.417000 1.0080 0 + 4378 WT0 2890 TIP3 H2 HT 0.417000 1.0080 0 + 4379 WT0 2891 TIP3 OH2 OT -0.834000 15.9994 0 + 4380 WT0 2891 TIP3 H1 HT 0.417000 1.0080 0 + 4381 WT0 2891 TIP3 H2 HT 0.417000 1.0080 0 + 4382 WT0 2893 TIP3 OH2 OT -0.834000 15.9994 0 + 4383 WT0 2893 TIP3 H1 HT 0.417000 1.0080 0 + 4384 WT0 2893 TIP3 H2 HT 0.417000 1.0080 0 + 4385 WT0 2894 TIP3 OH2 OT -0.834000 15.9994 0 + 4386 WT0 2894 TIP3 H1 HT 0.417000 1.0080 0 + 4387 WT0 2894 TIP3 H2 HT 0.417000 1.0080 0 + 4388 WT0 2897 TIP3 OH2 OT -0.834000 15.9994 0 + 4389 WT0 2897 TIP3 H1 HT 0.417000 1.0080 0 + 4390 WT0 2897 TIP3 H2 HT 0.417000 1.0080 0 + 4391 WT0 2899 TIP3 OH2 OT -0.834000 15.9994 0 + 4392 WT0 2899 TIP3 H1 HT 0.417000 1.0080 0 + 4393 WT0 2899 TIP3 H2 HT 0.417000 1.0080 0 + 4394 WT0 2900 TIP3 OH2 OT -0.834000 15.9994 0 + 4395 WT0 2900 TIP3 H1 HT 0.417000 1.0080 0 + 4396 WT0 2900 TIP3 H2 HT 0.417000 1.0080 0 + 4397 WT0 2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 0 + 4419 WT0 2911 TIP3 H1 HT 0.417000 1.0080 0 + 4420 WT0 2911 TIP3 H2 HT 0.417000 1.0080 0 + 4421 WT0 2913 TIP3 OH2 OT -0.834000 15.9994 0 + 4422 WT0 2913 TIP3 H1 HT 0.417000 1.0080 0 + 4423 WT0 2913 TIP3 H2 HT 0.417000 1.0080 0 + 4424 WT0 2918 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 4447 WT0 2929 TIP3 H2 HT 0.417000 1.0080 0 + 4448 WT0 2930 TIP3 OH2 OT -0.834000 15.9994 0 + 4449 WT0 2930 TIP3 H1 HT 0.417000 1.0080 0 + 4450 WT0 2930 TIP3 H2 HT 0.417000 1.0080 0 + 4451 WT0 2932 TIP3 OH2 OT -0.834000 15.9994 0 + 4452 WT0 2932 TIP3 H1 HT 0.417000 1.0080 0 + 4453 WT0 2932 TIP3 H2 HT 0.417000 1.0080 0 + 4454 WT0 2933 TIP3 OH2 OT -0.834000 15.9994 0 + 4455 WT0 2933 TIP3 H1 HT 0.417000 1.0080 0 + 4456 WT0 2933 TIP3 H2 HT 0.417000 1.0080 0 + 4457 WT0 2934 TIP3 OH2 OT -0.834000 15.9994 0 + 4458 WT0 2934 TIP3 H1 HT 0.417000 1.0080 0 + 4459 WT0 2934 TIP3 H2 HT 0.417000 1.0080 0 + 4460 WT0 2936 TIP3 OH2 OT -0.834000 15.9994 0 + 4461 WT0 2936 TIP3 H1 HT 0.417000 1.0080 0 + 4462 WT0 2936 TIP3 H2 HT 0.417000 1.0080 0 + 4463 WT0 2941 TIP3 OH2 OT -0.834000 15.9994 0 + 4464 WT0 2941 TIP3 H1 HT 0.417000 1.0080 0 + 4465 WT0 2941 TIP3 H2 HT 0.417000 1.0080 0 + 4466 WT0 2943 TIP3 OH2 OT -0.834000 15.9994 0 + 4467 WT0 2943 TIP3 H1 HT 0.417000 1.0080 0 + 4468 WT0 2943 TIP3 H2 HT 0.417000 1.0080 0 + 4469 WT0 2944 TIP3 OH2 OT -0.834000 15.9994 0 + 4470 WT0 2944 TIP3 H1 HT 0.417000 1.0080 0 + 4471 WT0 2944 TIP3 H2 HT 0.417000 1.0080 0 + 4472 WT0 2946 TIP3 OH2 OT -0.834000 15.9994 0 + 4473 WT0 2946 TIP3 H1 HT 0.417000 1.0080 0 + 4474 WT0 2946 TIP3 H2 HT 0.417000 1.0080 0 + 4475 WT0 2951 TIP3 OH2 OT -0.834000 15.9994 0 + 4476 WT0 2951 TIP3 H1 HT 0.417000 1.0080 0 + 4477 WT0 2951 TIP3 H2 HT 0.417000 1.0080 0 + 4478 WT0 2952 TIP3 OH2 OT -0.834000 15.9994 0 + 4479 WT0 2952 TIP3 H1 HT 0.417000 1.0080 0 + 4480 WT0 2952 TIP3 H2 HT 0.417000 1.0080 0 + 4481 WT0 2953 TIP3 OH2 OT -0.834000 15.9994 0 + 4482 WT0 2953 TIP3 H1 HT 0.417000 1.0080 0 + 4483 WT0 2953 TIP3 H2 HT 0.417000 1.0080 0 + 4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT -0.834000 15.9994 0 + 4506 WT0 2967 TIP3 H1 HT 0.417000 1.0080 0 + 4507 WT0 2967 TIP3 H2 HT 0.417000 1.0080 0 + 4508 WT0 2969 TIP3 OH2 OT -0.834000 15.9994 0 + 4509 WT0 2969 TIP3 H1 HT 0.417000 1.0080 0 + 4510 WT0 2969 TIP3 H2 HT 0.417000 1.0080 0 + 4511 WT0 2972 TIP3 OH2 OT 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2991 TIP3 H1 HT 0.417000 1.0080 0 + 4534 WT0 2991 TIP3 H2 HT 0.417000 1.0080 0 + 4535 WT0 2992 TIP3 OH2 OT -0.834000 15.9994 0 + 4536 WT0 2992 TIP3 H1 HT 0.417000 1.0080 0 + 4537 WT0 2992 TIP3 H2 HT 0.417000 1.0080 0 + 4538 WT0 2993 TIP3 OH2 OT -0.834000 15.9994 0 + 4539 WT0 2993 TIP3 H1 HT 0.417000 1.0080 0 + 4540 WT0 2993 TIP3 H2 HT 0.417000 1.0080 0 + 4541 WT0 2994 TIP3 OH2 OT -0.834000 15.9994 0 + 4542 WT0 2994 TIP3 H1 HT 0.417000 1.0080 0 + 4543 WT0 2994 TIP3 H2 HT 0.417000 1.0080 0 + 4544 WT0 2996 TIP3 OH2 OT -0.834000 15.9994 0 + 4545 WT0 2996 TIP3 H1 HT 0.417000 1.0080 0 + 4546 WT0 2996 TIP3 H2 HT 0.417000 1.0080 0 + 4547 WT0 3006 TIP3 OH2 OT -0.834000 15.9994 0 + 4548 WT0 3006 TIP3 H1 HT 0.417000 1.0080 0 + 4549 WT0 3006 TIP3 H2 HT 0.417000 1.0080 0 + 4550 WT0 3010 TIP3 OH2 OT -0.834000 15.9994 0 + 4551 WT0 3010 TIP3 H1 HT 0.417000 1.0080 0 + 4552 WT0 3010 TIP3 H2 HT 0.417000 1.0080 0 + 4553 WT0 3011 TIP3 OH2 OT -0.834000 15.9994 0 + 4554 WT0 3011 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4577 WT0 3030 TIP3 OH2 OT -0.834000 15.9994 0 + 4578 WT0 3030 TIP3 H1 HT 0.417000 1.0080 0 + 4579 WT0 3030 TIP3 H2 HT 0.417000 1.0080 0 + 4580 WT0 3031 TIP3 OH2 OT -0.834000 15.9994 0 + 4581 WT0 3031 TIP3 H1 HT 0.417000 1.0080 0 + 4582 WT0 3031 TIP3 H2 HT 0.417000 1.0080 0 + 4583 WT0 3033 TIP3 OH2 OT -0.834000 15.9994 0 + 4584 WT0 3033 TIP3 H1 HT 0.417000 1.0080 0 + 4585 WT0 3033 TIP3 H2 HT 0.417000 1.0080 0 + 4586 WT0 3037 TIP3 OH2 OT -0.834000 15.9994 0 + 4587 WT0 3037 TIP3 H1 HT 0.417000 1.0080 0 + 4588 WT0 3037 TIP3 H2 HT 0.417000 1.0080 0 + 4589 WT0 3046 TIP3 OH2 OT -0.834000 15.9994 0 + 4590 WT0 3046 TIP3 H1 HT 0.417000 1.0080 0 + 4591 WT0 3046 TIP3 H2 HT 0.417000 1.0080 0 + 4592 WT0 3048 TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT 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3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 + 4831 WT0 3221 TIP3 H2 HT 0.417000 1.0080 0 + 4832 WT0 3223 TIP3 OH2 OT -0.834000 15.9994 0 + 4833 WT0 3223 TIP3 H1 HT 0.417000 1.0080 0 + 4834 WT0 3223 TIP3 H2 HT 0.417000 1.0080 0 + 4835 WT0 3224 TIP3 OH2 OT -0.834000 15.9994 0 + 4836 WT0 3224 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 + 5113 WT0 3390 TIP3 H2 HT 0.417000 1.0080 0 + 5114 WT0 3392 TIP3 OH2 OT -0.834000 15.9994 0 + 5115 WT0 3392 TIP3 H1 HT 0.417000 1.0080 0 + 5116 WT0 3392 TIP3 H2 HT 0.417000 1.0080 0 + 5117 WT0 3393 TIP3 OH2 OT -0.834000 15.9994 0 + 5118 WT0 3393 TIP3 H1 HT 0.417000 1.0080 0 + 5119 WT0 3393 TIP3 H2 HT 0.417000 1.0080 0 + 5120 WT0 3396 TIP3 OH2 OT -0.834000 15.9994 0 + 5121 WT0 3396 TIP3 H1 HT 0.417000 1.0080 0 + 5122 WT0 3396 TIP3 H2 HT 0.417000 1.0080 0 + 5123 WT0 3397 TIP3 OH2 OT -0.834000 15.9994 0 + 5124 WT0 3397 TIP3 H1 HT 0.417000 1.0080 0 + 5125 WT0 3397 TIP3 H2 HT 0.417000 1.0080 0 + 5126 WT0 3401 TIP3 OH2 OT -0.834000 15.9994 0 + 5127 WT0 3401 TIP3 H1 HT 0.417000 1.0080 0 + 5128 WT0 3401 TIP3 H2 HT 0.417000 1.0080 0 + 5129 WT0 3402 TIP3 OH2 OT -0.834000 15.9994 0 + 5130 WT0 3402 TIP3 H1 HT 0.417000 1.0080 0 + 5131 WT0 3402 TIP3 H2 HT 0.417000 1.0080 0 + 5132 WT0 3404 TIP3 OH2 OT -0.834000 15.9994 0 + 5133 WT0 3404 TIP3 H1 HT 0.417000 1.0080 0 + 5134 WT0 3404 TIP3 H2 HT 0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT 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4005 TIP3 H1 HT 0.417000 1.0080 0 + 5944 WT0 4005 TIP3 H2 HT 0.417000 1.0080 0 + 5945 WT0 4006 TIP3 OH2 OT -0.834000 15.9994 0 + 5946 WT0 4006 TIP3 H1 HT 0.417000 1.0080 0 + 5947 WT0 4006 TIP3 H2 HT 0.417000 1.0080 0 + 5948 WT0 4008 TIP3 OH2 OT -0.834000 15.9994 0 + 5949 WT0 4008 TIP3 H1 HT 0.417000 1.0080 0 + 5950 WT0 4008 TIP3 H2 HT 0.417000 1.0080 0 + 5951 WT0 4009 TIP3 OH2 OT -0.834000 15.9994 0 + 5952 WT0 4009 TIP3 H1 HT 0.417000 1.0080 0 + 5953 WT0 4009 TIP3 H2 HT 0.417000 1.0080 0 + 5954 WT0 4010 TIP3 OH2 OT -0.834000 15.9994 0 + 5955 WT0 4010 TIP3 H1 HT 0.417000 1.0080 0 + 5956 WT0 4010 TIP3 H2 HT 0.417000 1.0080 0 + 5957 WT0 4012 TIP3 OH2 OT -0.834000 15.9994 0 + 5958 WT0 4012 TIP3 H1 HT 0.417000 1.0080 0 + 5959 WT0 4012 TIP3 H2 HT 0.417000 1.0080 0 + 5960 WT0 4014 TIP3 OH2 OT -0.834000 15.9994 0 + 5961 WT0 4014 TIP3 H1 HT 0.417000 1.0080 0 + 5962 WT0 4014 TIP3 H2 HT 0.417000 1.0080 0 + 5963 WT0 4015 TIP3 OH2 OT -0.834000 15.9994 0 + 5964 WT0 4015 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 1.0080 0 + 5995 WT0 4035 TIP3 H2 HT 0.417000 1.0080 0 + 5996 WT0 4036 TIP3 OH2 OT -0.834000 15.9994 0 + 5997 WT0 4036 TIP3 H1 HT 0.417000 1.0080 0 + 5998 WT0 4036 TIP3 H2 HT 0.417000 1.0080 0 + 5999 WT0 4037 TIP3 OH2 OT -0.834000 15.9994 0 + 6000 WT0 4037 TIP3 H1 HT 0.417000 1.0080 0 + 6001 WT0 4037 TIP3 H2 HT 0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 1.0080 0 + 6046 WT0 4063 TIP3 H2 HT 0.417000 1.0080 0 + 6047 WT0 4064 TIP3 OH2 OT -0.834000 15.9994 0 + 6048 WT0 4064 TIP3 H1 HT 0.417000 1.0080 0 + 6049 WT0 4064 TIP3 H2 HT 0.417000 1.0080 0 + 6050 WT0 4065 TIP3 OH2 OT -0.834000 15.9994 0 + 6051 WT0 4065 TIP3 H1 HT 0.417000 1.0080 0 + 6052 WT0 4065 TIP3 H2 HT 0.417000 1.0080 0 + 6053 WT0 4067 TIP3 OH2 OT -0.834000 15.9994 0 + 6054 WT0 4067 TIP3 H1 HT 0.417000 1.0080 0 + 6055 WT0 4067 TIP3 H2 HT 0.417000 1.0080 0 + 6056 WT0 4068 TIP3 OH2 OT -0.834000 15.9994 0 + 6057 WT0 4068 TIP3 H1 HT 0.417000 1.0080 0 + 6058 WT0 4068 TIP3 H2 HT 0.417000 1.0080 0 + 6059 WT0 4072 TIP3 OH2 OT -0.834000 15.9994 0 + 6060 WT0 4072 TIP3 H1 HT 0.417000 1.0080 0 + 6061 WT0 4072 TIP3 H2 HT 0.417000 1.0080 0 + 6062 WT0 4074 TIP3 OH2 OT -0.834000 15.9994 0 + 6063 WT0 4074 TIP3 H1 HT 0.417000 1.0080 0 + 6064 WT0 4074 TIP3 H2 HT 0.417000 1.0080 0 + 6065 WT0 4076 TIP3 OH2 OT -0.834000 15.9994 0 + 6066 WT0 4076 TIP3 H1 HT 0.417000 1.0080 0 + 6067 WT0 4076 TIP3 H2 HT 0.417000 1.0080 0 + 6068 WT0 4077 TIP3 OH2 OT -0.834000 15.9994 0 + 6069 WT0 4077 TIP3 H1 HT 0.417000 1.0080 0 + 6070 WT0 4077 TIP3 H2 HT 0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 0 + 6111 WT0 4099 TIP3 H1 HT 0.417000 1.0080 0 + 6112 WT0 4099 TIP3 H2 HT 0.417000 1.0080 0 + 6113 WT0 4101 TIP3 OH2 OT -0.834000 15.9994 0 + 6114 WT0 4101 TIP3 H1 HT 0.417000 1.0080 0 + 6115 WT0 4101 TIP3 H2 HT 0.417000 1.0080 0 + 6116 WT0 4103 TIP3 OH2 OT -0.834000 15.9994 0 + 6117 WT0 4103 TIP3 H1 HT 0.417000 1.0080 0 + 6118 WT0 4103 TIP3 H2 HT 0.417000 1.0080 0 + 6119 WT0 4105 TIP3 OH2 OT -0.834000 15.9994 0 + 6120 WT0 4105 TIP3 H1 HT 0.417000 1.0080 0 + 6121 WT0 4105 TIP3 H2 HT 0.417000 1.0080 0 + 6122 WT0 4106 TIP3 OH2 OT -0.834000 15.9994 0 + 6123 WT0 4106 TIP3 H1 HT 0.417000 1.0080 0 + 6124 WT0 4106 TIP3 H2 HT 0.417000 1.0080 0 + 6125 WT0 4107 TIP3 OH2 OT -0.834000 15.9994 0 + 6126 WT0 4107 TIP3 H1 HT 0.417000 1.0080 0 + 6127 WT0 4107 TIP3 H2 HT 0.417000 1.0080 0 + 6128 WT0 4108 TIP3 OH2 OT -0.834000 15.9994 0 + 6129 WT0 4108 TIP3 H1 HT 0.417000 1.0080 0 + 6130 WT0 4108 TIP3 H2 HT 0.417000 1.0080 0 + 6131 WT0 4109 TIP3 OH2 OT -0.834000 15.9994 0 + 6132 WT0 4109 TIP3 H1 HT 0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 1.0080 0 + 6187 WT0 4147 TIP3 H2 HT 0.417000 1.0080 0 + 6188 WT0 4148 TIP3 OH2 OT -0.834000 15.9994 0 + 6189 WT0 4148 TIP3 H1 HT 0.417000 1.0080 0 + 6190 WT0 4148 TIP3 H2 HT 0.417000 1.0080 0 + 6191 WT0 4149 TIP3 OH2 OT -0.834000 15.9994 0 + 6192 WT0 4149 TIP3 H1 HT 0.417000 1.0080 0 + 6193 WT0 4149 TIP3 H2 HT 0.417000 1.0080 0 + 6194 WT0 4150 TIP3 OH2 OT -0.834000 15.9994 0 + 6195 WT0 4150 TIP3 H1 HT 0.417000 1.0080 0 + 6196 WT0 4150 TIP3 H2 HT 0.417000 1.0080 0 + 6197 WT0 4151 TIP3 OH2 OT -0.834000 15.9994 0 + 6198 WT0 4151 TIP3 H1 HT 0.417000 1.0080 0 + 6199 WT0 4151 TIP3 H2 HT 0.417000 1.0080 0 + 6200 WT0 4152 TIP3 OH2 OT -0.834000 15.9994 0 + 6201 WT0 4152 TIP3 H1 HT 0.417000 1.0080 0 + 6202 WT0 4152 TIP3 H2 HT 0.417000 1.0080 0 + 6203 WT0 4157 TIP3 OH2 OT 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6464 WT0 4311 TIP3 OH2 OT -0.834000 15.9994 0 + 6465 WT0 4311 TIP3 H1 HT 0.417000 1.0080 0 + 6466 WT0 4311 TIP3 H2 HT 0.417000 1.0080 0 + 6467 WT0 4313 TIP3 OH2 OT -0.834000 15.9994 0 + 6468 WT0 4313 TIP3 H1 HT 0.417000 1.0080 0 + 6469 WT0 4313 TIP3 H2 HT 0.417000 1.0080 0 + 6470 WT0 4319 TIP3 OH2 OT -0.834000 15.9994 0 + 6471 WT0 4319 TIP3 H1 HT 0.417000 1.0080 0 + 6472 WT0 4319 TIP3 H2 HT 0.417000 1.0080 0 + 6473 WT0 4321 TIP3 OH2 OT -0.834000 15.9994 0 + 6474 WT0 4321 TIP3 H1 HT 0.417000 1.0080 0 + 6475 WT0 4321 TIP3 H2 HT 0.417000 1.0080 0 + 6476 WT0 4328 TIP3 OH2 OT -0.834000 15.9994 0 + 6477 WT0 4328 TIP3 H1 HT 0.417000 1.0080 0 + 6478 WT0 4328 TIP3 H2 HT 0.417000 1.0080 0 + 6479 WT0 4336 TIP3 OH2 OT -0.834000 15.9994 0 + 6480 WT0 4336 TIP3 H1 HT 0.417000 1.0080 0 + 6481 WT0 4336 TIP3 H2 HT 0.417000 1.0080 0 + 6482 WT0 4337 TIP3 OH2 OT -0.834000 15.9994 0 + 6483 WT0 4337 TIP3 H1 HT 0.417000 1.0080 0 + 6484 WT0 4337 TIP3 H2 HT 0.417000 1.0080 0 + 6485 WT0 4339 TIP3 OH2 OT 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4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 + 6664 WT0 4508 TIP3 H2 HT 0.417000 1.0080 0 + 6665 WT0 4509 TIP3 OH2 OT -0.834000 15.9994 0 + 6666 WT0 4509 TIP3 H1 HT 0.417000 1.0080 0 + 6667 WT0 4509 TIP3 H2 HT 0.417000 1.0080 0 + 6668 WT0 4513 TIP3 OH2 OT -0.834000 15.9994 0 + 6669 WT0 4513 TIP3 H1 HT 0.417000 1.0080 0 + 6670 WT0 4513 TIP3 H2 HT 0.417000 1.0080 0 + 6671 WT0 4515 TIP3 OH2 OT -0.834000 15.9994 0 + 6672 WT0 4515 TIP3 H1 HT 0.417000 1.0080 0 + 6673 WT0 4515 TIP3 H2 HT 0.417000 1.0080 0 + 6674 WT0 4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 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6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 + 6754 WT0 4550 TIP3 H2 HT 0.417000 1.0080 0 + 6755 WT0 4551 TIP3 OH2 OT -0.834000 15.9994 0 + 6756 WT0 4551 TIP3 H1 HT 0.417000 1.0080 0 + 6757 WT0 4551 TIP3 H2 HT 0.417000 1.0080 0 + 6758 WT0 4553 TIP3 OH2 OT -0.834000 15.9994 0 + 6759 WT0 4553 TIP3 H1 HT 0.417000 1.0080 0 + 6760 WT0 4553 TIP3 H2 HT 0.417000 1.0080 0 + 6761 WT0 4558 TIP3 OH2 OT -0.834000 15.9994 0 + 6762 WT0 4558 TIP3 H1 HT 0.417000 1.0080 0 + 6763 WT0 4558 TIP3 H2 HT 0.417000 1.0080 0 + 6764 WT0 4559 TIP3 OH2 OT -0.834000 15.9994 0 + 6765 WT0 4559 TIP3 H1 HT 0.417000 1.0080 0 + 6766 WT0 4559 TIP3 H2 HT 0.417000 1.0080 0 + 6767 WT0 4560 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 6855 WT0 4611 TIP3 H1 HT 0.417000 1.0080 0 + 6856 WT0 4611 TIP3 H2 HT 0.417000 1.0080 0 + 6857 WT0 4612 TIP3 OH2 OT -0.834000 15.9994 0 + 6858 WT0 4612 TIP3 H1 HT 0.417000 1.0080 0 + 6859 WT0 4612 TIP3 H2 HT 0.417000 1.0080 0 + 6860 WT0 4613 TIP3 OH2 OT -0.834000 15.9994 0 + 6861 WT0 4613 TIP3 H1 HT 0.417000 1.0080 0 + 6862 WT0 4613 TIP3 H2 HT 0.417000 1.0080 0 + 6863 WT0 4614 TIP3 OH2 OT -0.834000 15.9994 0 + 6864 WT0 4614 TIP3 H1 HT 0.417000 1.0080 0 + 6865 WT0 4614 TIP3 H2 HT 0.417000 1.0080 0 + 6866 WT0 4615 TIP3 OH2 OT -0.834000 15.9994 0 + 6867 WT0 4615 TIP3 H1 HT 0.417000 1.0080 0 + 6868 WT0 4615 TIP3 H2 HT 0.417000 1.0080 0 + 6869 WT0 4617 TIP3 OH2 OT -0.834000 15.9994 0 + 6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT -0.834000 15.9994 0 + 7608 WT0 5137 TIP3 H1 HT 0.417000 1.0080 0 + 7609 WT0 5137 TIP3 H2 HT 0.417000 1.0080 0 + 7610 WT0 5138 TIP3 OH2 OT -0.834000 15.9994 0 + 7611 WT0 5138 TIP3 H1 HT 0.417000 1.0080 0 + 7612 WT0 5138 TIP3 H2 HT 0.417000 1.0080 0 + 7613 WT0 5140 TIP3 OH2 OT -0.834000 15.9994 0 + 7614 WT0 5140 TIP3 H1 HT 0.417000 1.0080 0 + 7615 WT0 5140 TIP3 H2 HT 0.417000 1.0080 0 + 7616 WT0 5146 TIP3 OH2 OT -0.834000 15.9994 0 + 7617 WT0 5146 TIP3 H1 HT 0.417000 1.0080 0 + 7618 WT0 5146 TIP3 H2 HT 0.417000 1.0080 0 + 7619 WT0 5149 TIP3 OH2 OT -0.834000 15.9994 0 + 7620 WT0 5149 TIP3 H1 HT 0.417000 1.0080 0 + 7621 WT0 5149 TIP3 H2 HT 0.417000 1.0080 0 + 7622 WT0 5151 TIP3 OH2 OT -0.834000 15.9994 0 + 7623 WT0 5151 TIP3 H1 HT 0.417000 1.0080 0 + 7624 WT0 5151 TIP3 H2 HT 0.417000 1.0080 0 + 7625 WT0 5152 TIP3 OH2 OT -0.834000 15.9994 0 + 7626 WT0 5152 TIP3 H1 HT 0.417000 1.0080 0 + 7627 WT0 5152 TIP3 H2 HT 0.417000 1.0080 0 + 7628 WT0 5153 TIP3 OH2 OT -0.834000 15.9994 0 + 7629 WT0 5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 + 7651 WT0 5164 TIP3 H2 HT 0.417000 1.0080 0 + 7652 WT0 5165 TIP3 OH2 OT -0.834000 15.9994 0 + 7653 WT0 5165 TIP3 H1 HT 0.417000 1.0080 0 + 7654 WT0 5165 TIP3 H2 HT 0.417000 1.0080 0 + 7655 WT0 5166 TIP3 OH2 OT -0.834000 15.9994 0 + 7656 WT0 5166 TIP3 H1 HT 0.417000 1.0080 0 + 7657 WT0 5166 TIP3 H2 HT 0.417000 1.0080 0 + 7658 WT0 5173 TIP3 OH2 OT -0.834000 15.9994 0 + 7659 WT0 5173 TIP3 H1 HT 0.417000 1.0080 0 + 7660 WT0 5173 TIP3 H2 HT 0.417000 1.0080 0 + 7661 WT0 5176 TIP3 OH2 OT -0.834000 15.9994 0 + 7662 WT0 5176 TIP3 H1 HT 0.417000 1.0080 0 + 7663 WT0 5176 TIP3 H2 HT 0.417000 1.0080 0 + 7664 WT0 5181 TIP3 OH2 OT -0.834000 15.9994 0 + 7665 WT0 5181 TIP3 H1 HT 0.417000 1.0080 0 + 7666 WT0 5181 TIP3 H2 HT 0.417000 1.0080 0 + 7667 WT0 5182 TIP3 OH2 OT -0.834000 15.9994 0 + 7668 WT0 5182 TIP3 H1 HT 0.417000 1.0080 0 + 7669 WT0 5182 TIP3 H2 HT 0.417000 1.0080 0 + 7670 WT0 5190 TIP3 OH2 OT -0.834000 15.9994 0 + 7671 WT0 5190 TIP3 H1 HT 0.417000 1.0080 0 + 7672 WT0 5190 TIP3 H2 HT 0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 + 8497 WT0 5891 TIP3 H2 HT 0.417000 1.0080 0 + 8498 WT0 5894 TIP3 OH2 OT -0.834000 15.9994 0 + 8499 WT0 5894 TIP3 H1 HT 0.417000 1.0080 0 + 8500 WT0 5894 TIP3 H2 HT 0.417000 1.0080 0 + 8501 WT0 5895 TIP3 OH2 OT -0.834000 15.9994 0 + 8502 WT0 5895 TIP3 H1 HT 0.417000 1.0080 0 + 8503 WT0 5895 TIP3 H2 HT 0.417000 1.0080 0 + 8504 WT0 5897 TIP3 OH2 OT -0.834000 15.9994 0 + 8505 WT0 5897 TIP3 H1 HT 0.417000 1.0080 0 + 8506 WT0 5897 TIP3 H2 HT 0.417000 1.0080 0 + 8507 WT0 5899 TIP3 OH2 OT -0.834000 15.9994 0 + 8508 WT0 5899 TIP3 H1 HT 0.417000 1.0080 0 + 8509 WT0 5899 TIP3 H2 HT 0.417000 1.0080 0 + 8510 WT0 5901 TIP3 OH2 OT -0.834000 15.9994 0 + 8511 WT0 5901 TIP3 H1 HT 0.417000 1.0080 0 + 8512 WT0 5901 TIP3 H2 HT 0.417000 1.0080 0 + 8513 WT0 5903 TIP3 OH2 OT -0.834000 15.9994 0 + 8514 WT0 5903 TIP3 H1 HT 0.417000 1.0080 0 + 8515 WT0 5903 TIP3 H2 HT 0.417000 1.0080 0 + 8516 WT0 5904 TIP3 OH2 OT -0.834000 15.9994 0 + 8517 WT0 5904 TIP3 H1 HT 0.417000 1.0080 0 + 8518 WT0 5904 TIP3 H2 HT 0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT -0.834000 15.9994 0 + 8736 WT0 6057 TIP3 H1 HT 0.417000 1.0080 0 + 8737 WT0 6057 TIP3 H2 HT 0.417000 1.0080 0 + 8738 WT0 6060 TIP3 OH2 OT -0.834000 15.9994 0 + 8739 WT0 6060 TIP3 H1 HT 0.417000 1.0080 0 + 8740 WT0 6060 TIP3 H2 HT 0.417000 1.0080 0 + 8741 WT0 6061 TIP3 OH2 OT -0.834000 15.9994 0 + 8742 WT0 6061 TIP3 H1 HT 0.417000 1.0080 0 + 8743 WT0 6061 TIP3 H2 HT 0.417000 1.0080 0 + 8744 WT0 6068 TIP3 OH2 OT -0.834000 15.9994 0 + 8745 WT0 6068 TIP3 H1 HT 0.417000 1.0080 0 + 8746 WT0 6068 TIP3 H2 HT 0.417000 1.0080 0 + 8747 WT0 6080 TIP3 OH2 OT -0.834000 15.9994 0 + 8748 WT0 6080 TIP3 H1 HT 0.417000 1.0080 0 + 8749 WT0 6080 TIP3 H2 HT 0.417000 1.0080 0 + 8750 WT0 6082 TIP3 OH2 OT -0.834000 15.9994 0 + 8751 WT0 6082 TIP3 H1 HT 0.417000 1.0080 0 + 8752 WT0 6082 TIP3 H2 HT 0.417000 1.0080 0 + 8753 WT0 6090 TIP3 OH2 OT -0.834000 15.9994 0 + 8754 WT0 6090 TIP3 H1 HT 0.417000 1.0080 0 + 8755 WT0 6090 TIP3 H2 HT 0.417000 1.0080 0 + 8756 WT0 6091 TIP3 OH2 OT -0.834000 15.9994 0 + 8757 WT0 6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 + 8779 WT0 6124 TIP3 H2 HT 0.417000 1.0080 0 + 8780 WT0 6129 TIP3 OH2 OT -0.834000 15.9994 0 + 8781 WT0 6129 TIP3 H1 HT 0.417000 1.0080 0 + 8782 WT0 6129 TIP3 H2 HT 0.417000 1.0080 0 + 8783 WT0 6136 TIP3 OH2 OT -0.834000 15.9994 0 + 8784 WT0 6136 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 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6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT -0.834000 15.9994 0 + 8988 WT0 6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT 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6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT -0.834000 15.9994 0 + 9159 WT0 6404 TIP3 H1 HT 0.417000 1.0080 0 + 9160 WT0 6404 TIP3 H2 HT 0.417000 1.0080 0 + 9161 WT0 6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT -0.834000 15.9994 0 + 9300 WT0 6545 TIP3 H1 HT 0.417000 1.0080 0 + 9301 WT0 6545 TIP3 H2 HT 0.417000 1.0080 0 + 9302 WT0 6547 TIP3 OH2 OT -0.834000 15.9994 0 + 9303 WT0 6547 TIP3 H1 HT 0.417000 1.0080 0 + 9304 WT0 6547 TIP3 H2 HT 0.417000 1.0080 0 + 9305 WT0 6551 TIP3 OH2 OT -0.834000 15.9994 0 + 9306 WT0 6551 TIP3 H1 HT 0.417000 1.0080 0 + 9307 WT0 6551 TIP3 H2 HT 0.417000 1.0080 0 + 9308 WT0 6554 TIP3 OH2 OT -0.834000 15.9994 0 + 9309 WT0 6554 TIP3 H1 HT 0.417000 1.0080 0 + 9310 WT0 6554 TIP3 H2 HT 0.417000 1.0080 0 + 9311 WT0 6555 TIP3 OH2 OT -0.834000 15.9994 0 + 9312 WT0 6555 TIP3 H1 HT 0.417000 1.0080 0 + 9313 WT0 6555 TIP3 H2 HT 0.417000 1.0080 0 + 9314 WT0 6560 TIP3 OH2 OT -0.834000 15.9994 0 + 9315 WT0 6560 TIP3 H1 HT 0.417000 1.0080 0 + 9316 WT0 6560 TIP3 H2 HT 0.417000 1.0080 0 + 9317 WT0 6561 TIP3 OH2 OT -0.834000 15.9994 0 + 9318 WT0 6561 TIP3 H1 HT 0.417000 1.0080 0 + 9319 WT0 6561 TIP3 H2 HT 0.417000 1.0080 0 + 9320 WT0 6564 TIP3 OH2 OT -0.834000 15.9994 0 + 9321 WT0 6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 + 9343 WT0 6602 TIP3 H2 HT 0.417000 1.0080 0 + 9344 WT0 6604 TIP3 OH2 OT -0.834000 15.9994 0 + 9345 WT0 6604 TIP3 H1 HT 0.417000 1.0080 0 + 9346 WT0 6604 TIP3 H2 HT 0.417000 1.0080 0 + 9347 WT0 6614 TIP3 OH2 OT -0.834000 15.9994 0 + 9348 WT0 6614 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 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0000000..2b082b3 --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/input.xsc @@ -0,0 +1,3 @@ +# NAMD extended system configuration restart file generated by MoleculeKit +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z +175000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 \ No newline at end of file diff --git a/adaptivemd/input/e3s1_e2s1p0f6/job.sh b/adaptivemd/input/e3s1_e2s1p0f6/job.sh new file mode 100755 index 0000000..e816c4f --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/job.sh @@ -0,0 +1,10 @@ +#!/bin/bash + + +trap "touch /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e3s1_e2s1p0f6/jobqueues.done" EXIT SIGTERM + +export CUDA_VISIBLE_DEVICES=0 + +cd /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e3s1_e2s1p0f6 +/home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e3s1_e2s1p0f6/run.sh +mv *.xtc /home/sdoerr/Work/htmd/tutorials/adaptivemd/data/e3s1_e2s1p0f6 \ No newline at end of file diff --git a/adaptivemd/input/e3s1_e2s1p0f6/jobqueues.done b/adaptivemd/input/e3s1_e2s1p0f6/jobqueues.done new file mode 100644 index 0000000..e69de29 diff --git a/adaptivemd/input/e3s1_e2s1p0f6/log.txt b/adaptivemd/input/e3s1_e2s1p0f6/log.txt new file mode 100644 index 0000000..44f91a0 --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/log.txt @@ -0,0 +1,230 @@ +WARNING: "acemd3" is depricated and will be removed in a future release! Use "acemd" instead +# +# ACEMD version 3.7.2 +# +# Copyright (C) 2017-2023 Acellera (www.acellera.com) +# +# By using ACEMD, you accept the terms and conditions of the ACEMD licence +# Check the licence by running "acemd --licence" +# More details: https://software.acellera.com/acemd/licence.html +# +# When publishing, please cite: +# ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale +# M. J. Harvey, G. Giupponi and G. De Fabritiis, +# J Chem. Theory. Comput. 2009 5(6), pp1632-1639 +# DOI: 10.1021/ct9000685 +# +# Arguments: +# input: input +# platform: +# device: +# ncpus: +# precision: mixed +# +# Licence: +# Product: ACEMD 3.0 +# Check floating licence: +# ACELLERA_LICENCE_SERVER -- not defined +# ACELLERA_LICENSE_SERVER -- not defined +# Check node-locked licence: +# ACELLERA_LICENCE_FILE -- not defined +# ACELLERA_LICENSE_FILE -- not defined +# /opt/acellera/licence.dat -- DENIED (Unable to locate target file) +# /opt/acellera/license.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/licence.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/license.dat -- DENIED (Unable to locate target file) +# +# WARNING: This ACEMD version expires in 27 days! +# +# Initialize Python +# Version: 3.10.13 +# Internal modules: /home/sdoerr/miniforge3/envs/htmd/lib/acemd/python +# +# Parse input +# File name: input +# Format: old +# WARNING: Deprecated keyword "thermostattemp" is replaced with "thermostattemperature" +# WARNING: Deprecated keyword "switchdist" is replaced with "switchdistance" +# +# Parse force field and topology files +# Force field: CHARMM +# PRM file: parameters +# PSF file: structure.psf +# WARNING: No NBFIX parameters exist for atom type ocl! +# WARNING: No NBFIX parameters exist for atom type obl! +# WARNING: No NBFIX parameters exist for atom type o2l! +# WARNING: No NBFIX parameters exist for atom type oc2d2! +# WARNING: No NBFIX parameters exist for atom type oc2dp! +# WARNING: No NBFIX parameters exist for atom type og2d2! +# WARNING: No NBFIX parameters exist for atom type og2p1! +# +# Force field parameters +# Number of atom parameters: 107 +# Number of bond parameters: 154 +# Number of angle parameters: 378 +# Number of dihedral parameters: 505 +# Number of improper parameters: 49 +# Number of CMAP parameters: 6 +# +# System topology +# Number of atoms: 11340 +# Number of bonds: 7762 +# Number of angles: 4719 +# Number of dihedrals: 1657 +# Number of impropers: 100 +# Number of CMAPs: 5 +# +# Initializing engine +# Version: 7.7 +# Plugin directory: /home/sdoerr/miniforge3/envs/htmd/lib/acemd +# Loaded plugins +# CPU +# PME +# CUDA +# CudaCompiler +# OpenCL +# PlumedCUDA +# PlumedOpenCL +# PlumedReference +# Available platforms +# CPU +# CUDA +# OpenCL +# +# Bonded interactions +# Harmonic bond interactions +# Number of terms: 7762 +# Harmonic angle interactions +# Number of terms: 4719 +# Urey-Bradley interactions +# Number of terms: 593 +# Number of skipped terms (zero force constant): 4126 +# Proper dihedral interations +# Number of terms: 1760 +# Number of skipped terms (zero force constants): 366 +# Improper dihedral interations +# Number of terms: 100 +# CMAP interactions +# Number of terms: 5 +# +# Non-bonded interactions +# Number of exclusions: 14126 +# Lennard-Jones terms +# Cutoff distance: 9.000 A +# Switching distance: 7.500 A +# Coulombic (PME) term +# Ewald tolerance: 0.000500 +# Using NBFIX +# No implicit solvent +# +# Constraining hydrogen (X-H) bonds +# Number of constrained bonds: 7454 +# Making water molecules rigid +# Number of water molecules: 3564 +# Number of constraints: 11018 +# +# Repartitioning hydrogen atom mass +# New hydrogen mass: 4.032 au +# Number of hydrogen atoms: 7454 +# +# Reading box sizes from input.xsc +# +# Creating simulation system +# Number of particles: 11340 +# Number of degrees of freedom 22999 +# Periodic box size: 50.489 50.491 50.416 A +# +# Integrator +# Type: velocity Verlet +# Step size: 4.00 fs +# Constraint tolerance: 1.0e-06 +# +# Thermostat +# Type: Langevin +# Target temperature: 350.00 K +# Friction coefficient: 0.10 ps^-1 +# +# Setting up platform: CUDA +# Interactions: 1 2 3 4 5 6 7 7 12 +# Platform properties: +# DeviceIndex: 0 +# DeviceName: NVIDIA GeForce RTX 4050 Laptop GPU +# UseBlockingSync: false +# Precision: mixed +# UseCpuPme: false +# CudaCompiler: /usr/local/cuda/bin/nvcc +# TempDirectory: /tmp +# CudaHostCompiler: +# DisablePmeStream: false +# DeterministicForces: false +# +# Set initial positions from an input file +# +# Simulation restart +# Restat file: restart.chk +# WARNING: the restart file does not exist! +# WARNING: Unable to restart! Continuing with the initial positions, velocities, simulation box size +# +# Initial velocities +# Distribution: Maxwell-Boltzmann +# Temperature: 350.00 K +# +# Optimize platform for MD +# Number of constraints: 11018 +# Harmonic bond interations +# Initial number of terms: 7762 +# Optimized number of terms: 308 +# Remaining interactions: 2 3 4 5 6 7 7 12 1 +# +# Running simulation +# Current step: 0 +# Number of steps: 250000 +# +# Trajectory output +# Positions: output.xtc +# Period: 25000 +# Wrapping: off +# +# Log, trajectory, and restart files are written every 100.000 ps (25000 steps) +# Step Time Bond Angle Urey-Bradley Dihedral Improper CMAP Non-bonded Implicit External Potential Kinetic Total Temperature Volume +# [ps] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [K] [A^3] + 25000 100.00 133.1424 336.3987 45.4078 54.8514 27.9802 -21.4984 -34307.9035 0.0000 0.0000 -33731.6214 7911.0962 -25820.5252 346.193 128522.41 +# Speed: average 635.03 ns/day, current 635.03 ns/day +# Progress: 10.0, remaining time: 0:02:02, ETA: Tue Jun 11 16:46:38 2024 + 50000 200.00 123.9632 364.4024 48.1277 65.2703 22.9731 -26.1036 -34244.7622 0.0000 0.0000 -33646.1291 8004.2828 -25641.8463 350.271 128522.41 +# Speed: average 634.83 ns/day, current 634.64 ns/day +# Progress: 20.0, remaining time: 0:01:48, ETA: Tue Jun 11 16:46:38 2024 + 75000 300.00 136.3186 342.9534 47.1989 72.8574 20.8674 -23.3522 -34237.0401 0.0000 0.0000 -33640.1965 8080.1821 -25560.0144 353.592 128522.41 +# Speed: average 634.33 ns/day, current 633.33 ns/day +# Progress: 30.0, remaining time: 0:01:35, ETA: Tue Jun 11 16:46:38 2024 + 100000 400.00 144.6000 390.8144 49.9913 80.6957 34.8848 -25.1226 -34226.9266 0.0000 0.0000 -33551.0630 7980.7915 -25570.2716 349.243 128522.41 +# Speed: average 633.93 ns/day, current 632.72 ns/day +# Progress: 40.0, remaining time: 0:01:21, ETA: Tue Jun 11 16:46:38 2024 + 125000 500.00 136.2151 335.5087 43.0075 69.9840 20.4552 -24.7475 -34304.4673 0.0000 0.0000 -33724.0442 8027.8347 -25696.2096 351.301 128522.41 +# Speed: average 633.63 ns/day, current 632.42 ns/day +# Progress: 50.0, remaining time: 0:01:08, ETA: Tue Jun 11 16:46:38 2024 + 150000 600.00 129.1787 344.2201 48.6347 81.5947 25.7060 -25.3213 -34320.0529 0.0000 0.0000 -33716.0400 7844.1329 -25871.9071 343.263 128522.41 +# Speed: average 633.48 ns/day, current 632.74 ns/day +# Progress: 60.0, remaining time: 0:00:54, ETA: Tue Jun 11 16:46:38 2024 + 175000 700.00 139.2179 343.5584 48.7438 68.7677 24.8377 -20.4303 -34296.1858 0.0000 0.0000 -33691.4907 7994.5445 -25696.9462 349.845 128522.41 +# Speed: average 633.42 ns/day, current 633.08 ns/day +# Progress: 70.0, remaining time: 0:00:40, ETA: Tue Jun 11 16:46:38 2024 + 200000 800.00 160.1935 360.8254 48.1069 76.1938 25.4000 -22.3828 -34263.8606 0.0000 0.0000 -33615.5238 8170.4197 -25445.1041 357.541 128522.41 +# Speed: average 633.42 ns/day, current 633.40 ns/day +# Progress: 80.0, remaining time: 0:00:27, ETA: Tue Jun 11 16:46:38 2024 + 225000 900.00 142.0221 366.0145 50.4694 70.3751 27.8822 -24.2382 -34468.8846 0.0000 0.0000 -33836.3597 8012.7290 -25823.6307 350.640 128522.41 +# Speed: average 633.49 ns/day, current 634.03 ns/day +# Progress: 90.0, remaining time: 0:00:13, ETA: Tue Jun 11 16:46:38 2024 + 250000 1000.00 144.2050 325.7191 45.9695 81.8474 36.2987 -25.4188 -34146.7604 0.0000 0.0000 -33538.1396 8025.9301 -25512.2095 351.218 128522.41 +# Speed: average 633.60 ns/day, current 634.60 ns/day +# Progress: 100.0, remaining time: 0:00:00, ETA: Tue Jun 11 16:46:38 2024 +# Writing final coordinates to "output.coor" +# Writing final velocities to "output.vel" +# Writing final simulation box to "output.xsc" +# +# Simulation completed! +# +# WARNING: ACEMD was simulating with a non-commercial licence! +# For commercial use, a commercial licence is required. +# More details: https://software.acellera.com/acemd +# diff --git a/adaptivemd/input/e3s1_e2s1p0f6/output.coor b/adaptivemd/input/e3s1_e2s1p0f6/output.coor new file mode 100644 index 0000000..6170cf6 Binary files /dev/null and b/adaptivemd/input/e3s1_e2s1p0f6/output.coor differ diff --git a/adaptivemd/input/e3s1_e2s1p0f6/output.vel b/adaptivemd/input/e3s1_e2s1p0f6/output.vel new file mode 100644 index 0000000..f46154d Binary files /dev/null and b/adaptivemd/input/e3s1_e2s1p0f6/output.vel differ diff --git a/adaptivemd/input/e3s1_e2s1p0f6/output.xsc b/adaptivemd/input/e3s1_e2s1p0f6/output.xsc new file mode 100644 index 0000000..aff6362 --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/output.xsc @@ -0,0 +1,2 @@ +# XSC File generated by ACEMD +250000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 diff --git a/adaptivemd/input/e3s1_e2s1p0f6/parameters b/adaptivemd/input/e3s1_e2s1p0f6/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/input/e3s1_e2s1p0f6/restart.chk b/adaptivemd/input/e3s1_e2s1p0f6/restart.chk new file mode 100644 index 0000000..861995b Binary files /dev/null and b/adaptivemd/input/e3s1_e2s1p0f6/restart.chk differ diff --git a/adaptivemd/input/e3s1_e2s1p0f6/restart.chk.bkp b/adaptivemd/input/e3s1_e2s1p0f6/restart.chk.bkp new file mode 100644 index 0000000..6d36ab5 Binary files /dev/null and b/adaptivemd/input/e3s1_e2s1p0f6/restart.chk.bkp differ diff --git a/adaptivemd/input/e3s1_e2s1p0f6/run.sh b/adaptivemd/input/e3s1_e2s1p0f6/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/input/e3s1_e2s1p0f6/structure.pdb b/adaptivemd/input/e3s1_e2s1p0f6/structure.pdb new file mode 100644 index 0000000..2b58bb1 --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 20.934 -3.579 -22.871 0.00 0.00 P C +ATOM 2 HY1 MET 1 21.144 -3.509 -23.961 0.00 0.00 P H +ATOM 3 HY2 MET 1 21.914 -3.329 -22.401 0.00 0.00 P H +ATOM 4 HY3 MET 1 20.444 -2.589 -22.751 0.00 0.00 P H +ATOM 5 CY MET 1 20.224 -4.549 -22.191 0.00 0.00 P C +ATOM 6 OY MET 1 20.514 -4.819 -21.051 0.00 0.00 P O +ATOM 7 N MET 1 19.144 -5.189 -22.741 0.00 0.00 P N +ATOM 8 HN MET 1 19.034 -5.109 -23.731 0.00 0.00 P H +ATOM 9 CA MET 1 18.264 -6.069 -22.101 0.00 0.00 P C +ATOM 10 HA MET 1 17.734 -5.469 -21.381 0.00 0.00 P H +ATOM 11 CB MET 1 17.044 -6.279 -23.061 0.00 0.00 P C +ATOM 12 HB1 MET 1 16.134 -6.399 -22.441 0.00 0.00 P H +ATOM 13 HB2 MET 1 16.934 -5.329 -23.631 0.00 0.00 P H +ATOM 14 CG MET 1 17.264 -7.469 -24.081 0.00 0.00 P C +ATOM 15 HG1 MET 1 18.144 -7.269 -24.721 0.00 0.00 P H +ATOM 16 HG2 MET 1 17.514 -8.429 -23.571 0.00 0.00 P H +ATOM 17 SD MET 1 15.784 -7.699 -25.041 0.00 0.00 P S +ATOM 18 CE MET 1 14.644 -8.859 -24.111 0.00 0.00 P C +ATOM 19 HE1 MET 1 14.444 -9.609 -24.911 0.00 0.00 P H +ATOM 20 HE2 MET 1 15.174 -9.459 -23.341 0.00 0.00 P H +ATOM 21 HE3 MET 1 13.714 -8.399 -23.701 0.00 0.00 P H +ATOM 22 C MET 1 18.874 -7.309 -21.501 0.00 0.00 P C +ATOM 23 O MET 1 18.494 -7.699 -20.441 0.00 0.00 P O +ATOM 24 N LYS 2 20.034 -7.889 -21.991 0.00 0.00 P N +ATOM 25 HN LYS 2 20.404 -7.509 -22.831 0.00 0.00 P H +ATOM 26 CA LYS 2 20.924 -8.789 -21.251 0.00 0.00 P C +ATOM 27 HA LYS 2 20.134 -9.499 -21.031 0.00 0.00 P H +ATOM 28 CB LYS 2 21.984 -9.429 -22.211 0.00 0.00 P C +ATOM 29 HB1 LYS 2 21.644 -9.469 -23.271 0.00 0.00 P H +ATOM 30 HB2 LYS 2 22.844 -8.729 -22.321 0.00 0.00 P H +ATOM 31 CG LYS 2 22.574 -10.719 -21.791 0.00 0.00 P C +ATOM 32 HG1 LYS 2 23.174 -11.079 -22.661 0.00 0.00 P H +ATOM 33 HG2 LYS 2 23.314 -10.499 -20.991 0.00 0.00 P H +ATOM 34 CD LYS 2 21.694 -11.839 -21.381 0.00 0.00 P C +ATOM 35 HD1 LYS 2 22.354 -12.449 -20.731 0.00 0.00 P H +ATOM 36 HD2 LYS 2 20.914 -11.519 -20.661 0.00 0.00 P H +ATOM 37 CE LYS 2 21.074 -12.509 -22.601 0.00 0.00 P C +ATOM 38 HE1 LYS 2 20.504 -11.679 -23.081 0.00 0.00 P H +ATOM 39 HE2 LYS 2 21.724 -12.879 -23.411 0.00 0.00 P H +ATOM 40 NZ LYS 2 20.284 -13.689 -22.301 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 20.844 -14.559 -22.171 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 19.604 -13.669 -21.521 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 19.804 -13.949 -23.191 0.00 0.00 P H +ATOM 44 C LYS 2 21.614 -8.249 -19.941 0.00 0.00 P C +ATOM 45 O LYS 2 22.034 -9.059 -19.171 0.00 0.00 P O +ATOM 46 N VAL 3 21.594 -6.939 -19.711 0.00 0.00 P N +ATOM 47 HN VAL 3 21.104 -6.299 -20.301 0.00 0.00 P H +ATOM 48 CA VAL 3 22.524 -6.319 -18.801 0.00 0.00 P C +ATOM 49 HA VAL 3 23.234 -6.999 -18.341 0.00 0.00 P H +ATOM 50 CB VAL 3 23.524 -5.379 -19.631 0.00 0.00 P C +ATOM 51 HB VAL 3 22.974 -4.439 -19.841 0.00 0.00 P H +ATOM 52 CG1 VAL 3 24.824 -4.979 -19.001 0.00 0.00 P C +ATOM 53 HG11 VAL 3 25.444 -5.899 -18.921 0.00 0.00 P H +ATOM 54 HG12 VAL 3 25.304 -4.269 -19.711 0.00 0.00 P H +ATOM 55 HG13 VAL 3 24.764 -4.529 -17.991 0.00 0.00 P H +ATOM 56 CG2 VAL 3 23.814 -5.999 -21.071 0.00 0.00 P C +ATOM 57 HG21 VAL 3 22.924 -5.949 -21.741 0.00 0.00 P H +ATOM 58 HG22 VAL 3 24.654 -5.429 -21.511 0.00 0.00 P H +ATOM 59 HG23 VAL 3 24.334 -6.989 -21.051 0.00 0.00 P H +ATOM 60 C VAL 3 21.694 -5.559 -17.761 0.00 0.00 P C +ATOM 61 O VAL 3 22.124 -4.539 -17.261 0.00 0.00 P O +ATOM 62 N ILE 4 20.494 -6.079 -17.341 0.00 0.00 P N +ATOM 63 HN ILE 4 20.064 -6.919 -17.651 0.00 0.00 P H +ATOM 64 CA ILE 4 19.584 -5.459 -16.371 0.00 0.00 P C +ATOM 65 HA ILE 4 19.114 -4.609 -16.831 0.00 0.00 P H +ATOM 66 CB ILE 4 18.384 -6.349 -15.991 0.00 0.00 P C +ATOM 67 HB ILE 4 18.414 -6.959 -15.061 0.00 0.00 P H +ATOM 68 CG2 ILE 4 17.224 -5.349 -15.661 0.00 0.00 P C +ATOM 69 HG21 ILE 4 17.584 -4.609 -14.901 0.00 0.00 P H +ATOM 70 HG22 ILE 4 17.024 -4.679 -16.521 0.00 0.00 P H +ATOM 71 HG23 ILE 4 16.204 -5.679 -15.351 0.00 0.00 P H +ATOM 72 CG1 ILE 4 17.974 -7.409 -17.111 0.00 0.00 P C +ATOM 73 HG11 ILE 4 17.844 -6.949 -18.121 0.00 0.00 P H +ATOM 74 HG12 ILE 4 18.814 -8.139 -17.131 0.00 0.00 P H +ATOM 75 CD ILE 4 16.574 -8.089 -17.001 0.00 0.00 P C +ATOM 76 HD1 ILE 4 16.414 -8.599 -16.031 0.00 0.00 P H +ATOM 77 HD2 ILE 4 15.804 -7.309 -17.211 0.00 0.00 P H +ATOM 78 HD3 ILE 4 16.504 -8.699 -17.931 0.00 0.00 P H +ATOM 79 C ILE 4 20.114 -5.049 -15.091 0.00 0.00 P C +ATOM 80 O ILE 4 20.784 -5.859 -14.531 0.00 0.00 P O +ATOM 81 N PHE 5 19.904 -3.819 -14.641 0.00 0.00 P N +ATOM 82 HN PHE 5 19.384 -3.069 -15.051 0.00 0.00 P H +ATOM 83 CA PHE 5 20.774 -3.379 -13.481 0.00 0.00 P C +ATOM 84 HA PHE 5 21.744 -3.839 -13.641 0.00 0.00 P H +ATOM 85 CB PHE 5 20.924 -1.779 -13.521 0.00 0.00 P C +ATOM 86 HB1 PHE 5 19.884 -1.409 -13.401 0.00 0.00 P H +ATOM 87 HB2 PHE 5 21.694 -1.519 -12.761 0.00 0.00 P H +ATOM 88 CG PHE 5 21.544 -1.199 -14.811 0.00 0.00 P C +ATOM 89 CD1 PHE 5 22.664 -1.869 -15.301 0.00 0.00 P C +ATOM 90 HD1 PHE 5 23.044 -2.709 -14.741 0.00 0.00 P H +ATOM 91 CE1 PHE 5 22.974 -1.759 -16.671 0.00 0.00 P C +ATOM 92 HE1 PHE 5 23.744 -2.419 -17.051 0.00 0.00 P H +ATOM 93 CZ PHE 5 22.244 -0.929 -17.531 0.00 0.00 P C +ATOM 94 HZ PHE 5 22.374 -0.729 -18.581 0.00 0.00 P H +ATOM 95 CD2 PHE 5 20.874 -0.339 -15.631 0.00 0.00 P C +ATOM 96 HD2 PHE 5 19.854 -0.019 -15.461 0.00 0.00 P H +ATOM 97 CE2 PHE 5 21.174 -0.239 -16.971 0.00 0.00 P C +ATOM 98 HE2 PHE 5 20.564 0.491 -17.491 0.00 0.00 P H +ATOM 99 C PHE 5 20.204 -3.859 -12.141 0.00 0.00 P C +ATOM 100 O PHE 5 20.884 -3.889 -11.141 0.00 0.00 P O +ATOM 101 N LEU 6 18.934 -4.359 -12.081 0.00 0.00 P N +ATOM 102 HN LEU 6 18.334 -4.459 -12.871 0.00 0.00 P H +ATOM 103 CA LEU 6 18.184 -4.959 -10.931 0.00 0.00 P C +ATOM 104 HA LEU 6 18.714 -4.809 -10.001 0.00 0.00 P H +ATOM 105 CB LEU 6 16.784 -4.319 -10.721 0.00 0.00 P C +ATOM 106 HB1 LEU 6 16.074 -4.489 -11.561 0.00 0.00 P H +ATOM 107 HB2 LEU 6 16.354 -4.769 -9.801 0.00 0.00 P H +ATOM 108 CG LEU 6 16.724 -2.749 -10.541 0.00 0.00 P C +ATOM 109 HG LEU 6 17.164 -2.219 -11.411 0.00 0.00 P H +ATOM 110 CD1 LEU 6 15.264 -2.259 -10.461 0.00 0.00 P C +ATOM 111 HD11 LEU 6 14.654 -2.779 -9.691 0.00 0.00 P H +ATOM 112 HD12 LEU 6 14.934 -1.209 -10.451 0.00 0.00 P H +ATOM 113 HD13 LEU 6 14.784 -2.519 -11.421 0.00 0.00 P H +ATOM 114 CD2 LEU 6 17.694 -2.319 -9.291 0.00 0.00 P C +ATOM 115 HD21 LEU 6 18.744 -2.599 -9.491 0.00 0.00 P H +ATOM 116 HD22 LEU 6 17.534 -1.229 -9.181 0.00 0.00 P H +ATOM 117 HD23 LEU 6 17.414 -2.919 -8.391 0.00 0.00 P H +ATOM 118 C LEU 6 18.114 -6.409 -11.051 0.00 0.00 P C +ATOM 119 O LEU 6 17.914 -6.759 -12.201 0.00 0.00 P O +ATOM 120 N LYS 7 18.344 -7.339 -10.081 0.00 0.00 P N +ATOM 121 HN LYS 7 18.514 -7.149 -9.121 0.00 0.00 P H +ATOM 122 CA LYS 7 18.264 -8.759 -10.431 0.00 0.00 P C +ATOM 123 HA LYS 7 17.384 -8.819 -11.061 0.00 0.00 P H +ATOM 124 CB LYS 7 19.264 -9.289 -11.471 0.00 0.00 P C +ATOM 125 HB1 LYS 7 18.974 -10.349 -11.611 0.00 0.00 P H +ATOM 126 HB2 LYS 7 19.074 -8.799 -12.461 0.00 0.00 P H +ATOM 127 CG LYS 7 20.774 -9.079 -10.961 0.00 0.00 P C +ATOM 128 HG1 LYS 7 20.684 -8.159 -10.351 0.00 0.00 P H +ATOM 129 HG2 LYS 7 21.154 -9.789 -10.191 0.00 0.00 P H +ATOM 130 CD LYS 7 21.764 -8.709 -12.011 0.00 0.00 P C +ATOM 131 HD1 LYS 7 21.344 -8.259 -12.931 0.00 0.00 P H +ATOM 132 HD2 LYS 7 22.564 -8.019 -11.681 0.00 0.00 P H +ATOM 133 CE LYS 7 22.524 -9.929 -12.411 0.00 0.00 P C +ATOM 134 HE1 LYS 7 23.384 -9.749 -13.101 0.00 0.00 P H +ATOM 135 HE2 LYS 7 22.974 -10.419 -11.521 0.00 0.00 P H +ATOM 136 NZ LYS 7 21.674 -10.869 -13.131 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 20.974 -10.559 -13.841 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 22.204 -11.679 -13.531 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 21.174 -11.229 -12.291 0.00 0.00 P H +ATOM 140 C LYS 7 18.144 -9.679 -9.211 0.00 0.00 P C +ATOM 141 O LYS 7 19.084 -9.929 -8.431 0.00 0.00 P O +ATOM 142 N ASP 8 16.914 -10.259 -9.041 0.00 0.00 P N +ATOM 143 HN ASP 8 16.204 -10.099 -9.721 0.00 0.00 P H +ATOM 144 CA ASP 8 16.294 -11.289 -8.111 0.00 0.00 P C +ATOM 145 HA ASP 8 15.384 -11.479 -8.641 0.00 0.00 P H +ATOM 146 CB ASP 8 17.124 -12.519 -7.901 0.00 0.00 P C +ATOM 147 HB1 ASP 8 18.104 -12.189 -7.501 0.00 0.00 P H +ATOM 148 HB2 ASP 8 16.724 -13.189 -7.121 0.00 0.00 P H +ATOM 149 CG ASP 8 17.204 -13.289 -9.201 0.00 0.00 P C +ATOM 150 OD1 ASP 8 16.144 -13.719 -9.721 0.00 0.00 P O +ATOM 151 OD2 ASP 8 18.304 -13.469 -9.721 0.00 0.00 P O +ATOM 152 C ASP 8 15.994 -10.579 -6.801 0.00 0.00 P C +ATOM 153 O ASP 8 16.884 -9.939 -6.101 0.00 0.00 P O +ATOM 154 N VAL 9 14.734 -10.669 -6.351 0.00 0.00 P N +ATOM 155 HN VAL 9 14.104 -10.979 -7.051 0.00 0.00 P H +ATOM 156 CA VAL 9 14.084 -10.129 -5.321 0.00 0.00 P C +ATOM 157 HA VAL 9 14.604 -9.259 -4.931 0.00 0.00 P H +ATOM 158 CB VAL 9 12.604 -9.859 -5.671 0.00 0.00 P C +ATOM 159 HB VAL 9 12.104 -10.629 -6.291 0.00 0.00 P H +ATOM 160 CG1 VAL 9 11.704 -9.629 -4.491 0.00 0.00 P C +ATOM 161 HG11 VAL 9 12.054 -8.819 -3.811 0.00 0.00 P H +ATOM 162 HG12 VAL 9 10.664 -9.399 -4.801 0.00 0.00 P H +ATOM 163 HG13 VAL 9 11.514 -10.519 -3.851 0.00 0.00 P H +ATOM 164 CG2 VAL 9 12.324 -8.569 -6.581 0.00 0.00 P C +ATOM 165 HG21 VAL 9 12.754 -7.579 -6.321 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.744 -8.909 -7.551 0.00 0.00 P H +ATOM 167 HG23 VAL 9 11.244 -8.339 -6.711 0.00 0.00 P H +ATOM 168 C VAL 9 14.074 -11.059 -4.211 0.00 0.00 P C +ATOM 169 O VAL 9 13.434 -12.139 -4.281 0.00 0.00 P O +ATOM 170 N LYS 10 14.734 -10.649 -3.121 0.00 0.00 P N +ATOM 171 HN LYS 10 15.274 -9.819 -3.111 0.00 0.00 P H +ATOM 172 CA LYS 10 14.894 -11.499 -1.981 0.00 0.00 P C +ATOM 173 HA LYS 10 14.054 -12.169 -1.811 0.00 0.00 P H +ATOM 174 CB LYS 10 16.134 -12.379 -2.201 0.00 0.00 P C +ATOM 175 HB1 LYS 10 16.114 -13.409 -1.791 0.00 0.00 P H +ATOM 176 HB2 LYS 10 16.114 -12.619 -3.291 0.00 0.00 P H +ATOM 177 CG LYS 10 17.604 -11.799 -1.901 0.00 0.00 P C +ATOM 178 HG1 LYS 10 17.674 -10.859 -2.491 0.00 0.00 P H +ATOM 179 HG2 LYS 10 17.414 -11.599 -0.831 0.00 0.00 P H +ATOM 180 CD LYS 10 18.714 -12.809 -2.331 0.00 0.00 P C +ATOM 181 HD1 LYS 10 18.454 -13.689 -1.701 0.00 0.00 P H +ATOM 182 HD2 LYS 10 18.574 -13.059 -3.401 0.00 0.00 P H +ATOM 183 CE LYS 10 20.064 -12.299 -1.961 0.00 0.00 P C +ATOM 184 HE1 LYS 10 20.244 -11.269 -2.351 0.00 0.00 P H +ATOM 185 HE2 LYS 10 20.434 -12.249 -0.921 0.00 0.00 P H +ATOM 186 NZ LYS 10 21.054 -13.269 -2.551 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 21.884 -12.719 -2.861 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 21.304 -13.989 -1.851 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 20.734 -13.809 -3.381 0.00 0.00 P H +ATOM 190 C LYS 10 15.034 -10.789 -0.671 0.00 0.00 P C +ATOM 191 O LYS 10 15.454 -9.599 -0.601 0.00 0.00 P O +ATOM 192 N GLY 11 14.694 -11.429 0.369 0.00 0.00 P N +ATOM 193 HN GLY 11 14.524 -12.349 0.029 0.00 0.00 P H +ATOM 194 CA GLY 11 14.524 -11.039 1.729 0.00 0.00 P C +ATOM 195 HA1 GLY 11 14.774 -11.939 2.269 0.00 0.00 P H +ATOM 196 HA2 GLY 11 15.284 -10.289 1.909 0.00 0.00 P H +ATOM 197 C GLY 11 13.194 -10.549 2.129 0.00 0.00 P C +ATOM 198 O GLY 11 12.604 -9.539 1.559 0.00 0.00 P O +ATOM 199 N MET 12 12.694 -10.939 3.269 0.00 0.00 P N +ATOM 200 HN MET 12 13.104 -11.829 3.459 0.00 0.00 P H +ATOM 201 CA MET 12 11.384 -10.619 3.699 0.00 0.00 P C +ATOM 202 HA MET 12 10.714 -10.399 2.879 0.00 0.00 P H +ATOM 203 CB MET 12 10.614 -11.679 4.489 0.00 0.00 P C +ATOM 204 HB1 MET 12 10.514 -12.569 3.829 0.00 0.00 P H +ATOM 205 HB2 MET 12 11.144 -12.079 5.379 0.00 0.00 P H +ATOM 206 CG MET 12 9.104 -11.469 4.939 0.00 0.00 P C +ATOM 207 HG1 MET 12 8.934 -12.429 5.459 0.00 0.00 P H +ATOM 208 HG2 MET 12 9.064 -10.709 5.749 0.00 0.00 P H +ATOM 209 SD MET 12 7.874 -11.019 3.679 0.00 0.00 P S +ATOM 210 CE MET 12 6.514 -10.339 4.719 0.00 0.00 P C +ATOM 211 HE1 MET 12 5.564 -10.259 4.159 0.00 0.00 P H +ATOM 212 HE2 MET 12 6.574 -11.039 5.579 0.00 0.00 P H +ATOM 213 HE3 MET 12 6.694 -9.279 4.979 0.00 0.00 P H +ATOM 214 C MET 12 11.384 -9.259 4.449 0.00 0.00 P C +ATOM 215 O MET 12 12.024 -9.199 5.489 0.00 0.00 P O +ATOM 216 N GLY 13 10.764 -8.289 3.949 0.00 0.00 P N +ATOM 217 HN GLY 13 10.444 -8.149 3.019 0.00 0.00 P H +ATOM 218 CA GLY 13 10.404 -7.049 4.819 0.00 0.00 P C +ATOM 219 HA1 GLY 13 11.274 -7.019 5.459 0.00 0.00 P H +ATOM 220 HA2 GLY 13 10.524 -6.219 4.139 0.00 0.00 P H +ATOM 221 C GLY 13 9.264 -6.909 5.559 0.00 0.00 P C +ATOM 222 O GLY 13 8.614 -7.839 6.109 0.00 0.00 P O +ATOM 223 N LYS 14 8.844 -5.609 5.749 0.00 0.00 P N +ATOM 224 HN LYS 14 9.474 -4.899 5.439 0.00 0.00 P H +ATOM 225 CA LYS 14 7.574 -5.409 6.409 0.00 0.00 P C +ATOM 226 HA LYS 14 6.984 -6.309 6.469 0.00 0.00 P H +ATOM 227 CB LYS 14 7.394 -4.589 7.759 0.00 0.00 P C +ATOM 228 HB1 LYS 14 7.874 -3.629 7.489 0.00 0.00 P H +ATOM 229 HB2 LYS 14 6.394 -4.469 8.239 0.00 0.00 P H +ATOM 230 CG LYS 14 8.194 -5.019 9.049 0.00 0.00 P C +ATOM 231 HG1 LYS 14 7.964 -6.099 9.209 0.00 0.00 P H +ATOM 232 HG2 LYS 14 9.304 -4.969 9.009 0.00 0.00 P H +ATOM 233 CD LYS 14 7.694 -4.379 10.309 0.00 0.00 P C +ATOM 234 HD1 LYS 14 8.474 -4.249 11.089 0.00 0.00 P H +ATOM 235 HD2 LYS 14 7.514 -3.299 10.139 0.00 0.00 P H +ATOM 236 CE LYS 14 6.344 -5.059 10.739 0.00 0.00 P C +ATOM 237 HE1 LYS 14 5.474 -4.859 10.079 0.00 0.00 P H +ATOM 238 HE2 LYS 14 6.624 -6.129 10.799 0.00 0.00 P H +ATOM 239 NZ LYS 14 5.924 -4.849 12.189 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 6.034 -3.859 12.509 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 4.924 -5.149 12.229 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 6.664 -5.349 12.719 0.00 0.00 P H +ATOM 243 C LYS 14 6.624 -4.739 5.369 0.00 0.00 P C +ATOM 244 O LYS 14 5.734 -3.909 5.799 0.00 0.00 P O +ATOM 245 N LYS 15 6.794 -4.969 4.079 0.00 0.00 P N +ATOM 246 HN LYS 15 7.384 -5.719 3.799 0.00 0.00 P H +ATOM 247 CA LYS 15 6.034 -4.309 2.989 0.00 0.00 P C +ATOM 248 HA LYS 15 5.544 -3.409 3.349 0.00 0.00 P H +ATOM 249 CB LYS 15 7.054 -3.949 1.889 0.00 0.00 P C +ATOM 250 HB1 LYS 15 7.774 -4.739 1.569 0.00 0.00 P H +ATOM 251 HB2 LYS 15 6.454 -3.419 1.119 0.00 0.00 P H +ATOM 252 CG LYS 15 8.114 -2.809 2.419 0.00 0.00 P C +ATOM 253 HG1 LYS 15 8.804 -3.359 3.099 0.00 0.00 P H +ATOM 254 HG2 LYS 15 8.634 -2.659 1.459 0.00 0.00 P H +ATOM 255 CD LYS 15 7.584 -1.599 3.189 0.00 0.00 P C +ATOM 256 HD1 LYS 15 7.164 -1.889 4.169 0.00 0.00 P H +ATOM 257 HD2 LYS 15 8.484 -1.019 3.479 0.00 0.00 P H +ATOM 258 CE LYS 15 6.734 -0.729 2.239 0.00 0.00 P C +ATOM 259 HE1 LYS 15 7.314 -0.529 1.309 0.00 0.00 P H +ATOM 260 HE2 LYS 15 5.724 -1.179 2.219 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.404 0.521 2.779 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 5.824 0.521 3.649 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.244 1.071 3.019 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.914 1.041 2.029 0.00 0.00 P H +ATOM 265 C LYS 15 4.884 -5.249 2.419 0.00 0.00 P C +ATOM 266 O LYS 15 4.984 -6.459 2.369 0.00 0.00 P O +ATOM 267 N GLY 16 3.844 -4.529 1.959 0.00 0.00 P N +ATOM 268 HN GLY 16 3.674 -3.579 2.179 0.00 0.00 P H +ATOM 269 CA GLY 16 2.574 -5.129 1.489 0.00 0.00 P C +ATOM 270 HA1 GLY 16 1.964 -4.409 0.969 0.00 0.00 P H +ATOM 271 HA2 GLY 16 2.844 -6.039 0.959 0.00 0.00 P H +ATOM 272 C GLY 16 1.844 -5.679 2.579 0.00 0.00 P C +ATOM 273 O GLY 16 1.424 -4.779 3.369 0.00 0.00 P O +ATOM 274 N GLU 17 1.664 -7.039 2.679 0.00 0.00 P N +ATOM 275 HN GLU 17 1.964 -7.619 1.929 0.00 0.00 P H +ATOM 276 CA GLU 17 0.664 -7.589 3.619 0.00 0.00 P C +ATOM 277 HA GLU 17 -0.226 -7.009 3.479 0.00 0.00 P H +ATOM 278 CB GLU 17 0.364 -9.129 3.379 0.00 0.00 P C +ATOM 279 HB1 GLU 17 1.394 -9.519 3.499 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.296 -9.599 4.139 0.00 0.00 P H +ATOM 281 CG GLU 17 -0.236 -9.489 1.899 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -0.626 -8.629 1.329 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.584 -9.859 1.239 0.00 0.00 P H +ATOM 284 CD GLU 17 -1.416 -10.529 1.859 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -2.466 -10.119 2.399 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.326 -11.669 1.279 0.00 0.00 P O +ATOM 287 C GLU 17 1.064 -7.529 5.169 0.00 0.00 P C +ATOM 288 O GLU 17 1.194 -8.509 5.839 0.00 0.00 P O +ATOM 289 N ILE 18 1.174 -6.269 5.769 0.00 0.00 P N +ATOM 290 HN ILE 18 1.034 -5.459 5.209 0.00 0.00 P H +ATOM 291 CA ILE 18 1.414 -6.079 7.169 0.00 0.00 P C +ATOM 292 HA ILE 18 2.424 -6.459 7.279 0.00 0.00 P H +ATOM 293 CB ILE 18 1.404 -4.559 7.579 0.00 0.00 P C +ATOM 294 HB ILE 18 0.384 -4.099 7.569 0.00 0.00 P H +ATOM 295 CG2 ILE 18 1.844 -4.279 9.059 0.00 0.00 P C +ATOM 296 HG21 ILE 18 2.884 -4.619 9.209 0.00 0.00 P H +ATOM 297 HG22 ILE 18 1.774 -3.179 9.249 0.00 0.00 P H +ATOM 298 HG23 ILE 18 1.234 -4.779 9.839 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.454 -3.759 6.729 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.474 -4.169 6.539 0.00 0.00 P H +ATOM 301 HG12 ILE 18 1.834 -3.739 5.809 0.00 0.00 P H +ATOM 302 CD ILE 18 2.604 -2.289 6.999 0.00 0.00 P C +ATOM 303 HD1 ILE 18 3.224 -2.029 7.879 0.00 0.00 P H +ATOM 304 HD2 ILE 18 2.954 -1.759 6.099 0.00 0.00 P H +ATOM 305 HD3 ILE 18 1.624 -1.799 7.219 0.00 0.00 P H +ATOM 306 C ILE 18 0.384 -6.779 8.089 0.00 0.00 P C +ATOM 307 O ILE 18 0.804 -7.489 8.999 0.00 0.00 P O +ATOM 308 N LYS 19 -0.896 -6.509 7.839 0.00 0.00 P N +ATOM 309 HN LYS 19 -1.206 -5.939 7.079 0.00 0.00 P H +ATOM 310 CA LYS 19 -2.026 -7.199 8.629 0.00 0.00 P C +ATOM 311 HA LYS 19 -1.946 -8.249 8.859 0.00 0.00 P H +ATOM 312 CB LYS 19 -2.126 -6.449 9.949 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.896 -6.939 10.579 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -1.166 -6.659 10.469 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.426 -4.999 9.719 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.716 -4.279 10.179 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -2.676 -4.699 8.679 0.00 0.00 P H +ATOM 318 CD LYS 19 -3.766 -4.559 10.449 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -4.516 -5.319 10.129 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -3.556 -4.599 11.539 0.00 0.00 P H +ATOM 321 CE LYS 19 -4.386 -3.099 10.169 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -3.576 -2.469 10.579 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -4.446 -2.929 9.079 0.00 0.00 P H +ATOM 324 NZ LYS 19 -5.486 -2.719 11.019 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -5.416 -3.339 11.849 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -5.666 -1.749 11.339 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -6.386 -2.999 10.579 0.00 0.00 P H +ATOM 328 C LYS 19 -3.326 -7.059 7.789 0.00 0.00 P C +ATOM 329 O LYS 19 -3.476 -6.189 6.849 0.00 0.00 P O +ATOM 330 N ASN 20 -4.316 -7.999 8.059 0.00 0.00 P N +ATOM 331 HN ASN 20 -4.036 -8.769 8.619 0.00 0.00 P H +ATOM 332 CA ASN 20 -5.646 -7.839 7.509 0.00 0.00 P C +ATOM 333 HA ASN 20 -5.786 -7.159 6.679 0.00 0.00 P H +ATOM 334 CB ASN 20 -6.096 -9.209 7.029 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -5.906 -10.049 7.729 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -7.146 -9.119 6.689 0.00 0.00 P H +ATOM 337 CG ASN 20 -5.316 -9.629 5.759 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -4.826 -10.729 5.719 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -5.286 -8.769 4.659 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -5.146 -9.219 3.779 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -5.736 -7.879 4.619 0.00 0.00 P H +ATOM 342 C ASN 20 -6.676 -7.409 8.479 0.00 0.00 P C +ATOM 343 O ASN 20 -7.776 -7.089 8.059 0.00 0.00 P O +ATOM 344 N VAL 21 -6.396 -7.519 9.819 0.00 0.00 P N +ATOM 345 HN VAL 21 -5.456 -7.749 10.079 0.00 0.00 P H +ATOM 346 CA VAL 21 -7.396 -7.179 10.879 0.00 0.00 P C +ATOM 347 HA VAL 21 -8.236 -7.709 10.449 0.00 0.00 P H +ATOM 348 CB VAL 21 -6.826 -7.749 12.239 0.00 0.00 P C +ATOM 349 HB VAL 21 -7.286 -7.259 13.129 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -7.046 -9.329 12.169 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -6.856 -9.759 13.169 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -8.106 -9.449 11.849 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.266 -9.659 11.459 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.396 -7.379 12.359 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -4.756 -8.079 11.779 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -5.166 -6.319 12.149 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.016 -7.439 13.399 0.00 0.00 P H +ATOM 358 C VAL 21 -7.846 -5.759 10.999 0.00 0.00 P C +ATOM 359 O VAL 21 -7.276 -4.869 10.339 0.00 0.00 P O +ATOM 360 N ALA 22 -8.906 -5.519 11.769 0.00 0.00 P N +ATOM 361 HN ALA 22 -9.416 -6.289 12.149 0.00 0.00 P H +ATOM 362 CA ALA 22 -9.436 -4.259 12.089 0.00 0.00 P C +ATOM 363 HA ALA 22 -9.466 -3.719 11.149 0.00 0.00 P H +ATOM 364 CB ALA 22 -10.846 -4.299 12.609 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -11.416 -5.199 12.319 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -10.926 -4.419 13.709 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -11.456 -3.459 12.209 0.00 0.00 P H +ATOM 368 C ALA 22 -8.466 -3.409 12.959 0.00 0.00 P C +ATOM 369 O ALA 22 -7.546 -3.889 13.539 0.00 0.00 P O +ATOM 370 N ASP 23 -8.686 -2.039 13.069 0.00 0.00 P N +ATOM 371 HN ASP 23 -9.316 -1.559 12.459 0.00 0.00 P H +ATOM 372 CA ASP 23 -7.826 -1.369 14.089 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.826 -1.749 14.249 0.00 0.00 P H +ATOM 374 CB ASP 23 -7.666 0.171 13.739 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -8.616 0.651 13.409 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.266 0.821 14.549 0.00 0.00 P H +ATOM 377 CG ASP 23 -6.646 0.421 12.579 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -5.826 -0.519 12.269 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -6.666 1.551 12.069 0.00 0.00 P O +ATOM 380 C ASP 23 -8.396 -1.479 15.489 0.00 0.00 P C +ATOM 381 O ASP 23 -7.666 -1.829 16.409 0.00 0.00 P O +ATOM 382 N GLY 24 -9.696 -1.199 15.609 0.00 0.00 P N +ATOM 383 HN GLY 24 -10.176 -0.789 14.839 0.00 0.00 P H +ATOM 384 CA GLY 24 -10.556 -1.289 16.809 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -10.096 -1.689 17.699 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -10.936 -0.309 17.049 0.00 0.00 P H +ATOM 387 C GLY 24 -11.786 -2.189 16.479 0.00 0.00 P C +ATOM 388 O GLY 24 -11.706 -3.229 15.859 0.00 0.00 P O +ATOM 389 N TYR 25 -12.876 -1.749 16.969 0.00 0.00 P N +ATOM 390 HN TYR 25 -12.906 -0.929 17.539 0.00 0.00 P H +ATOM 391 CA TYR 25 -14.016 -2.539 16.979 0.00 0.00 P C +ATOM 392 HA TYR 25 -13.776 -3.589 16.909 0.00 0.00 P H +ATOM 393 CB TYR 25 -14.736 -2.439 18.329 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -15.006 -1.359 18.359 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -15.656 -3.049 18.499 0.00 0.00 P H +ATOM 396 CG TYR 25 -13.796 -2.569 19.509 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -13.666 -3.879 20.169 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -13.996 -4.849 19.809 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -13.176 -4.079 21.419 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -13.346 -5.029 21.899 0.00 0.00 P H +ATOM 401 CZ TYR 25 -12.656 -2.939 22.049 0.00 0.00 P C +ATOM 402 OH TYR 25 -12.066 -3.249 23.349 0.00 0.00 P O +ATOM 403 HH TYR 25 -11.546 -2.489 23.609 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -13.306 -1.489 20.289 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -13.306 -0.499 19.869 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -12.496 -1.689 21.469 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -12.136 -0.859 22.069 0.00 0.00 P H +ATOM 408 C TYR 25 -14.956 -2.079 15.809 0.00 0.00 P C +ATOM 409 O TYR 25 -16.146 -1.959 15.629 0.00 0.00 P O +ATOM 410 N ALA 26 -14.206 -1.549 14.799 0.00 0.00 P N +ATOM 411 HN ALA 26 -13.216 -1.599 14.759 0.00 0.00 P H +ATOM 412 CA ALA 26 -14.716 -1.239 13.519 0.00 0.00 P C +ATOM 413 HA ALA 26 -15.076 -2.149 13.069 0.00 0.00 P H +ATOM 414 CB ALA 26 -15.756 -0.009 13.379 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -16.656 -0.369 12.839 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -16.016 0.321 14.409 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -15.226 0.871 12.949 0.00 0.00 P H +ATOM 418 C ALA 26 -13.396 -1.109 12.689 0.00 0.00 P C +ATOM 419 O ALA 26 -12.286 -1.219 13.149 0.00 0.00 P O +ATOM 420 N ASN 27 -13.406 -0.999 11.349 0.00 0.00 P N +ATOM 421 HN ASN 27 -14.246 -0.659 10.939 0.00 0.00 P H +ATOM 422 CA ASN 27 -12.176 -1.139 10.519 0.00 0.00 P C +ATOM 423 HA ASN 27 -11.566 -1.899 10.989 0.00 0.00 P H +ATOM 424 CB ASN 27 -12.576 -1.539 9.129 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -11.576 -1.749 8.679 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -13.156 -2.489 9.159 0.00 0.00 P H +ATOM 427 CG ASN 27 -13.416 -0.419 8.339 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -13.626 0.661 8.739 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -13.876 -0.759 7.099 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -13.366 -1.459 6.599 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -14.556 -0.219 6.609 0.00 0.00 P H +ATOM 432 C ASN 27 -11.306 0.251 10.539 0.00 0.00 P C +ATOM 433 O ASN 27 -10.166 0.161 10.149 0.00 0.00 P O +ATOM 434 N ASN 28 -11.866 1.501 10.979 0.00 0.00 P N +ATOM 435 HN ASN 28 -12.736 1.341 11.429 0.00 0.00 P H +ATOM 436 CA ASN 28 -11.186 2.731 11.309 0.00 0.00 P C +ATOM 437 HA ASN 28 -11.926 3.431 11.659 0.00 0.00 P H +ATOM 438 CB ASN 28 -10.136 2.471 12.349 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -10.686 1.871 13.109 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -9.406 1.891 11.739 0.00 0.00 P H +ATOM 441 CG ASN 28 -9.596 3.711 12.909 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -10.136 4.821 12.859 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -8.316 3.651 13.309 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -7.986 4.261 14.029 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -7.686 2.981 12.919 0.00 0.00 P H +ATOM 446 C ASN 28 -10.656 3.481 9.999 0.00 0.00 P C +ATOM 447 O ASN 28 -9.746 4.251 9.969 0.00 0.00 P O +ATOM 448 N PHE 29 -11.386 3.201 8.929 0.00 0.00 P N +ATOM 449 HN PHE 29 -12.256 2.721 9.029 0.00 0.00 P H +ATOM 450 CA PHE 29 -10.966 3.561 7.579 0.00 0.00 P C +ATOM 451 HA PHE 29 -10.036 4.111 7.589 0.00 0.00 P H +ATOM 452 CB PHE 29 -10.966 2.261 6.639 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -10.246 1.591 7.169 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -11.956 1.781 6.479 0.00 0.00 P H +ATOM 455 CG PHE 29 -10.366 2.291 5.289 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -9.376 3.331 5.169 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -9.076 4.091 5.869 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -8.696 3.241 3.929 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -7.826 3.851 3.759 0.00 0.00 P H +ATOM 460 CZ PHE 29 -8.936 2.421 2.859 0.00 0.00 P C +ATOM 461 HZ PHE 29 -8.396 2.751 1.989 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -10.676 1.451 4.249 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -11.366 0.661 4.499 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.026 1.531 2.999 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.176 0.831 2.189 0.00 0.00 P H +ATOM 466 C PHE 29 -12.046 4.521 7.089 0.00 0.00 P C +ATOM 467 O PHE 29 -13.036 4.171 6.419 0.00 0.00 P O +ATOM 468 N LEU 30 -11.886 5.791 7.509 0.00 0.00 P N +ATOM 469 HN LEU 30 -11.196 6.121 8.149 0.00 0.00 P H +ATOM 470 CA LEU 30 -12.656 6.861 6.909 0.00 0.00 P C +ATOM 471 HA LEU 30 -13.186 6.521 6.039 0.00 0.00 P H +ATOM 472 CB LEU 30 -13.686 7.371 7.959 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -13.546 6.791 8.899 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -13.536 8.451 8.189 0.00 0.00 P H +ATOM 475 CG LEU 30 -15.056 7.181 7.549 0.00 0.00 P C +ATOM 476 HG LEU 30 -15.086 6.071 7.499 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -16.056 7.641 8.619 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -15.906 8.741 8.589 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -17.066 7.271 8.339 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -15.766 7.221 9.599 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -15.486 7.771 6.209 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -16.346 7.171 5.859 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -15.816 8.821 6.389 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -14.626 7.671 5.509 0.00 0.00 P H +ATOM 485 C LEU 30 -11.566 7.981 6.469 0.00 0.00 P C +ATOM 486 O LEU 30 -10.416 8.071 6.949 0.00 0.00 P O +ATOM 487 N PHE 31 -12.086 8.881 5.519 0.00 0.00 P N +ATOM 488 HN PHE 31 -13.036 8.841 5.199 0.00 0.00 P H +ATOM 489 CA PHE 31 -11.436 10.081 4.949 0.00 0.00 P C +ATOM 490 HA PHE 31 -10.406 9.821 5.129 0.00 0.00 P H +ATOM 491 CB PHE 31 -11.746 10.201 3.389 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -11.316 11.101 2.889 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -11.436 9.201 3.009 0.00 0.00 P H +ATOM 494 CG PHE 31 -13.216 10.301 3.099 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -13.846 11.531 3.129 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -13.216 12.401 3.049 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -15.126 11.711 2.769 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -15.566 12.691 2.849 0.00 0.00 P H +ATOM 499 CZ PHE 31 -15.906 10.631 2.689 0.00 0.00 P C +ATOM 500 HZ PHE 31 -16.976 10.731 2.689 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -14.116 9.211 2.919 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -13.856 8.171 2.979 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -15.466 9.421 2.939 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -16.116 8.571 2.869 0.00 0.00 P H +ATOM 505 C PHE 31 -11.806 11.391 5.759 0.00 0.00 P C +ATOM 506 O PHE 31 -12.706 11.521 6.499 0.00 0.00 P O +ATOM 507 N LYS 32 -11.076 12.511 5.629 0.00 0.00 P N +ATOM 508 HN LYS 32 -10.316 12.601 4.989 0.00 0.00 P H +ATOM 509 CA LYS 32 -11.416 13.731 6.309 0.00 0.00 P C +ATOM 510 HA LYS 32 -11.946 13.581 7.239 0.00 0.00 P H +ATOM 511 CB LYS 32 -10.206 14.651 6.539 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -9.726 14.871 5.559 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -10.606 15.611 6.929 0.00 0.00 P H +ATOM 514 CG LYS 32 -9.256 14.281 7.659 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -9.896 14.201 8.569 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.776 13.281 7.619 0.00 0.00 P H +ATOM 517 CD LYS 32 -8.146 15.181 7.779 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -7.456 15.041 6.919 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -8.646 16.171 7.689 0.00 0.00 P H +ATOM 520 CE LYS 32 -7.276 15.211 9.069 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -6.976 14.151 9.209 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -6.366 15.851 9.069 0.00 0.00 P H +ATOM 523 NZ LYS 32 -7.926 15.721 10.239 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -8.596 16.431 9.869 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -8.266 14.971 10.859 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -7.246 16.401 10.649 0.00 0.00 P H +ATOM 527 C LYS 32 -12.436 14.481 5.449 0.00 0.00 P C +ATOM 528 O LYS 32 -12.326 14.501 4.219 0.00 0.00 P O +ATOM 529 N GLN 33 -13.336 15.171 6.159 0.00 0.00 P N +ATOM 530 HN GLN 33 -13.506 14.901 7.109 0.00 0.00 P H +ATOM 531 CA GLN 33 -14.386 15.991 5.629 0.00 0.00 P C +ATOM 532 HA GLN 33 -14.636 16.601 6.479 0.00 0.00 P H +ATOM 533 CB GLN 33 -13.826 17.211 4.699 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -12.986 16.791 4.119 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -14.656 17.441 3.999 0.00 0.00 P H +ATOM 536 CG GLN 33 -13.316 18.561 5.459 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -12.736 18.291 6.369 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -12.646 19.041 4.719 0.00 0.00 P H +ATOM 539 CD GLN 33 -14.576 19.481 5.759 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -15.666 19.051 6.149 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -14.406 20.851 5.839 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -14.926 21.581 6.289 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -13.526 21.121 5.429 0.00 0.00 P H +ATOM 544 C GLN 33 -15.636 15.401 5.029 0.00 0.00 P C +ATOM 545 O GLN 33 -15.636 14.221 4.609 0.00 0.00 P O +ATOM 546 N GLY 34 -16.776 16.171 5.229 0.00 0.00 P N +ATOM 547 HN GLY 34 -16.786 17.081 5.609 0.00 0.00 P H +ATOM 548 CA GLY 34 -18.076 15.981 4.679 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -18.326 15.041 5.149 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -18.646 16.861 4.909 0.00 0.00 P H +ATOM 551 C GLY 34 -18.096 15.911 3.149 0.00 0.00 P C +ATOM 552 O GLY 34 -17.076 16.121 2.379 0.00 0.00 P O +ATOM 553 N LEU 35 -19.306 15.911 2.529 0.00 0.00 P N +ATOM 554 HN LEU 35 -20.226 15.781 2.899 0.00 0.00 P H +ATOM 555 CA LEU 35 -19.396 15.831 0.989 0.00 0.00 P C +ATOM 556 HA LEU 35 -18.536 16.421 0.719 0.00 0.00 P H +ATOM 557 CB LEU 35 -19.296 14.371 0.489 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -19.046 14.281 -0.591 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -18.416 13.931 1.009 0.00 0.00 P H +ATOM 560 CG LEU 35 -20.536 13.411 0.699 0.00 0.00 P C +ATOM 561 HG LEU 35 -21.066 13.751 1.609 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -21.556 13.661 -0.531 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -22.546 13.281 -0.211 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -21.736 14.741 -0.721 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -21.266 13.181 -1.491 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -19.996 11.991 0.819 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -19.586 11.781 1.829 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -20.806 11.261 0.589 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -19.176 11.941 0.069 0.00 0.00 P H +ATOM 570 C LEU 35 -20.726 16.611 0.539 0.00 0.00 P C +ATOM 571 O LEU 35 -21.716 16.641 1.129 0.00 0.00 P O +ATOM 572 N ALA 36 -20.496 17.441 -0.491 0.00 0.00 P N +ATOM 573 HN ALA 36 -19.616 17.361 -0.941 0.00 0.00 P H +ATOM 574 CA ALA 36 -21.526 18.451 -1.061 0.00 0.00 P C +ATOM 575 HA ALA 36 -22.536 18.151 -0.801 0.00 0.00 P H +ATOM 576 CB ALA 36 -21.336 19.851 -0.501 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -20.366 20.351 -0.721 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -22.186 20.531 -0.691 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -21.306 19.651 0.599 0.00 0.00 P H +ATOM 580 C ALA 36 -21.316 18.511 -2.601 0.00 0.00 P C +ATOM 581 O ALA 36 -20.256 18.161 -3.151 0.00 0.00 P O +ATOM 582 N ILE 37 -22.226 19.221 -3.391 0.00 0.00 P N +ATOM 583 HN ILE 37 -22.996 19.671 -2.951 0.00 0.00 P H +ATOM 584 CA ILE 37 -22.196 19.111 -4.741 0.00 0.00 P C +ATOM 585 HA ILE 37 -21.816 18.171 -5.101 0.00 0.00 P H +ATOM 586 CB ILE 37 -23.526 19.071 -5.241 0.00 0.00 P C +ATOM 587 HB ILE 37 -24.126 18.231 -4.821 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -24.236 20.361 -4.761 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -25.256 20.281 -5.181 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -24.446 20.251 -3.671 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -23.636 21.251 -5.061 0.00 0.00 P H +ATOM 592 CG1 ILE 37 -23.536 18.731 -6.801 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -22.956 19.491 -7.361 0.00 0.00 P H +ATOM 594 HG12 ILE 37 -22.966 17.781 -6.711 0.00 0.00 P H +ATOM 595 CD ILE 37 -24.866 18.381 -7.511 0.00 0.00 P C +ATOM 596 HD1 ILE 37 -25.506 19.211 -7.141 0.00 0.00 P H +ATOM 597 HD2 ILE 37 -24.706 18.261 -8.601 0.00 0.00 P H +ATOM 598 HD3 ILE 37 -25.216 17.411 -7.091 0.00 0.00 P H +ATOM 599 C ILE 37 -21.256 20.151 -5.321 0.00 0.00 P C +ATOM 600 O ILE 37 -20.966 21.211 -4.671 0.00 0.00 P O +ATOM 601 N GLU 38 -20.716 19.951 -6.581 0.00 0.00 P N +ATOM 602 HN GLU 38 -20.726 19.071 -7.051 0.00 0.00 P H +ATOM 603 CA GLU 38 -19.856 20.991 -7.131 0.00 0.00 P C +ATOM 604 HA GLU 38 -19.166 21.381 -6.391 0.00 0.00 P H +ATOM 605 CB GLU 38 -18.846 20.121 -8.111 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -19.606 19.511 -8.651 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -18.266 20.761 -8.811 0.00 0.00 P H +ATOM 608 CG GLU 38 -17.876 19.291 -7.251 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -17.276 19.931 -6.571 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -18.476 18.501 -6.741 0.00 0.00 P H +ATOM 611 CD GLU 38 -16.916 18.591 -8.091 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -15.726 18.351 -7.681 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -17.256 18.231 -9.301 0.00 0.00 P O +ATOM 614 C GLU 38 -20.636 22.011 -8.111 0.00 0.00 P C +ATOM 615 O GLU 38 -19.906 22.651 -8.841 0.00 0.00 P O +ATOM 616 N ALA 39 -21.926 22.131 -8.061 0.00 0.00 P N +ATOM 617 HN ALA 39 -22.416 21.631 -7.361 0.00 0.00 P H +ATOM 618 CA ALA 39 -22.626 22.891 -9.111 0.00 0.00 P C +ATOM 619 HA ALA 39 -21.976 23.361 -9.831 0.00 0.00 P H +ATOM 620 CB ALA 39 -23.696 21.981 -9.581 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -23.216 21.351 -10.361 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -24.276 21.221 -9.011 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -24.376 22.621 -10.181 0.00 0.00 P H +ATOM 624 C ALA 39 -23.296 24.201 -8.451 0.00 0.00 P C +ATOM 625 O ALA 39 -23.476 24.271 -7.231 0.00 0.00 P O +ATOM 626 NT ALA 39 -23.606 25.231 -9.221 0.00 0.00 P N +ATOM 627 HNT ALA 39 -23.276 25.161 -10.151 0.00 0.00 P H +ATOM 628 CAT ALA 39 -24.526 26.241 -9.001 0.00 0.00 P C +ATOM 629 HT1 ALA 39 -24.426 26.621 -7.961 0.00 0.00 P H +ATOM 630 HT2 ALA 39 -24.316 27.181 -9.551 0.00 0.00 P H +ATOM 631 HT3 ALA 39 -25.606 26.031 -9.191 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 6.075 4.690 16.121 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 6.385 5.600 16.111 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 5.505 4.640 16.901 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 -5.934 -20.213 -20.475 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 -6.494 -20.543 -21.175 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 -5.734 -19.313 -20.725 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 11.016 2.140 3.422 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 11.056 3.050 3.132 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 11.786 1.720 3.032 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -7.507 20.810 -23.407 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -8.047 21.430 -22.907 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -7.747 20.990 -24.317 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 5.465 -21.133 -10.987 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 5.185 -21.083 -11.907 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.005 -21.923 -10.937 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 -17.215 5.975 -5.913 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 -16.665 5.195 -5.893 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 -16.735 6.595 -6.463 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 16.717 -3.467 13.377 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 16.027 -2.937 13.767 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 17.207 -2.847 12.837 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -18.636 -16.682 22.777 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -18.066 -17.392 23.077 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -18.036 -16.022 22.437 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 -8.772 22.888 8.408 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 -8.562 22.658 7.508 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 -8.822 23.848 8.408 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 -22.146 -19.185 -8.041 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 -22.156 -18.385 -7.511 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 -21.726 -19.845 -7.491 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 23.056 -6.814 -15.481 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 23.286 -6.204 -16.181 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 22.376 -6.364 -14.981 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 7.857 14.293 9.242 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 7.977 14.263 10.192 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 8.707 14.573 8.902 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 -20.904 4.416 21.622 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 -21.434 3.796 22.122 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 -20.544 3.896 20.902 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 -24.799 12.350 14.217 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 -24.609 11.650 13.597 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 -25.639 12.100 14.607 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 15.424 -9.144 5.331 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 15.984 -9.624 5.941 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 14.574 -9.114 5.771 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 23.590 11.313 -12.893 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 23.880 10.613 -12.303 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 24.300 11.953 -12.893 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 21.255 6.770 -6.802 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 20.445 6.940 -7.272 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 21.405 7.560 -6.282 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 9.147 -21.011 6.370 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 9.827 -20.731 5.760 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 8.927 -20.221 6.870 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -4.429 13.775 -3.564 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -4.489 13.935 -4.504 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -4.139 14.615 -3.194 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 -19.280 -8.676 23.925 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 -18.740 -8.566 23.145 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 -18.860 -8.126 24.585 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 3.807 10.577 23.797 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 3.827 11.157 23.037 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 4.287 9.797 23.517 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 13.726 -25.101 22.196 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 13.026 -24.531 22.516 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 14.146 -24.601 21.506 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -17.232 12.445 -16.859 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -17.052 11.605 -16.439 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -16.912 13.095 -16.229 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 -20.009 4.611 -10.669 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 -20.369 4.891 -11.509 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 -20.529 3.841 -10.429 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 14.507 -14.393 -5.809 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 13.827 -14.723 -6.399 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 14.037 -14.013 -5.069 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -6.242 22.158 23.527 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -5.592 21.588 23.117 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -6.912 21.558 23.847 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -25.016 -10.216 -0.753 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -24.606 -9.806 -1.513 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -25.026 -9.536 -0.083 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 24.621 -4.269 -0.279 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 25.521 -4.229 0.051 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 24.151 -3.609 0.231 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -20.629 -21.368 -7.221 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -20.209 -20.828 -6.541 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -20.249 -22.238 -7.101 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 23.694 17.043 -0.733 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 24.614 17.023 -0.983 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 23.424 17.953 -0.863 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 -17.821 -3.107 13.656 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 -18.081 -3.757 14.316 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 -17.031 -2.697 14.016 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 3.680 2.896 23.179 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 2.920 2.706 23.729 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 4.290 2.186 23.359 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 -21.251 11.531 22.843 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 -21.111 11.101 23.683 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 -20.381 11.851 22.583 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 10.676 -6.405 -12.657 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 11.496 -5.985 -12.407 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 10.186 -5.725 -13.117 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 -11.760 -12.548 5.509 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 -11.130 -13.208 5.239 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 -11.730 -12.568 6.469 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -23.046 -10.010 -23.676 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -23.316 -10.880 -23.356 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -22.156 -10.140 -23.996 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 -9.049 -12.987 0.906 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 -8.969 -13.227 1.826 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 -9.899 -13.337 0.646 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 4.364 21.707 24.509 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 4.164 22.157 25.329 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 5.284 21.907 24.349 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -10.944 -9.340 15.416 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -11.834 -8.990 15.356 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -10.694 -9.190 16.326 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 20.846 -11.991 15.909 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 20.546 -11.901 15.009 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 20.626 -12.891 16.149 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -13.849 24.981 4.625 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -13.399 25.731 4.225 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -13.499 24.941 5.515 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 2.373 -9.007 -3.800 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 2.603 -9.137 -2.880 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 3.073 -8.457 -4.140 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 22.620 13.696 3.202 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 22.080 14.126 2.542 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 22.490 12.756 3.052 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 15.319 16.352 -18.189 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 14.689 16.862 -18.699 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 14.819 16.032 -17.439 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 -3.234 -7.676 -21.111 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 -2.454 -7.266 -21.471 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 -3.614 -7.006 -20.541 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 9.529 -17.260 14.030 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 10.069 -17.610 14.740 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 8.709 -17.020 14.460 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 -23.941 -14.137 -10.765 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 -23.351 -13.777 -10.105 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 -23.641 -15.027 -10.905 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -21.584 -4.765 15.412 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -21.444 -4.265 14.612 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -22.414 -5.225 15.272 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 -23.753 19.752 -18.188 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 -23.723 19.252 -19.008 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 -23.423 20.612 -18.428 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 -1.046 9.684 -4.611 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 -0.856 10.624 -4.571 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 -0.206 9.264 -4.451 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 21.584 14.734 5.334 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 22.064 14.254 4.654 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 21.774 15.654 5.144 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 22.358 8.675 9.220 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 22.118 8.225 8.410 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 22.708 7.985 9.780 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 25.036 -8.358 17.665 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 24.316 -7.818 17.325 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 24.606 -9.058 18.155 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 19.174 10.909 -13.044 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 20.104 10.709 -12.904 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 19.174 11.569 -13.744 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 7.245 -7.622 3.210 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 7.445 -8.462 3.610 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 6.305 -7.652 3.020 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -4.389 13.086 -9.386 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -3.569 13.576 -9.396 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -4.479 12.756 -10.276 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 15.864 19.241 2.731 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.304 19.021 1.981 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 15.904 18.431 3.241 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 16.799 6.227 14.641 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 17.679 6.447 14.941 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 16.669 6.737 13.851 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 21.110 -13.907 -15.359 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 20.820 -14.527 -14.699 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 20.480 -13.197 -15.319 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -6.935 1.301 -6.043 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -6.245 1.961 -6.033 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -7.745 1.801 -6.133 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 -1.987 -11.347 24.303 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 -2.717 -10.747 24.203 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 -1.277 -10.947 23.813 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 24.645 19.493 -24.084 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 24.525 20.153 -23.394 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 24.145 18.743 -23.784 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -8.833 15.795 17.647 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -7.933 15.795 17.327 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -8.743 15.805 18.597 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -17.985 -2.731 24.727 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -17.785 -3.361 24.027 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -17.335 -2.911 25.407 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -8.524 6.164 -3.754 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -8.544 5.304 -4.184 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -8.874 6.774 -4.404 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 12.551 -4.774 -11.810 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 12.142 -5.084 -11.010 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 12.142 -3.924 -11.990 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -18.629 -2.819 21.325 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -19.519 -2.469 21.255 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -18.059 -2.059 21.295 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -10.933 20.351 16.983 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -11.253 21.241 17.083 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -9.973 20.431 16.963 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -22.354 -14.805 0.756 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -22.714 -14.765 -0.134 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -21.424 -14.965 0.626 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -2.729 -10.875 15.120 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -2.849 -10.785 14.170 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -1.779 -10.805 15.250 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -24.329 -11.902 10.922 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -24.049 -11.202 11.512 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -23.519 -12.222 10.532 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 -20.172 23.675 -4.993 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 -19.262 23.755 -5.253 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 -20.212 22.875 -4.473 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 8.623 15.254 -20.278 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 8.323 14.374 -20.068 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 9.543 15.154 -20.508 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 15.571 -16.606 17.366 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 14.911 -16.876 16.736 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 15.892 -15.766 17.036 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 15.637 20.360 8.886 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 16.517 20.470 9.236 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 15.777 20.080 7.976 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 8.787 -11.086 24.320 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 8.147 -10.406 24.490 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 8.587 -11.776 24.940 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 -8.852 -3.752 6.392 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 -8.602 -2.852 6.192 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 -8.022 -4.242 6.382 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -12.297 12.629 -9.090 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -12.327 11.719 -8.790 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -12.037 13.129 -8.320 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -16.789 -17.114 -2.732 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -16.769 -16.254 -2.312 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -15.869 -17.334 -2.892 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 -17.792 23.768 -9.071 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 -18.532 23.158 -9.141 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 -17.172 23.318 -8.501 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 -6.456 -23.931 21.376 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 -7.206 -23.941 20.786 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 -5.906 -23.221 21.056 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -16.570 -19.288 10.019 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -15.620 -19.248 9.929 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -16.870 -19.798 9.259 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 -17.446 16.712 -4.244 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 -17.706 16.362 -5.094 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 -18.256 17.052 -3.864 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -9.240 14.743 -13.703 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -10.150 14.883 -13.943 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -8.770 15.483 -14.073 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 14.179 1.901 -19.587 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 14.219 2.761 -20.007 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 13.659 1.361 -20.177 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -18.051 14.001 24.299 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -18.891 14.381 24.569 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -18.291 13.251 23.749 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 -24.209 -12.968 14.729 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 -23.259 -12.888 14.749 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 -24.429 -12.978 13.799 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -13.974 15.673 1.709 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -14.884 15.393 1.609 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -13.674 15.233 2.499 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 6.701 22.097 22.952 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 6.301 21.247 22.812 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 6.501 22.587 22.152 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -12.977 13.261 -16.941 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -12.787 13.291 -17.871 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -12.917 12.341 -16.711 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 -1.536 -10.496 -15.888 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 -2.456 -10.746 -15.778 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 -1.576 -9.606 -16.238 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 23.589 -3.020 -11.704 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 23.699 -2.070 -11.564 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 22.819 -3.240 -11.184 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 -24.795 -7.961 -14.418 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 -25.385 -8.101 -15.168 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 -23.935 -7.851 -14.818 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 18.827 -0.651 5.519 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 19.307 -0.771 6.339 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 18.077 -1.251 5.589 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 1.584 17.513 -8.679 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 1.554 17.243 -9.589 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 2.164 16.883 -8.249 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 11.421 24.684 4.131 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 10.971 23.834 4.141 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 10.921 25.234 4.731 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 -0.173 10.670 -2.069 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 0.627 10.600 -2.589 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 -0.353 9.770 -1.779 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 10.043 -4.237 -16.203 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 10.013 -3.287 -16.133 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 9.323 -4.547 -15.663 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 -9.419 -15.751 -2.329 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 -8.599 -15.281 -2.179 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 -9.499 -15.781 -3.279 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 24.909 1.391 -7.609 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 25.379 0.801 -7.019 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 24.989 2.251 -7.189 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 24.815 15.052 23.814 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 23.925 15.392 23.774 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 25.375 15.832 23.854 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -12.706 23.962 -15.388 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -11.766 23.932 -15.538 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -12.836 23.462 -14.588 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 7.473 7.137 -11.875 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 6.593 6.887 -11.585 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 8.013 6.357 -11.725 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 21.468 -23.240 17.587 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 22.038 -22.830 18.227 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 21.708 -24.170 17.617 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -0.871 -15.175 17.317 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -1.551 -15.775 17.017 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -0.851 -15.295 18.267 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -7.064 -19.845 4.457 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -7.804 -19.255 4.317 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -6.794 -19.685 5.357 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 23.317 -17.248 -16.147 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 22.897 -17.068 -15.307 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 23.067 -18.148 -16.347 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -14.262 20.515 -15.734 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -13.482 21.035 -15.954 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -14.262 19.805 -16.374 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 6.990 -16.973 5.483 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 7.090 -17.523 6.263 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 7.800 -17.123 4.983 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.194 -20.676 8.441 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 14.234 -20.566 7.491 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.964 -20.226 8.771 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -9.463 5.029 -11.931 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -10.273 4.699 -12.311 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -9.423 4.639 -11.061 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 6.438 13.400 -9.958 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 6.338 13.990 -10.698 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 6.628 12.550 -10.348 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 -6.726 16.681 -10.461 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 -6.436 16.451 -11.351 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 -6.146 17.401 -10.211 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 -15.237 4.383 11.811 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 -15.327 3.533 12.241 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 -15.827 4.323 11.051 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 8.685 -8.153 -13.820 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 9.245 -8.623 -14.430 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 9.215 -7.413 -13.520 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -8.415 3.253 -21.333 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -9.035 3.493 -22.023 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -7.595 3.083 -21.793 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -6.237 9.368 13.703 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -5.417 9.748 13.403 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -6.617 8.968 12.923 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -7.751 4.711 -9.158 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -7.921 5.591 -9.488 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -6.811 4.601 -9.248 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -8.105 21.666 17.385 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -7.525 21.806 18.135 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -8.545 22.516 17.265 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -14.415 -20.684 6.519 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -14.135 -20.034 7.169 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -15.015 -21.254 6.999 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 -17.282 16.472 13.825 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 -17.352 15.902 13.065 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 -17.722 17.282 13.555 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -14.301 -19.427 20.412 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -14.891 -19.257 21.152 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -13.521 -19.817 20.812 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 18.980 8.158 13.116 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 19.470 7.618 12.486 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 19.490 8.958 13.206 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 -0.261 -0.917 -2.202 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 -0.431 -0.007 -1.962 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 0.519 -1.157 -1.722 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 -19.579 6.659 -2.789 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 -19.539 5.749 -3.089 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 -19.229 7.169 -3.519 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 2.038 23.919 -4.659 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 2.938 24.159 -4.869 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 2.118 23.189 -4.049 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -4.684 -3.742 20.391 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -5.544 -3.692 20.811 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -4.584 -2.902 19.941 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 2.338 15.066 18.415 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 2.518 15.846 17.895 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 1.508 14.736 18.075 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -16.016 -13.569 -3.136 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -15.216 -13.929 -2.746 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -16.646 -13.539 -2.416 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 1.138 13.971 -8.648 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 1.968 14.151 -8.218 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 1.298 14.151 -9.568 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 -2.551 24.613 -22.198 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 -3.121 25.373 -22.108 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 -1.691 24.933 -21.938 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 -9.963 1.769 -11.878 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 -10.793 2.179 -11.628 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 -10.203 0.869 -12.108 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 3.379 18.464 -18.461 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 3.199 19.254 -18.971 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 3.539 17.784 -19.121 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 -22.623 11.229 -14.999 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 -22.413 10.319 -14.819 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 -21.813 11.609 -15.349 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 0.353 2.421 0.322 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -0.037 3.091 0.872 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -0.377 1.831 0.102 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 24.304 4.619 4.466 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 24.204 4.699 3.516 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 24.324 3.669 4.626 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 3.505 11.657 -9.439 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 2.565 11.617 -9.269 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 3.765 12.517 -9.109 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 15.511 14.963 14.432 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 15.821 14.683 13.572 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 14.571 15.043 14.332 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 12.084 -21.922 -3.585 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 12.854 -21.402 -3.355 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 12.294 -22.302 -4.435 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 -18.427 -8.245 -15.572 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 -19.207 -8.255 -15.022 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 -18.757 -8.115 -16.462 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -22.655 24.073 -16.151 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -22.055 24.463 -15.511 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -22.855 24.783 -16.751 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 14.048 8.201 -12.810 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 14.108 7.461 -12.210 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 14.868 8.171 -13.310 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 2.724 9.423 0.005 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 2.594 8.863 0.765 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 2.164 9.053 -0.675 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -2.714 1.880 21.921 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -2.844 2.260 22.781 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -3.594 1.780 21.561 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 0.565 -18.071 16.892 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 1.325 -18.661 16.882 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 0.375 -17.911 15.962 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 -16.790 -2.591 -10.683 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 -16.420 -3.471 -10.603 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 -16.030 -2.021 -10.743 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 19.390 18.494 -10.924 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 18.490 18.294 -11.194 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 19.920 17.874 -11.424 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 4.381 17.888 -9.261 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 3.651 17.688 -9.841 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 4.971 18.438 -9.781 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -14.084 19.459 23.549 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -14.644 20.229 23.419 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -13.594 19.389 22.729 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 -8.012 -17.181 14.117 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 -8.892 -16.821 14.197 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 -7.582 -16.971 14.947 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 10.217 -8.477 0.276 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 10.757 -7.727 0.506 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 10.837 -9.167 0.046 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 20.369 -0.136 10.897 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 20.629 0.624 10.387 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 20.959 -0.836 10.617 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 21.193 -23.947 -9.320 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 20.323 -23.737 -8.980 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 21.723 -23.177 -9.100 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -16.199 -7.520 -18.499 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -16.569 -8.210 -19.049 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -15.299 -7.810 -18.339 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -5.740 -20.112 22.142 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -4.940 -20.352 22.592 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -5.760 -19.152 22.172 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 23.280 8.636 -12.073 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 22.370 8.496 -12.363 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 23.790 8.026 -12.593 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 -14.339 -18.862 -9.180 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 -14.779 -18.192 -9.700 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 -13.859 -18.372 -8.510 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 22.861 21.750 11.249 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 22.991 21.050 10.599 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 23.131 21.360 12.079 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 -17.010 15.131 -21.672 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 -16.260 14.821 -21.152 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 -17.750 15.111 -21.062 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 -13.554 -19.845 10.096 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 -14.104 -20.635 10.126 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 -12.684 -20.175 9.906 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 25.340 -21.384 4.865 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 25.100 -20.684 5.465 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 24.710 -21.324 4.145 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 -3.550 -5.507 4.209 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 -3.460 -6.117 4.949 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 -3.560 -6.077 3.439 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 1.430 22.064 -21.512 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 2.110 22.434 -22.082 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 1.000 21.404 -22.052 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 -7.019 0.602 -1.147 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 -6.109 0.552 -1.437 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 -7.469 1.062 -1.857 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 5.065 11.076 -17.141 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 4.565 11.876 -17.341 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 5.385 11.216 -16.241 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 -9.526 9.195 22.522 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 -8.726 8.805 22.162 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 -9.456 10.125 22.302 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -15.446 -5.180 -21.655 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -15.126 -4.670 -20.915 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.476 -6.090 -21.335 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 22.110 11.056 1.096 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 23.000 10.766 0.876 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 21.640 11.056 0.266 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 8.231 14.993 -8.678 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 7.621 14.483 -9.218 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 9.041 14.483 -8.688 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -15.935 9.548 18.591 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -16.345 9.558 17.721 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -15.405 10.348 18.611 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 11.873 1.959 21.837 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 12.213 1.329 21.197 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 11.133 2.379 21.387 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 -1.391 12.971 12.187 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 -1.151 13.901 12.167 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 -1.371 12.701 11.267 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -1.406 -5.705 -21.998 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.046 -5.465 -22.858 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.016 -4.995 -21.788 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 11.480 14.872 -21.884 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 11.660 14.902 -20.944 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 12.100 15.492 -22.264 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 21.375 -17.029 3.539 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 21.335 -17.869 3.089 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 21.045 -17.209 4.419 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 -11.684 4.471 15.072 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 -11.614 5.011 15.862 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 -11.414 5.061 14.362 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 -2.105 5.268 -4.456 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 -2.205 6.178 -4.166 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 -1.405 5.308 -5.116 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 -17.222 11.436 11.574 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 -18.042 11.236 12.014 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 -17.182 12.386 11.544 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 16.267 -22.555 -23.318 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 15.797 -21.995 -23.928 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 15.907 -22.345 -22.458 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 -17.401 4.389 -10.215 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 -17.381 3.509 -9.835 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 -18.321 4.539 -10.435 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 19.669 -4.291 7.427 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 19.449 -4.651 6.567 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.129 -5.001 7.877 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 3.470 -4.572 15.407 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 3.430 -3.842 16.017 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 2.850 -4.342 14.717 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 -16.057 3.398 -13.133 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 -16.757 4.058 -13.053 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 -15.247 3.908 -13.123 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 -5.644 -16.782 22.576 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 -6.204 -17.132 23.276 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 -6.204 -16.792 21.796 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 -19.875 18.331 15.811 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 -20.495 17.971 16.451 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 -20.245 18.091 14.961 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 -5.407 9.440 24.014 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 -5.337 9.870 23.164 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 -6.167 8.870 23.924 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -11.913 13.697 -24.661 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -12.393 14.527 -24.641 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -12.363 13.177 -25.331 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 1.933 18.250 11.425 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 1.123 18.610 11.785 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 2.403 19.010 11.075 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -16.144 -5.264 24.056 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -15.374 -5.614 24.496 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -15.984 -5.454 23.126 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 -25.403 -7.809 23.309 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 -25.233 -6.959 22.889 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 -24.563 -8.079 23.669 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 -22.261 5.084 -1.315 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 -22.531 4.864 -2.205 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 -21.491 5.634 -1.415 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -0.395 -5.930 18.469 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -0.915 -6.590 18.019 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -0.625 -6.040 19.389 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 19.804 -14.528 22.595 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 20.224 -14.248 21.785 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 20.384 -15.218 22.925 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 -10.086 1.250 20.567 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 -10.126 1.920 21.257 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 -11.006 1.060 20.357 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 2.079 -5.538 -6.458 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 2.069 -5.028 -5.648 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 2.499 -4.978 -7.108 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -14.545 -18.097 -4.379 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -14.995 -17.997 -5.219 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -14.265 -19.017 -4.369 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 23.389 -17.077 -5.228 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 24.169 -16.807 -4.738 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 23.539 -17.997 -5.438 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 -13.025 -5.188 -11.071 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 -12.525 -5.918 -11.461 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 -13.545 -4.848 -11.791 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -1.649 13.580 -16.827 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -1.319 13.530 -15.927 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -2.389 12.980 -16.837 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 17.774 21.095 3.532 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 17.504 21.645 4.272 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 17.234 20.305 3.612 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -1.761 1.295 -1.428 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -1.791 0.445 -1.858 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -1.781 1.925 -2.158 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 10.609 -18.813 16.806 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 10.429 -18.773 17.746 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 10.679 -19.753 16.626 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -10.014 1.554 -6.108 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -9.644 1.464 -6.988 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -10.694 0.884 -6.078 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 10.109 11.582 -8.160 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 9.719 10.702 -8.140 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 10.269 11.792 -7.230 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 11.325 -19.942 -17.111 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 10.795 -20.202 -17.871 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 10.725 -19.412 -16.581 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -18.343 18.752 -11.993 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -18.323 18.552 -11.063 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -19.143 19.262 -12.113 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 25.204 -16.655 -9.541 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 24.984 -16.315 -10.401 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 24.444 -16.455 -9.001 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 -12.587 20.968 21.437 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 -13.017 21.628 21.967 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 -11.657 21.218 21.437 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 21.194 16.033 9.395 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 20.524 16.063 10.075 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 21.014 15.223 8.915 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 2.505 -25.104 -10.288 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.105 -24.814 -10.968 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 2.885 -24.784 -9.478 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 6.998 -13.938 -1.138 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 7.408 -13.378 -1.788 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 6.238 -14.308 -1.578 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 13.925 -24.855 -22.093 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 13.265 -24.605 -22.733 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 13.635 -25.705 -21.753 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 0.998 15.868 -18.947 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 1.518 16.278 -19.627 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 1.258 14.948 -18.947 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 8.807 23.313 -17.558 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 8.027 22.813 -17.808 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 8.677 24.173 -17.948 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 18.465 21.124 17.315 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 18.735 22.004 17.575 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 18.625 20.574 18.075 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -23.079 -1.039 -13.483 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -23.449 -1.779 -13.003 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -22.239 -0.869 -13.053 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 -0.992 16.745 -16.928 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 -0.422 15.975 -16.958 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 -1.012 16.995 -16.008 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 15.608 -4.993 -19.101 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 14.968 -5.043 -18.391 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 16.458 -5.023 -18.661 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 -24.674 -0.787 3.465 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 -24.544 -0.317 2.645 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 -24.584 -0.117 4.145 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 3.035 -23.706 0.595 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 3.075 -24.246 -0.205 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 3.655 -22.996 0.425 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 16.744 -10.340 13.049 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 16.514 -9.630 13.639 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 16.934 -9.920 12.209 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 5.744 24.610 9.676 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 6.584 25.060 9.556 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 5.894 24.010 10.406 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 12.959 -6.553 -16.320 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 13.559 -6.543 -15.570 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 12.649 -5.653 -16.390 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 16.131 5.928 -0.421 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 15.881 5.358 0.299 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 16.701 5.388 -0.971 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 -23.145 -4.388 0.816 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 -22.795 -4.278 1.706 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 -22.665 -3.738 0.296 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 1.936 -13.047 13.573 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 1.126 -13.497 13.323 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 2.486 -13.097 12.783 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 -7.725 6.866 2.613 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 -8.225 7.546 2.163 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 -7.345 7.306 3.363 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 5.493 -9.006 -6.820 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 6.163 -9.246 -6.180 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 5.673 -9.566 -7.570 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -18.565 9.141 -8.373 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -18.815 9.771 -9.043 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -19.155 8.401 -8.503 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 7.359 -6.949 -9.660 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 7.189 -6.969 -8.720 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 8.159 -6.429 -9.750 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 -9.845 15.354 22.251 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 -9.345 14.814 22.861 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 -9.855 14.854 21.441 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 1.016 24.624 20.555 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 1.526 24.054 19.975 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 1.166 25.504 20.205 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 -23.459 21.429 8.486 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 -23.079 21.229 7.636 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 -23.239 22.349 8.636 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 23.423 -1.650 7.817 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 23.523 -1.880 8.747 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 24.303 -1.750 7.457 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -4.342 -1.781 -3.924 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -4.892 -1.281 -4.534 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -3.512 -1.301 -3.904 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 5.561 -11.153 -13.622 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 4.721 -10.773 -13.872 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 5.761 -11.763 -14.332 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -12.112 -21.728 15.886 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -12.782 -21.178 15.496 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -11.542 -21.988 15.156 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 12.987 -5.183 -23.082 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 12.597 -6.033 -22.862 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 13.657 -5.053 -22.402 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -13.310 -5.748 -5.003 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -12.770 -5.818 -4.213 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.380 -6.648 -5.323 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 0.765 2.899 -3.576 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 1.175 3.249 -4.366 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 1.245 2.079 -3.406 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 13.034 -20.924 23.120 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 12.674 -21.314 23.920 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 13.714 -21.544 22.840 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 -2.037 21.217 -20.581 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 -2.177 21.387 -21.511 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 -1.407 20.507 -20.561 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 -6.412 4.812 20.190 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 -7.212 4.282 20.250 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 -6.682 5.602 19.730 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -17.030 22.706 -6.168 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -17.060 23.566 -5.748 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -16.120 22.596 -6.428 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 14.400 1.082 -10.440 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 13.720 0.572 -10.000 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 15.040 1.282 -9.750 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 -5.992 7.808 -5.354 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 -6.182 7.398 -4.514 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 -5.402 8.528 -5.144 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -17.075 25.071 -14.442 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -16.795 24.191 -14.712 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -17.165 25.551 -15.262 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 -21.431 12.099 10.801 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 -22.051 11.449 10.471 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 -20.571 11.789 10.501 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 -4.886 -25.087 -9.941 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 -5.606 -25.707 -9.861 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 -5.246 -24.387 -10.501 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 12.737 -24.705 1.352 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 12.447 -24.715 2.262 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 13.037 -25.605 1.192 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 13.719 23.251 -0.339 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 13.539 22.461 -0.849 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 14.329 22.971 0.341 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -21.116 3.443 24.273 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -21.356 2.863 24.993 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -20.426 2.973 23.803 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 -2.369 11.050 -8.301 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 -2.469 11.670 -9.021 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 -3.069 10.420 -8.441 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 -0.482 -12.551 -23.970 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 -0.592 -12.171 -24.840 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 -1.332 -12.431 -23.550 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 3.050 -17.057 13.984 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 2.940 -17.957 14.264 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 2.270 -16.607 14.304 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 16.594 2.336 23.656 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 17.464 2.716 23.506 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 15.984 3.046 23.446 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 -14.663 19.663 10.235 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 -15.613 19.613 10.135 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 -14.363 20.103 9.435 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -21.189 -2.798 8.765 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -20.679 -2.478 9.515 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -20.779 -3.638 8.545 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 9.604 6.431 23.875 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 8.754 6.071 23.615 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 9.814 7.071 23.195 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 24.234 -15.389 6.506 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 24.454 -16.289 6.276 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 24.524 -15.289 7.406 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 -17.429 -3.518 2.002 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 -17.399 -2.578 2.132 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 -18.149 -3.818 2.562 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 -22.102 16.522 15.372 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 -22.292 16.312 14.462 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 -22.852 16.172 15.862 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 -0.049 2.848 22.385 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 -0.839 2.448 22.015 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 0.141 2.328 23.165 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -21.873 7.170 -20.371 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -21.833 6.750 -19.521 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -21.783 6.460 -21.001 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -9.121 4.944 16.126 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -9.501 4.834 15.256 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -9.721 4.484 16.706 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 8.519 10.165 -2.180 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 8.509 10.875 -1.540 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 8.319 10.595 -3.010 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 11.226 17.785 -5.758 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 11.436 16.895 -6.048 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 10.506 18.055 -6.318 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 7.129 -1.990 -13.248 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 6.389 -2.170 -13.828 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 7.039 -1.060 -13.018 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 22.323 1.993 -8.403 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 21.753 1.223 -8.443 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 23.153 1.653 -8.083 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 -24.887 -11.437 -5.263 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 -25.787 -11.357 -5.563 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 -24.357 -11.317 -6.043 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 -0.289 13.847 17.960 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 0.281 13.127 18.230 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 -0.949 13.427 17.400 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 19.287 18.369 7.286 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 19.717 18.969 7.896 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 19.857 18.359 6.516 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 1.640 -4.110 12.496 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 1.900 -3.190 12.406 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 0.990 -4.100 13.196 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 17.445 18.618 -15.583 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 17.205 18.878 -14.693 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 16.725 18.058 -15.873 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 0.363 13.843 1.941 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -0.427 13.743 2.461 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 0.203 14.613 1.391 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 6.857 24.408 -12.074 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 6.327 24.048 -11.364 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 6.477 25.268 -12.244 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 -11.591 -3.042 -17.883 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 -11.011 -2.432 -18.343 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 -11.991 -2.512 -17.183 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -3.541 23.209 24.254 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -3.311 22.939 23.364 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -4.361 22.749 24.444 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 17.974 2.988 19.860 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 18.194 3.618 20.540 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 18.794 2.858 19.380 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.174 18.538 -3.291 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -9.364 19.298 -2.741 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -8.554 18.858 -3.941 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 19.669 -21.022 -19.997 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 20.479 -21.502 -20.177 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 19.779 -20.692 -19.107 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 4.563 10.008 -11.389 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 4.323 10.368 -10.539 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 4.653 10.768 -11.959 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 16.554 4.102 -6.897 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 16.814 3.522 -7.617 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 17.304 4.082 -6.297 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -2.879 -11.710 19.025 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -2.959 -12.580 19.405 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -3.779 -11.470 18.785 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 -22.044 -8.523 -11.136 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 -21.784 -9.403 -10.866 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 -22.874 -8.363 -10.686 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 13.933 2.680 -23.918 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 14.523 3.430 -23.858 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 14.423 2.030 -24.418 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -4.616 -0.338 8.399 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -4.486 -1.008 7.729 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -5.446 -0.568 8.809 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 2.939 -10.590 5.329 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 3.429 -10.830 6.119 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 2.229 -10.040 5.649 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -3.347 17.789 1.671 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -2.437 17.769 1.971 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -3.467 18.669 1.321 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 -6.183 -16.096 -20.029 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 -5.293 -16.056 -19.659 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 -6.563 -15.246 -19.829 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 24.527 -13.579 23.255 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 25.277 -13.139 23.655 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 24.227 -12.979 22.575 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -13.307 25.125 -19.040 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -13.607 24.255 -18.750 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -14.047 25.485 -19.530 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 -9.334 13.270 -9.252 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 -8.514 12.870 -8.962 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 -9.704 12.640 -9.872 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 10.461 -7.795 -21.319 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 10.911 -8.505 -21.779 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 10.881 -7.775 -20.459 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 -12.493 10.945 9.325 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 -13.353 10.545 9.425 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 -12.523 11.395 8.485 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 10.514 -15.239 22.587 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 10.194 -15.899 23.197 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 10.104 -15.459 21.757 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 -12.251 7.304 14.695 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 -12.511 8.214 14.555 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 -12.421 6.884 13.855 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 15.187 16.971 3.865 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 15.237 16.011 3.815 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 14.557 17.141 4.565 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 -6.552 10.251 21.598 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 -6.412 9.551 20.968 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 -6.042 10.991 21.248 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 22.930 -22.852 6.655 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 22.520 -22.942 7.515 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 23.380 -23.682 6.515 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 18.065 23.387 -3.064 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 18.685 22.737 -2.734 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 17.425 23.477 -2.354 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 18.906 13.221 -1.045 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 19.036 14.061 -1.495 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 19.456 13.281 -0.265 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 -6.570 25.158 5.777 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 -7.230 25.858 5.767 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 -6.800 24.608 5.037 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -0.842 -7.920 24.819 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -1.742 -8.090 25.069 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -0.762 -6.970 24.829 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -6.734 -20.138 -6.245 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -7.604 -20.538 -6.305 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -6.134 -20.828 -6.525 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 -7.869 -9.770 2.129 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 -7.729 -10.330 1.359 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 -8.649 -9.270 1.909 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -14.494 6.492 -5.405 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -14.144 7.382 -5.455 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -14.494 6.192 -6.315 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 20.356 -0.138 2.617 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 20.516 -0.618 1.807 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 20.746 -0.688 3.297 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -16.762 -11.295 18.725 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -16.162 -10.995 19.405 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -17.042 -12.165 19.015 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 -25.014 -2.921 9.838 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 -24.244 -3.191 10.328 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 -24.794 -3.091 8.918 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -20.652 9.677 -3.452 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -20.682 9.237 -2.602 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -21.252 9.177 -4.002 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 -9.430 21.498 5.952 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 -9.700 20.588 5.942 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 -8.620 21.518 5.442 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.570 -21.745 -23.306 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.650 -20.795 -23.316 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -20.130 -22.035 -24.026 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 6.575 -24.777 22.076 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 6.755 -25.077 22.966 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 7.375 -24.957 21.586 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -1.037 -16.639 24.661 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -1.677 -15.939 24.781 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -1.337 -17.099 23.871 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 13.165 -4.010 0.543 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 13.255 -4.600 1.283 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 13.795 -3.310 0.713 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -19.764 -0.321 9.306 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -19.834 -0.001 8.406 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -20.084 0.399 9.846 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -13.391 13.220 15.981 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -12.451 13.380 16.081 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -13.501 13.020 15.051 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 8.499 -24.154 -24.232 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 8.369 -24.884 -24.822 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 8.509 -23.374 -24.792 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 0.807 -11.241 -1.064 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 0.457 -10.611 -1.694 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 0.037 -11.761 -0.794 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 0.331 -10.145 -9.309 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -0.249 -9.415 -9.069 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 1.001 -10.145 -8.629 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -14.497 -17.490 -17.268 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -13.927 -16.840 -17.688 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -14.697 -18.110 -17.968 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 8.048 -24.337 0.023 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 8.288 -24.407 -0.907 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 7.668 -23.457 0.103 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 12.854 -0.649 -8.385 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 12.514 0.221 -8.155 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 12.104 -1.099 -8.795 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.025 19.644 8.801 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -16.785 19.544 7.881 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.635 18.934 8.971 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -8.535 -16.938 -11.913 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -9.375 -17.398 -11.813 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -8.635 -16.128 -11.423 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -9.514 -2.634 -21.521 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -8.974 -2.424 -22.281 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -9.104 -2.164 -20.801 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 13.421 1.666 8.429 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 14.151 2.256 8.589 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 13.451 1.476 7.499 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 8.085 23.526 -14.594 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 7.285 23.376 -15.084 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 7.795 23.846 -13.744 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 20.046 23.368 14.679 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 20.766 23.988 14.589 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 19.586 23.398 13.839 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 4.515 -16.911 -7.183 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 5.425 -17.041 -7.463 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 4.195 -16.191 -7.733 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -9.084 -4.771 -18.451 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -8.454 -4.401 -17.831 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -9.934 -4.541 -18.081 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 15.007 18.876 -20.200 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 15.697 19.486 -19.950 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 15.077 18.826 -21.160 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 11.183 -5.507 14.415 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 10.553 -5.367 15.115 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 11.283 -4.637 14.015 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 9.138 14.832 -16.920 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 8.398 15.222 -17.400 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 9.268 15.402 -16.170 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.908 -22.957 19.426 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 2.758 -23.137 19.836 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 2.048 -23.147 18.496 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -15.312 -20.095 -14.615 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -15.872 -20.635 -15.165 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -14.512 -19.975 -15.115 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -1.021 -4.588 5.427 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -1.881 -4.828 5.077 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -0.751 -3.818 4.917 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 6.306 -17.095 -12.581 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 6.766 -17.385 -11.791 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 6.956 -16.565 -13.051 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 -7.504 7.930 -25.269 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 -8.434 7.740 -25.159 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 -7.054 7.160 -24.919 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 1.050 20.480 -13.502 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 1.610 20.500 -14.282 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 0.160 20.570 -13.842 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 22.304 24.473 -18.398 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 21.684 23.763 -18.558 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 22.954 24.383 -19.088 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 2.834 23.520 12.986 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 2.064 22.970 13.116 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 2.684 23.940 12.146 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 4.925 0.698 -4.985 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 5.875 0.698 -4.855 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 4.815 0.438 -5.905 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -12.930 12.733 13.455 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -11.980 12.613 13.515 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -13.130 12.563 12.535 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 21.903 12.881 -22.449 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 21.693 12.481 -21.599 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 22.853 12.871 -22.489 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 19.126 -7.637 -3.415 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 19.176 -8.547 -3.685 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 19.526 -7.147 -4.135 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 -13.474 -8.202 18.354 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 -13.564 -9.012 18.864 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 -13.414 -8.492 17.444 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 -1.697 0.787 -17.015 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 -2.547 0.447 -17.295 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 -1.497 1.477 -17.655 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 15.133 -21.685 -7.378 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 15.603 -22.125 -8.088 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 15.733 -21.005 -7.078 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 -17.207 -18.847 -10.384 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 -17.247 -17.897 -10.464 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 -18.007 -19.157 -10.814 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 23.026 23.151 17.202 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 23.376 23.981 17.512 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 22.806 23.301 16.282 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.262 9.850 -21.193 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -21.602 10.220 -21.773 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -21.982 8.940 -21.063 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 19.820 7.939 -23.308 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 19.120 7.299 -23.228 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 19.740 8.479 -22.518 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 -23.789 -8.716 -2.878 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 -23.899 -7.966 -3.458 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 -23.529 -9.436 -3.458 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -24.042 1.249 19.152 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -23.492 0.479 19.052 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -24.182 1.329 20.102 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 -21.304 23.915 22.862 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 -21.914 23.425 22.302 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 -21.254 23.405 23.662 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 -15.170 1.843 -2.654 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 -14.660 2.583 -2.974 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 -16.050 1.983 -3.004 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 -3.539 3.498 3.845 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 -4.359 3.568 4.345 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 -2.909 3.988 4.365 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 6.071 -11.510 -20.471 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 5.281 -11.910 -20.821 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 6.251 -10.780 -21.061 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 16.920 4.525 10.471 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 17.180 3.705 10.051 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 16.800 4.285 11.391 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 0.214 10.645 1.092 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 0.134 11.585 1.272 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 0.614 10.605 0.222 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 1.517 11.131 -4.274 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 2.067 11.901 -4.114 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 1.297 11.191 -5.204 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 -22.983 23.601 19.942 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 -22.133 23.991 19.722 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 -22.813 22.651 19.952 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -2.414 23.019 -4.660 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -2.404 23.099 -5.620 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -1.744 23.629 -4.360 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -7.455 -1.938 4.555 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -7.205 -1.138 4.085 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -7.905 -2.468 3.905 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 1.430 -2.131 2.781 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 1.510 -3.081 2.891 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 0.880 -2.031 2.001 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 -14.911 -4.518 1.051 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 -15.021 -5.068 1.831 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 -15.541 -3.808 1.171 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 15.671 -0.032 -24.375 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.001 -0.622 -25.045 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 15.001 -0.532 -23.915 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 14.574 -0.741 -15.493 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 15.244 -0.341 -16.043 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 13.744 -0.401 -15.823 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 20.696 21.608 -6.568 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 20.986 20.858 -6.058 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 21.496 21.948 -6.978 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 -1.023 -1.271 -7.111 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 -0.293 -1.201 -6.501 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 -0.803 -2.011 -7.671 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -25.289 -12.048 -24.303 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -24.469 -12.188 -24.793 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -25.309 -12.758 -23.663 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 0.907 19.445 -0.168 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 1.817 19.565 -0.448 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 0.387 19.945 -0.798 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 -6.300 8.150 -0.359 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 -6.140 8.900 -0.939 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 -7.140 7.800 -0.629 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 -18.993 15.505 16.106 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 -18.143 15.345 16.506 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 -18.813 16.065 15.356 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 -18.449 -7.501 -22.055 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 -18.319 -6.771 -21.455 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 -18.399 -7.101 -22.925 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -13.912 19.788 16.919 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -14.362 19.198 16.309 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -13.432 19.198 17.509 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 -5.582 5.780 5.306 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 -5.582 5.410 6.186 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 -6.202 6.510 5.346 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 2.469 -9.587 13.595 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 2.489 -8.647 13.785 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 2.169 -9.647 12.685 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 -3.984 21.370 22.339 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 -4.204 20.500 22.009 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 -3.034 21.370 22.379 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 5.715 -1.340 6.549 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 5.955 -1.500 7.469 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 5.435 -2.190 6.219 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -14.313 25.259 20.101 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -14.483 24.349 19.861 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -15.023 25.759 19.671 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 0.069 17.192 -2.020 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 0.849 16.942 -2.520 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 0.399 17.812 -1.360 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -15.971 -0.240 24.747 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -15.161 -0.720 24.897 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -16.441 -0.750 24.087 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 -21.203 22.301 6.270 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 -21.383 23.051 5.700 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 -21.643 21.571 5.840 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 10.688 2.888 9.051 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 10.768 3.828 9.201 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 11.588 2.568 9.061 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -21.469 -18.608 -11.337 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -22.379 -18.388 -11.187 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -21.459 -19.558 -11.427 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 -17.383 -9.533 -5.061 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 -17.123 -8.813 -5.641 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 -17.783 -10.173 -5.651 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 18.011 6.268 -22.005 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 18.681 5.668 -22.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 17.181 5.888 -22.305 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -1.584 -23.871 19.750 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -2.224 -23.621 19.080 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -1.604 -24.821 19.760 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 -10.575 17.541 14.229 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 -10.155 17.321 15.059 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 -10.815 18.471 14.319 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 -12.600 6.524 -0.916 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 -11.870 5.914 -0.866 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 -12.450 7.134 -0.186 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -8.511 -6.793 -20.393 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -8.121 -5.993 -20.053 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -8.991 -7.163 -19.653 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 10.131 7.155 1.913 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 9.521 6.425 2.063 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 9.571 7.915 1.753 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 5.845 16.144 23.525 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 6.265 15.624 24.215 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 5.095 15.624 23.265 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 -22.870 -4.272 24.321 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 -22.930 -3.322 24.431 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 -22.430 -4.572 25.111 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 4.418 8.530 -15.738 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 5.158 8.670 -15.138 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 4.178 9.410 -16.028 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 25.335 -0.811 11.565 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 24.655 -0.851 12.245 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 24.935 -1.231 10.805 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 7.498 -12.090 9.562 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 8.218 -12.000 8.942 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.298 -13.030 9.552 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 4.655 -15.413 6.009 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 4.665 -16.303 5.659 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 4.455 -14.863 5.249 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 7.359 0.011 21.943 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 7.809 0.041 21.093 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 7.419 -0.899 22.213 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 -19.629 -22.985 -14.104 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 -20.299 -23.445 -13.594 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 -20.099 -22.635 -14.854 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 -12.430 18.690 -21.052 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 -11.470 18.660 -20.992 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 -12.640 19.610 -21.162 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 -5.507 -17.873 14.641 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 -5.257 -17.603 15.521 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 -6.377 -17.503 14.501 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 7.966 5.528 1.852 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 7.646 4.758 2.312 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 7.216 6.128 1.852 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -2.846 -0.621 -10.458 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -2.626 -1.501 -10.138 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -3.646 -0.741 -10.978 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.534 -4.576 8.522 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 15.044 -4.646 9.322 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 14.814 -3.736 8.132 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 15.055 6.371 -6.041 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 15.295 5.511 -6.381 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 15.065 6.941 -6.811 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 4.561 -16.927 -20.903 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 3.711 -16.627 -21.203 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 4.761 -17.687 -21.453 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 6.387 -8.744 7.802 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 7.087 -8.584 7.162 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 5.847 -7.954 7.772 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -22.402 -4.719 -20.801 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -22.792 -4.839 -19.931 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -21.562 -5.179 -20.741 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 18.078 -24.286 -15.398 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 17.918 -24.646 -14.528 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 18.108 -25.046 -15.978 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 16.245 10.115 20.442 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 17.165 10.035 20.202 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 15.785 10.225 19.602 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 -12.002 23.465 -8.988 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 -11.452 23.375 -8.208 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 -11.442 23.935 -9.618 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 3.899 -22.465 -4.200 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 3.199 -22.585 -3.560 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 3.859 -21.535 -4.430 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 6.520 -16.218 -4.140 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 7.310 -15.918 -3.700 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 6.550 -15.798 -5.000 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -15.906 -24.888 2.281 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -15.386 -25.208 3.021 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -15.516 -24.038 2.061 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -8.977 -7.970 -12.395 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -8.657 -8.290 -11.545 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -9.817 -7.560 -12.185 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 12.741 2.015 -15.227 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 12.251 2.785 -15.527 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 13.301 1.785 -15.957 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 16.030 15.027 -11.891 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 15.130 15.317 -12.061 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 15.930 14.197 -11.421 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 12.378 -15.900 -16.854 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 12.688 -16.530 -16.204 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 11.638 -15.460 -16.424 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 18.689 2.960 -8.685 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 19.039 3.710 -9.155 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 19.349 2.280 -8.785 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 0.515 21.950 7.010 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 0.365 22.570 7.720 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 0.465 22.480 6.210 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -14.712 -13.349 -22.782 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -14.142 -12.879 -22.182 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -15.142 -14.019 -22.242 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 7.944 17.765 3.052 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 7.114 17.295 2.962 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 7.814 18.325 3.812 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 22.383 -22.827 11.772 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 22.033 -22.537 12.612 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 22.413 -23.777 11.842 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 13.313 -6.157 23.337 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 13.543 -6.847 23.967 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 13.673 -5.357 23.717 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 24.181 10.728 11.092 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 25.061 10.978 10.802 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 23.691 10.618 10.272 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 -21.157 -13.617 -2.178 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 -20.527 -12.937 -1.938 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 -21.037 -13.727 -3.118 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -14.573 -22.122 -16.973 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -13.883 -22.672 -16.593 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -14.953 -22.652 -17.673 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 15.188 -12.635 13.135 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 15.948 -12.065 13.095 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 14.438 -12.045 13.165 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 -5.989 23.005 -8.406 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 -6.409 22.275 -8.856 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 -5.049 22.885 -8.586 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -21.487 24.798 -22.837 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -21.637 25.008 -21.917 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -22.277 24.338 -23.117 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 15.533 1.265 15.715 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 16.123 0.835 15.095 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 15.933 2.115 15.875 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 13.811 23.138 7.099 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 13.561 23.958 7.519 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 13.521 22.458 7.699 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -8.452 -5.611 24.052 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -8.932 -6.341 23.642 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -8.862 -5.511 24.912 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -7.416 19.723 24.169 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -6.786 19.113 24.569 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -7.816 19.223 23.459 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 10.640 17.770 -17.650 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 10.920 17.690 -18.560 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 10.920 18.650 -17.380 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 1.936 16.539 -11.378 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 2.196 17.459 -11.328 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 2.236 16.259 -12.248 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -24.592 -3.155 -13.255 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -24.012 -3.615 -13.865 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -25.462 -3.515 -13.425 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 -23.746 17.943 -16.105 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 -24.016 18.743 -16.555 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 -22.826 18.093 -15.885 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 13.945 19.918 -7.380 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 14.495 19.128 -7.350 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 13.685 20.068 -6.470 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 14.148 6.588 -24.321 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 13.608 6.458 -23.541 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 13.678 6.128 -25.021 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 -17.561 25.043 -4.942 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 -18.431 25.433 -4.902 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 -17.481 24.543 -4.122 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 -19.060 2.025 -6.017 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 -19.540 1.355 -6.497 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 -19.290 2.845 -6.457 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -10.579 -22.528 0.887 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -11.289 -21.908 1.037 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -9.919 -22.298 1.537 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 14.165 -20.645 -22.030 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 13.575 -19.895 -22.110 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 13.665 -21.385 -22.370 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 5.659 15.691 -22.995 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 5.289 16.521 -22.685 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 6.599 15.801 -22.895 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 -12.960 -5.091 9.716 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 -12.900 -5.951 9.296 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 -12.190 -4.621 9.396 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 4.753 -2.438 12.135 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 3.973 -1.968 11.845 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 5.413 -1.748 12.255 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 12.229 23.372 12.609 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 12.489 22.662 12.019 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 12.909 23.402 13.279 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -4.537 14.500 24.233 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -3.887 15.200 24.303 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -5.127 14.640 24.963 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 5.549 0.259 9.303 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 4.869 0.859 9.623 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 5.479 0.309 8.353 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 7.383 13.268 17.761 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 7.723 14.158 17.771 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 8.133 12.718 17.541 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 24.560 -21.783 -17.673 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 24.850 -21.063 -18.233 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 24.920 -22.563 -18.093 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -17.553 -6.393 -8.510 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -18.153 -5.683 -8.720 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -17.943 -6.823 -7.750 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -18.761 10.180 -22.255 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -19.091 11.000 -21.875 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -17.941 10.430 -22.685 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 -18.075 0.421 -8.899 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 -17.485 0.291 -8.149 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 -18.605 -0.379 -8.919 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 14.950 5.585 -13.054 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 14.300 5.005 -12.664 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 15.460 5.015 -13.634 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -8.801 -13.430 6.729 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -8.861 -13.080 7.619 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -8.741 -12.660 6.169 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -2.511 -17.110 16.243 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -1.701 -17.420 15.823 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -2.871 -17.900 16.663 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 -24.665 -22.911 7.695 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 -24.745 -22.791 6.745 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 -24.615 -23.861 7.815 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 23.354 18.645 -19.315 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 22.884 18.785 -18.485 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 23.964 17.935 -19.115 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 -8.804 19.581 12.522 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 -9.504 18.991 12.232 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 -9.234 20.421 12.662 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 -2.014 2.060 15.295 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 -2.144 1.150 15.055 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 -1.224 2.060 15.835 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 22.638 21.143 19.142 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 23.588 21.113 18.992 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 22.418 22.073 19.062 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 -15.379 -1.177 -15.839 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 -15.809 -1.967 -16.169 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 -14.519 -1.187 -16.259 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -5.936 -3.377 24.429 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -5.096 -3.827 24.269 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -6.586 -3.937 23.989 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 -18.954 -1.448 -21.066 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 -18.734 -2.208 -20.516 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 -18.184 -1.308 -21.616 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 -11.377 -7.350 9.995 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 -11.187 -6.860 10.795 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 -10.777 -8.100 10.025 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -23.877 6.023 0.754 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -23.047 5.653 0.444 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -23.657 6.913 1.024 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -19.189 -14.744 1.162 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -19.769 -15.444 0.852 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -19.469 -14.574 2.062 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -2.117 19.398 -3.524 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -2.587 19.008 -2.784 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -1.437 19.948 -3.114 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 19.186 -15.201 7.549 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 19.906 -14.591 7.409 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 19.596 -16.061 7.529 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 0.385 24.852 -22.214 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 0.465 23.952 -21.874 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 1.045 25.342 -21.734 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 2.334 -15.286 2.011 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 1.974 -16.116 1.681 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 1.934 -15.186 2.871 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -2.974 -2.153 5.809 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -2.224 -2.753 5.799 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -3.274 -2.133 4.909 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -24.955 -19.568 22.218 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -25.565 -20.218 22.568 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -24.195 -19.608 22.798 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 18.704 25.145 22.661 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 18.794 24.225 22.391 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 17.964 25.135 23.281 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 23.608 19.633 -12.245 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 24.558 19.593 -12.185 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 23.418 20.573 -12.315 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 9.665 18.030 22.304 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 8.705 18.080 22.234 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 9.935 17.580 21.504 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 8.908 -7.517 -23.638 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 9.398 -7.497 -24.458 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 9.538 -7.217 -22.978 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 23.056 19.972 15.362 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 23.956 20.022 15.062 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 23.076 19.342 16.082 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 12.345 20.340 -4.567 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 12.375 19.610 -5.187 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 13.035 20.150 -3.927 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 -18.195 14.804 11.769 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 -17.955 14.104 12.379 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 -19.155 14.834 11.809 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 10.108 20.075 -23.594 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 10.608 20.865 -23.804 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 9.328 20.125 -24.134 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -24.093 -20.782 -19.290 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -23.613 -20.502 -18.520 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -23.983 -21.732 -19.320 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 19.498 -11.527 22.387 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 19.658 -12.397 22.757 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 19.198 -10.997 23.117 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 8.063 -23.946 18.451 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 8.083 -23.106 18.911 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 8.893 -24.366 18.681 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 -6.660 -13.592 15.689 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 -6.020 -13.292 15.049 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 -7.400 -13.002 15.599 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 -16.009 21.151 -10.235 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 -16.889 20.821 -10.035 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 -15.649 21.391 -9.375 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 -10.291 13.197 12.961 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 -9.531 13.467 13.461 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 -10.661 14.017 12.621 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 -12.141 20.220 14.331 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 -12.121 20.220 15.291 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 -13.071 20.270 14.111 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 -17.665 20.355 -3.126 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 -17.625 20.235 -4.076 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 -16.825 20.765 -2.906 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -6.543 -4.560 -20.546 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -5.603 -4.350 -20.496 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -6.933 -4.040 -19.846 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 24.895 1.508 -22.063 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 25.405 2.298 -21.883 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 24.095 1.628 -21.563 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -12.094 -20.138 1.559 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -13.024 -20.058 1.389 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -11.974 -19.768 2.439 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 2.723 24.148 -7.595 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 2.743 25.068 -7.325 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 1.803 23.968 -7.765 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -2.706 4.373 -17.078 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -2.846 3.423 -17.088 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -1.976 4.513 -17.678 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 21.398 11.857 -19.763 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 21.018 12.267 -18.983 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 21.048 10.967 -19.773 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -23.921 15.449 -10.027 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -24.671 15.549 -9.437 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -23.191 15.849 -9.547 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 -15.961 14.435 -18.878 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 -15.021 14.285 -18.948 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 -16.311 13.605 -18.548 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 -0.957 -5.425 -12.790 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 -0.687 -4.605 -13.200 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 -0.287 -6.065 -13.050 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -6.169 -14.933 -24.353 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -6.649 -14.193 -24.723 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -5.529 -15.163 -25.023 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -23.725 -11.110 3.135 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -23.525 -11.610 2.345 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -24.095 -11.740 3.745 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -0.496 15.564 -11.919 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -1.346 15.544 -11.479 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 0.054 16.114 -11.359 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 4.589 7.107 -20.613 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 3.989 7.787 -20.303 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 5.329 7.597 -20.973 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 6.446 -1.928 -19.948 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 7.166 -1.318 -20.088 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 6.616 -2.318 -19.078 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 8.754 -8.544 17.112 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 8.044 -8.394 16.482 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 8.924 -9.484 17.072 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 -15.716 5.135 19.031 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 -15.416 5.535 18.221 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 -15.846 5.875 19.631 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 5.330 -24.875 13.139 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 5.790 -25.095 13.949 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 5.130 -25.725 12.749 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 4.566 5.377 -7.720 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 4.346 4.497 -7.400 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.826 5.617 -8.270 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -7.721 -4.209 20.689 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -8.671 -4.149 20.599 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -7.571 -4.179 21.639 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 19.799 -18.077 5.892 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 19.599 -18.967 6.182 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 19.039 -17.827 5.372 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 23.875 4.000 -12.908 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 23.785 4.880 -12.558 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 23.995 3.440 -12.138 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 17.485 -3.256 3.788 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 16.885 -2.536 3.598 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 17.035 -3.766 4.458 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 15.634 5.609 17.103 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 14.794 5.349 16.733 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 16.174 5.839 16.343 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 25.035 9.228 -21.937 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 24.155 8.928 -22.147 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 24.905 9.888 -21.257 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 -14.989 -14.042 -6.641 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 -14.469 -13.312 -6.971 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 -15.869 -13.682 -6.551 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 -3.506 -15.757 -15.065 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 -2.716 -16.297 -15.115 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 -4.166 -16.337 -14.675 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 17.067 -7.384 10.861 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 17.287 -8.264 10.561 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 17.717 -7.194 11.541 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -5.120 -7.081 -4.963 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -4.610 -6.481 -5.493 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -4.740 -7.941 -5.143 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -22.910 19.231 16.385 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -22.250 19.231 15.695 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -22.440 18.911 17.155 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 8.458 -11.062 -5.219 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 7.758 -10.552 -5.629 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 8.358 -10.912 -4.279 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 21.851 -22.341 -19.371 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 22.781 -22.371 -19.161 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 21.441 -22.921 -18.721 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 -17.980 3.190 18.399 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 -18.760 3.740 18.479 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 -17.250 3.770 18.649 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 12.274 5.680 23.826 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 12.214 5.090 23.076 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 11.374 5.960 23.986 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -10.004 -21.798 -22.834 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -10.934 -21.798 -23.024 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -9.954 -21.758 -21.874 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -14.375 15.509 -8.162 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -13.485 15.409 -7.832 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -14.865 14.789 -7.752 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 0.051 4.463 -14.384 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 0.601 3.693 -14.224 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -0.039 4.503 -15.334 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 1.019 0.663 19.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 0.919 1.553 19.771 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 0.309 0.573 18.791 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 17.561 14.442 -18.741 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 16.751 14.942 -18.841 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 18.131 15.012 -18.231 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 9.591 -1.851 -1.488 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 9.531 -2.631 -0.938 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 10.461 -1.481 -1.308 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 19.703 -0.765 -3.943 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 19.313 -1.175 -3.173 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 20.133 0.015 -3.613 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -23.879 7.922 23.809 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -23.479 7.052 23.849 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -23.989 8.182 24.719 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -10.745 17.885 -5.572 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -11.465 17.475 -5.082 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -9.955 17.625 -5.092 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -8.054 4.400 -14.243 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -8.684 4.680 -13.583 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -7.384 5.080 -14.243 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 -11.627 -13.231 8.112 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 -12.317 -13.661 8.612 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 -10.847 -13.761 8.252 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -8.677 -18.850 -0.819 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -7.997 -19.270 -0.289 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -9.497 -19.270 -0.539 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -3.734 -12.971 -4.178 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -3.524 -12.331 -3.498 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -2.884 -13.271 -4.488 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 -18.175 19.668 1.592 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 -17.285 19.348 1.732 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 -18.235 19.818 0.652 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 13.734 2.174 13.993 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 14.514 1.924 14.493 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 13.174 2.604 14.633 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -5.266 19.307 4.472 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -4.766 19.417 3.662 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -5.376 18.367 4.552 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -15.949 1.498 -23.478 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -16.579 1.308 -22.778 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -16.269 0.998 -24.228 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 14.618 -8.067 20.419 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 15.408 -7.787 20.879 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 14.028 -7.317 20.489 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -16.417 -1.249 -21.910 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -16.297 -1.679 -22.760 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -15.747 -1.629 -21.350 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 2.957 -15.915 19.223 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 3.877 -15.875 19.493 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 2.637 -16.745 19.573 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 -10.462 16.824 -11.641 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 -10.282 17.374 -12.401 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 -9.732 16.214 -11.611 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 23.231 16.440 2.015 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 23.871 15.900 2.485 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 23.531 16.450 1.105 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 18.471 1.277 -5.286 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 17.591 1.157 -5.656 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 18.731 0.397 -5.006 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 9.647 -7.590 -17.361 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 10.017 -6.970 -16.721 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 9.707 -8.440 -16.931 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 17.226 3.342 17.036 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 16.966 4.262 16.976 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 17.666 3.272 17.886 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -6.063 -5.014 5.623 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -5.123 -5.184 5.693 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -6.353 -5.544 4.883 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 -22.496 -20.247 -16.844 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 -21.956 -20.737 -17.464 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 -22.576 -20.827 -16.084 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 11.087 -20.020 3.784 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 11.157 -19.560 2.944 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 11.517 -20.860 3.634 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -14.153 10.584 -16.638 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -14.463 10.794 -15.758 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -14.943 10.334 -17.118 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 2.050 -1.600 11.916 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 1.770 -1.820 11.026 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 2.060 -0.650 11.936 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 10.824 -22.150 16.723 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 10.324 -21.950 17.513 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 11.524 -22.730 17.023 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 17.616 24.581 15.991 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 18.426 24.071 15.891 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 16.926 23.921 16.091 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 -8.854 -12.520 9.546 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 -8.674 -13.180 10.226 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 -9.424 -11.890 9.986 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 0.565 -20.057 -22.979 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 0.085 -19.917 -22.159 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 1.485 -20.067 -22.719 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 11.971 -6.075 10.810 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 12.921 -5.955 10.770 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 11.861 -7.005 10.990 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 -18.419 15.932 -7.989 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 -18.249 15.262 -8.649 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 -17.869 16.672 -8.229 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 17.057 -20.005 -2.991 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 16.267 -19.475 -3.091 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 16.727 -20.885 -2.781 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 -19.606 14.669 -5.937 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 -18.986 14.999 -6.587 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 -19.686 13.739 -6.137 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 -19.897 -19.625 15.722 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 -19.237 -20.175 16.152 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 -20.317 -19.155 16.442 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 9.984 -20.363 -19.980 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 9.734 -19.663 -20.590 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 9.254 -20.973 -20.000 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -3.755 19.738 14.243 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -4.015 19.348 15.073 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -4.565 19.808 13.743 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 16.036 13.595 -3.155 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 15.356 13.635 -3.825 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 16.306 14.505 -3.035 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -17.696 -12.971 -0.859 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -17.636 -12.271 -0.209 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -18.436 -13.501 -0.569 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 13.250 3.869 -17.598 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 13.430 4.809 -17.648 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 12.530 3.729 -18.208 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 7.295 -4.635 -2.002 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 7.115 -3.705 -2.082 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 6.445 -5.025 -1.792 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 9.545 -10.596 -18.611 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 9.945 -11.086 -19.321 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 8.725 -11.056 -18.431 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -13.424 -5.364 -7.701 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -14.014 -5.954 -8.171 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -13.664 -5.454 -6.781 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 1.467 -13.168 -2.947 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 1.407 -13.688 -2.137 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 1.647 -12.278 -2.647 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 -19.207 21.694 3.096 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 -18.877 20.964 2.576 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 -18.497 22.334 3.086 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 11.494 -12.926 17.442 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 12.064 -13.576 17.042 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 12.034 -12.146 17.522 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 11.051 24.105 -15.900 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 10.121 24.065 -16.130 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 11.081 24.625 -15.100 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -2.905 -13.477 -17.898 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.245 -14.207 -17.388 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -2.225 -13.087 -17.348 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -18.993 -19.675 20.781 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -18.843 -20.505 21.211 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -18.913 -19.025 21.481 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 -14.549 -4.739 14.620 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 -15.359 -4.719 14.120 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 -13.869 -4.479 14.000 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 12.995 9.313 -0.831 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 12.125 9.593 -1.111 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 12.915 8.363 -0.721 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 2.298 -8.720 -11.591 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 3.168 -8.470 -11.291 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 1.808 -8.920 -10.791 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 0.117 -8.759 -2.205 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 -0.613 -8.409 -2.715 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 0.737 -9.069 -2.855 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 2.364 -8.800 10.821 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 2.444 -9.710 10.551 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 1.624 -8.470 10.311 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 14.623 -10.515 9.539 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 15.473 -10.465 9.089 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 14.083 -11.065 8.979 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -12.685 16.449 24.512 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -12.405 16.919 23.722 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -13.355 15.829 24.192 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 11.935 -22.123 2.708 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 11.625 -22.663 1.978 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 12.005 -22.733 3.438 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 6.978 -21.606 -23.818 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 6.688 -20.976 -24.478 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 7.358 -21.066 -23.128 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 18.846 3.997 12.450 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 19.796 4.047 12.490 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 18.556 4.887 12.260 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -8.074 17.118 -13.534 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -8.594 17.178 -14.344 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -7.304 16.608 -13.784 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 2.075 10.708 14.956 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 2.955 10.728 15.326 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 2.175 10.298 14.096 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 24.193 -15.965 -23.572 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 23.913 -15.815 -24.472 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 23.423 -16.325 -23.142 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -2.313 4.640 18.650 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -2.693 4.990 17.850 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -2.343 3.690 18.550 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 4.758 12.688 18.950 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 4.428 13.578 19.110 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 5.648 12.828 18.620 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -10.607 24.051 -1.556 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -10.457 23.521 -0.776 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -10.927 24.891 -1.216 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 6.145 -17.796 22.926 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 5.245 -17.826 22.616 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 6.085 -17.426 23.806 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 6.821 -24.514 16.159 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 7.131 -24.244 17.019 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 7.171 -23.854 15.559 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 18.375 22.613 22.225 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 17.985 22.413 23.075 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 19.185 22.093 22.205 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 20.478 17.414 -13.268 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 21.368 17.304 -13.608 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 19.968 17.694 -14.028 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 -23.963 0.592 -10.268 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 -24.263 0.042 -9.548 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 -24.603 0.432 -10.968 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -5.915 4.275 2.482 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -4.975 4.405 2.612 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -6.315 5.085 2.802 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 -24.473 -20.209 0.891 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 -23.763 -20.029 0.271 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 -24.213 -21.019 1.321 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 -0.753 15.575 0.316 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 -1.553 15.065 0.396 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 -0.543 15.555 -0.624 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 23.193 -15.437 -1.924 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 23.373 -15.977 -1.164 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 23.703 -15.837 -2.634 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 5.954 -17.546 14.512 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 5.064 -17.206 14.492 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 6.504 -16.796 14.742 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 -5.206 22.569 18.311 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 -4.536 21.959 18.621 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 -5.846 22.609 19.021 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -20.389 17.844 -20.738 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -19.759 18.334 -21.268 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -20.039 17.914 -19.838 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 -7.870 -17.263 -21.782 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 -7.370 -16.493 -22.042 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -7.270 -17.753 -21.222 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 11.318 12.215 2.502 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 10.848 11.865 1.742 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 11.328 13.155 2.352 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -19.245 5.735 12.051 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -19.715 6.455 11.621 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -18.575 6.165 12.581 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -15.664 -23.271 -9.147 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -14.804 -23.651 -8.957 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -16.204 -23.551 -8.417 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 4.273 -3.518 -12.229 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 4.223 -4.368 -11.819 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 5.083 -3.128 -11.899 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 7.705 -20.871 20.777 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 7.025 -20.381 21.237 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 8.215 -20.201 20.317 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 5.146 24.608 17.511 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 4.806 24.018 16.831 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 5.936 24.988 17.121 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 -9.076 -8.098 -17.073 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 -9.536 -8.678 -16.463 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 -8.826 -7.338 -16.533 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 -9.957 17.250 -15.502 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 -10.397 18.050 -15.762 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 -9.877 16.740 -16.322 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -15.404 -12.337 4.776 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -15.064 -13.087 4.276 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -16.314 -12.267 4.506 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 15.891 -15.792 -7.405 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 15.381 -15.692 -8.205 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 15.381 -15.322 -6.745 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -11.723 -17.494 3.051 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -12.163 -17.704 2.221 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -12.403 -17.604 3.711 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 2.036 -5.092 22.149 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 2.386 -4.282 22.529 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 2.746 -5.732 22.259 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 -6.360 -13.728 -13.399 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 -5.770 -13.558 -12.659 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 -6.340 -14.678 -13.509 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 -0.417 19.131 7.865 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 0.003 18.431 7.355 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 0.143 19.891 7.725 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 -20.654 22.220 -22.944 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 -20.644 22.320 -23.894 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 -21.044 23.040 -22.624 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 23.640 5.702 -15.949 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 22.700 5.752 -15.769 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 23.760 6.212 -16.749 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 14.346 -13.449 17.859 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 13.806 -13.309 18.629 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 15.046 -12.799 17.929 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 7.097 19.104 -17.948 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 6.917 18.604 -18.738 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 6.447 19.804 -17.948 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -0.666 -14.858 -9.069 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -1.546 -14.628 -9.379 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -0.726 -15.788 -8.859 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 14.091 -21.175 0.732 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 14.991 -21.005 0.992 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 13.641 -21.405 1.542 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -11.174 -19.335 -7.721 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -10.804 -20.015 -7.161 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -11.814 -19.795 -8.271 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -24.265 17.779 1.660 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -23.395 17.379 1.710 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -24.865 17.049 1.760 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -12.113 -13.138 16.871 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -12.543 -12.278 16.871 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -12.833 -13.768 16.781 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 13.321 -10.399 18.256 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 13.091 -11.059 18.906 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 12.731 -9.659 18.436 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 1.813 9.146 -11.901 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.453 8.726 -11.311 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 2.293 9.876 -12.281 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 -24.687 -18.226 -23.075 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 -25.267 -17.566 -23.455 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 -24.167 -17.736 -22.435 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 -7.873 7.510 5.412 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 -8.793 7.490 5.682 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 -7.693 8.430 5.212 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 15.963 -24.560 20.479 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 15.633 -24.040 19.739 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 16.893 -24.680 20.289 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -17.653 -11.235 -13.414 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -18.463 -10.855 -13.054 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -17.133 -11.465 -12.644 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -20.429 24.671 -11.150 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -19.649 24.281 -11.540 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -20.109 25.101 -10.350 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 6.658 -9.821 20.222 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 6.868 -10.761 20.152 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 7.318 -9.471 20.812 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -13.617 -19.352 -22.527 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -14.417 -19.602 -22.067 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -12.907 -19.642 -21.957 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 1.955 1.543 11.921 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 2.065 1.993 12.761 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 1.125 1.873 11.581 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -12.102 -24.871 0.221 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -12.552 -24.151 -0.219 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -11.472 -24.431 0.811 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -1.859 23.620 -7.071 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -1.149 24.210 -7.331 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -2.159 23.230 -7.891 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 7.537 0.343 -17.780 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 7.627 0.953 -18.520 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 8.317 0.493 -17.250 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -14.848 15.993 -23.658 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -14.257 16.013 -22.908 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -15.598 15.483 -23.348 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 -2.507 10.510 -13.064 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 -1.977 9.960 -12.494 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 -1.927 11.240 -13.294 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 -10.692 -20.145 3.779 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 -10.612 -19.355 4.309 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 -9.952 -20.095 3.169 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 1.891 -6.830 14.117 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 0.981 -6.740 13.827 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 1.911 -6.410 14.977 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -12.872 -23.711 -11.710 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -12.672 -23.111 -11.000 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -12.092 -24.271 -11.790 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.647 5.682 -0.285 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 20.727 5.522 -0.485 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.747 6.632 -0.355 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 18.189 -20.935 3.123 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 17.269 -20.915 3.393 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 18.169 -20.815 2.183 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -10.172 20.495 21.175 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -9.812 19.755 21.665 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -9.822 20.385 20.295 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 8.839 5.547 -1.157 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 8.469 4.877 -1.737 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 8.689 6.377 -1.617 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 3.904 -18.335 -18.051 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 3.974 -17.455 -18.411 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 3.034 -18.635 -18.301 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 18.748 -14.514 13.487 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 18.488 -15.284 13.987 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 18.018 -14.364 12.887 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 -18.445 -11.441 -23.805 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 -17.585 -11.531 -24.205 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 -18.495 -10.511 -23.555 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 10.194 -11.662 -15.476 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 9.704 -11.132 -16.106 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 9.524 -11.972 -14.866 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 -12.199 7.924 10.735 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 -12.999 8.394 10.965 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 -12.359 7.024 10.995 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -17.517 -0.643 -18.538 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -17.947 -0.623 -19.398 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -18.177 -1.023 -17.948 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.587 19.996 11.541 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.437 20.396 10.681 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.337 20.466 11.891 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 2.166 -1.502 23.994 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 2.736 -2.042 23.454 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 1.926 -0.762 23.434 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 -8.714 24.118 3.297 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 -8.514 23.208 3.537 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 -9.544 24.298 3.727 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 13.815 17.731 -9.266 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 13.875 18.511 -9.826 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 12.885 17.651 -9.066 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -0.907 -11.737 8.309 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -1.317 -10.907 8.049 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 0.003 -11.507 8.489 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -6.810 19.892 -7.155 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -6.710 20.512 -7.885 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -7.720 20.002 -6.865 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 -2.454 -22.580 1.969 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 -2.564 -22.130 2.799 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 -2.044 -21.930 1.399 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 -23.817 8.709 11.666 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 -23.417 9.249 10.976 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 -23.107 8.159 11.986 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 -18.554 16.955 -23.788 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 -18.464 16.355 -23.048 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 -17.814 16.755 -24.358 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 0.413 17.701 21.398 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 0.823 17.191 20.698 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 0.593 18.611 21.158 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 16.367 -18.175 6.120 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 16.627 -17.415 6.640 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 16.747 -18.925 6.580 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 -9.997 -21.929 -8.169 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 -9.787 -21.459 -7.359 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 -9.277 -22.559 -8.269 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 10.520 -3.719 21.846 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 10.240 -3.299 22.666 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 10.490 -3.029 21.196 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -6.881 -16.303 16.698 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -6.481 -15.433 16.628 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -7.781 -16.123 16.948 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 16.064 -24.217 -11.370 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 16.984 -24.067 -11.170 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 15.944 -23.887 -12.260 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 -2.330 -0.266 -4.708 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 -2.990 0.114 -5.288 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 -1.590 -0.466 -5.278 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -19.450 15.876 -13.214 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -19.080 16.726 -12.974 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -19.760 15.996 -14.114 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -11.693 -1.797 3.151 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -11.763 -2.417 2.431 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -10.783 -1.497 3.121 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -10.582 -3.395 -12.458 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -11.122 -3.445 -11.668 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -9.772 -2.975 -12.168 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 23.475 2.367 8.177 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 23.925 1.787 7.557 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 24.125 2.507 8.867 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 18.403 4.872 22.189 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 17.913 5.422 22.809 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 19.323 5.082 22.359 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -3.922 -16.101 -10.141 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -4.762 -16.551 -10.211 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -3.312 -16.781 -9.871 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 -24.531 2.123 22.616 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 -25.171 2.823 22.476 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 -23.911 2.483 23.246 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 12.248 -3.516 12.649 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 11.948 -4.256 12.129 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 11.928 -2.746 12.169 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 6.376 -20.776 5.065 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 7.266 -21.036 5.295 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 5.866 -20.926 5.865 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 -14.243 8.061 23.295 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 -13.463 7.751 23.745 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 -13.933 8.341 22.425 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 12.474 0.251 -18.446 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 12.734 -0.559 -18.866 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 13.064 0.921 -18.786 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 1.951 6.535 1.283 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 2.261 6.305 0.403 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 2.591 6.125 1.873 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 -18.173 -4.394 -6.528 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 -17.753 -4.334 -5.668 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 -18.863 -5.044 -6.418 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 17.326 23.490 -15.211 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 16.616 23.380 -14.571 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 17.746 22.630 -15.241 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -10.504 -16.895 -22.395 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -9.564 -16.855 -22.205 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -10.744 -15.995 -22.625 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 1.185 -14.451 -0.499 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 1.385 -14.641 0.421 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 0.325 -14.041 -0.469 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 -3.114 -9.764 -19.271 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 -3.204 -9.224 -20.061 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 -2.414 -10.384 -19.491 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -9.486 16.660 3.307 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -10.246 16.200 2.947 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -9.086 17.080 2.547 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 11.949 17.575 16.076 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 11.019 17.405 16.206 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 12.039 18.525 16.166 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 11.975 -6.463 -2.328 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 12.085 -7.413 -2.318 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 11.405 -6.283 -1.578 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 -2.745 -0.222 -24.771 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 -2.825 0.528 -25.371 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 -3.645 -0.522 -24.651 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 -8.952 -19.609 16.549 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 -9.662 -20.239 16.679 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 -9.332 -18.769 16.799 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -24.032 -21.747 -6.363 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -23.932 -22.657 -6.673 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -23.502 -21.237 -6.973 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 -1.703 5.761 11.702 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 -1.643 6.301 12.492 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 -1.563 4.861 12.012 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 8.123 0.857 -20.622 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 7.693 0.797 -21.482 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 8.913 0.337 -20.722 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 7.121 -10.075 0.289 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 7.721 -10.825 0.239 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 6.831 -10.055 1.199 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 -1.135 -15.319 -22.863 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 -2.005 -15.719 -22.883 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 -1.135 -14.709 -23.603 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -6.786 4.970 23.829 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -5.836 4.930 23.719 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -7.106 5.310 22.999 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 -3.476 10.101 13.929 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 -3.046 10.721 13.339 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 -2.886 10.041 14.679 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 -1.943 23.875 19.068 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 -1.273 23.455 19.608 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 -2.773 23.605 19.468 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -4.145 -21.758 -13.034 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -3.705 -22.558 -12.734 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -3.575 -21.428 -13.734 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 20.310 13.540 -8.431 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 19.940 13.070 -7.681 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 20.330 14.450 -8.151 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 20.384 5.198 -9.811 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 21.304 5.178 -10.081 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 20.184 6.118 -9.691 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.285 -21.077 11.655 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.845 -20.917 12.415 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 5.775 -21.677 11.105 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 24.860 -10.216 -18.821 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 24.100 -9.696 -19.121 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 24.980 -10.876 -19.511 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 13.045 22.142 -16.201 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 12.205 22.572 -16.361 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 13.345 22.502 -15.361 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 15.195 10.206 15.634 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 14.405 9.676 15.594 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 15.585 10.126 14.764 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -20.525 13.491 13.462 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -20.285 12.581 13.632 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -21.395 13.591 13.862 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -23.466 -3.940 -10.850 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -23.666 -3.340 -11.570 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -23.176 -4.740 -11.290 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -20.005 -2.635 -14.925 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -19.585 -2.005 -14.345 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -20.575 -3.155 -14.355 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 16.804 17.369 8.592 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 17.364 17.779 7.942 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 17.184 17.629 9.432 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -13.955 -22.377 -0.538 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -14.685 -22.467 0.072 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -14.225 -21.697 -1.148 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 7.333 23.933 -21.333 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 7.133 23.603 -20.463 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 7.203 24.873 -21.273 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 -11.972 -17.022 -2.101 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 -12.472 -17.432 -2.801 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 -11.132 -16.802 -2.501 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 5.909 13.487 15.000 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 5.639 12.907 15.720 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 6.809 13.737 15.230 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -9.061 13.329 3.475 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -9.781 13.789 3.045 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -8.331 13.959 3.455 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 -2.757 -19.585 17.672 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 -1.877 -19.845 17.402 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 -2.657 -19.285 18.572 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -18.212 -17.368 -15.885 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -18.492 -18.078 -15.305 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -17.782 -16.738 -15.295 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 2.034 5.670 20.037 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.234 5.870 19.567 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 1.764 5.560 20.947 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 -8.369 -22.007 2.631 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 -8.319 -22.317 3.531 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 -7.679 -21.347 2.561 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 16.296 -13.345 -16.660 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 16.846 -12.685 -16.240 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 16.906 -13.985 -17.030 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 -7.506 16.207 -1.836 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 -8.076 16.947 -2.046 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 -6.776 16.297 -2.446 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -22.325 -5.610 11.361 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -22.865 -5.970 10.661 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -22.945 -5.280 12.001 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -13.553 1.441 -6.816 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -13.393 0.871 -6.056 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -13.183 2.281 -6.566 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 -8.512 6.551 18.331 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 -9.272 6.821 17.821 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 -8.362 5.651 18.081 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 -9.219 6.298 -20.214 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 -8.289 6.528 -20.184 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 -9.299 5.588 -19.584 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 -22.160 -15.213 -13.693 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 -22.000 -14.323 -13.393 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 -22.020 -15.173 -14.643 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -19.629 8.112 7.302 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -19.279 8.722 6.642 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -20.519 8.422 7.462 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -6.615 -13.932 -9.141 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -5.795 -14.292 -9.481 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -6.405 -13.032 -8.881 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -1.709 -19.768 -13.584 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -0.989 -19.378 -13.094 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -1.399 -19.798 -14.484 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 21.838 25.387 -21.728 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 21.128 25.767 -21.228 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 21.498 24.557 -22.048 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 -17.471 23.449 19.086 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 -16.651 23.149 18.696 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 -17.851 24.029 18.416 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 13.983 12.898 -5.317 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 13.243 12.418 -5.687 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 14.303 12.338 -4.607 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -8.269 -15.081 10.704 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -7.519 -15.501 11.124 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -8.939 -15.061 11.394 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 -4.285 -24.819 1.997 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 -5.105 -24.349 1.907 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 -3.625 -24.209 1.667 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 1.191 -20.387 -13.975 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 1.301 -19.507 -14.355 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 1.621 -20.327 -13.115 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -24.267 15.090 2.372 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -23.457 15.230 2.852 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -24.307 14.140 2.242 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -14.497 23.947 -3.414 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -15.017 24.497 -4.004 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -14.497 24.427 -2.584 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 -2.442 -23.890 -17.020 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 -1.712 -23.530 -16.510 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 -3.012 -24.290 -16.360 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 15.124 -24.026 0.011 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 14.274 -24.346 0.311 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 15.674 -24.036 0.791 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 -21.899 16.780 4.560 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 -21.769 17.620 4.110 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 -21.809 16.990 5.490 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 2.816 11.492 -24.241 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 2.176 12.172 -24.451 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 2.946 11.022 -25.061 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 -20.105 19.805 -14.873 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 -19.365 20.335 -14.583 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 -19.715 19.165 -15.483 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 -11.736 -4.672 -21.811 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 -12.186 -3.822 -21.821 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 -10.906 -4.492 -21.361 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 -4.627 17.899 -6.623 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 -5.197 18.609 -6.923 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 -3.757 18.159 -6.913 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 24.748 4.802 13.101 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 24.208 5.382 13.651 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 24.128 4.172 12.731 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 -8.409 -15.020 20.621 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 -8.289 -14.930 19.671 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 -7.549 -14.840 21.001 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 5.157 -20.624 22.272 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 4.557 -19.914 22.492 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 4.587 -21.384 22.142 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 13.671 -8.233 10.811 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 14.601 -8.083 10.691 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 13.461 -8.943 10.201 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 -24.522 -6.913 8.321 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 -24.732 -6.583 7.451 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 -23.632 -6.603 8.491 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 1.161 -9.900 -24.695 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 0.511 -9.230 -24.915 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 1.591 -9.560 -23.905 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 19.096 19.830 -0.578 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 19.516 19.210 0.022 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 18.866 20.580 -0.028 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 -1.113 -21.735 -21.354 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 -1.023 -21.655 -22.304 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 -1.183 -22.685 -21.204 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 18.005 1.775 10.076 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 18.605 1.285 9.516 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 18.565 2.205 10.726 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -16.299 -13.826 23.696 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -15.889 -14.676 23.496 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -15.999 -13.636 24.586 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 16.828 -5.360 6.221 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 16.598 -5.850 7.011 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 17.068 -6.030 5.581 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 1.324 13.380 -11.369 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 1.024 14.210 -11.729 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 2.264 13.510 -11.229 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -22.449 16.022 -17.971 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -21.589 16.422 -18.081 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -22.929 16.622 -17.401 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -22.466 -0.613 7.647 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -21.886 -0.313 6.937 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -21.956 -1.303 8.087 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 -6.635 -20.005 -12.988 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 -5.945 -20.605 -13.278 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 -6.705 -19.355 -13.688 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 -7.434 -20.070 -22.735 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 -7.704 -19.200 -23.015 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 -6.944 -20.430 -23.475 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 -2.055 -10.941 12.384 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 -1.305 -10.371 12.554 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 -1.785 -11.801 12.704 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -12.259 -21.395 -19.478 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -12.289 -20.475 -19.228 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -12.529 -21.865 -18.678 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -14.274 13.038 -23.005 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -13.824 12.228 -23.225 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -14.094 13.628 -23.735 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -20.655 18.098 -24.950 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -20.965 18.558 -24.170 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -19.965 17.518 -24.640 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 -0.375 -21.465 4.566 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 -0.915 -22.215 4.836 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 0.415 -21.865 4.216 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 13.997 3.422 3.599 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 14.357 3.522 2.719 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 14.757 3.322 4.159 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 11.120 -17.221 -9.455 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 10.640 -18.041 -9.495 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 12.040 -17.481 -9.385 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 4.303 -17.102 -10.637 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 5.043 -17.102 -11.247 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 4.443 -16.312 -10.107 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 -1.096 9.381 -10.948 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 -0.336 9.121 -11.468 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 -0.876 9.141 -10.048 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -1.529 -2.790 -24.295 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -1.649 -1.860 -24.485 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -0.609 -2.960 -24.495 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 -22.314 -10.696 17.811 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 -22.814 -10.226 17.141 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 -21.834 -10.006 18.271 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 -11.965 -0.910 -12.491 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 -12.545 -1.160 -11.771 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 -11.515 -1.730 -12.721 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 11.427 6.427 -7.609 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 10.517 6.507 -7.309 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 11.827 7.257 -7.369 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 9.230 15.765 17.262 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 8.790 16.405 16.702 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 9.870 15.345 16.692 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -23.662 7.983 18.415 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -22.872 8.063 18.945 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -23.362 7.513 17.625 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 14.545 -11.927 -23.023 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 14.175 -12.807 -22.933 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 14.655 -11.807 -23.963 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -19.069 -4.671 -1.417 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -19.669 -4.151 -0.887 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -18.959 -5.491 -0.917 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 -14.194 22.705 22.742 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 -14.794 23.445 22.752 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 -13.884 22.625 23.642 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 -9.433 -20.550 8.375 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 -9.673 -19.850 7.765 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 -9.033 -20.100 9.115 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 -4.066 -9.270 18.620 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 -3.266 -9.660 18.260 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 -3.776 -8.790 19.400 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 23.013 -6.499 -0.878 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 23.663 -5.819 -0.698 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 23.053 -7.079 -0.118 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 21.661 0.186 6.097 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 21.661 -0.324 6.907 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 20.821 0.656 6.107 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 9.823 6.482 13.455 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 9.403 5.872 14.065 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 9.303 7.292 13.545 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 7.823 -3.272 14.162 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 7.143 -2.972 14.752 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 8.353 -3.872 14.692 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 -16.907 -16.605 7.151 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 -16.567 -15.915 6.581 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 -16.697 -16.305 8.031 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 23.697 8.062 20.009 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 23.697 9.012 20.099 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 24.027 7.902 19.129 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 -16.784 12.044 -5.295 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -16.564 11.894 -4.375 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 -17.584 11.534 -5.435 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -22.755 13.772 7.933 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -23.345 14.492 7.703 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -22.645 13.842 8.873 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 12.493 -19.485 -2.854 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 12.403 -18.775 -2.224 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 12.143 -20.255 -2.394 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -5.033 -3.922 13.443 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -4.433 -3.402 13.983 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -5.793 -4.072 13.993 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 -6.252 15.159 -14.827 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 -5.312 15.119 -14.617 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 -6.492 14.259 -15.037 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 8.019 -22.400 -12.894 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 8.939 -22.270 -13.134 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 7.709 -23.080 -13.494 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 3.599 -25.025 -22.027 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 4.479 -24.645 -22.067 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 3.089 -24.525 -22.657 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 -17.980 3.589 7.720 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 -17.480 3.309 8.490 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 -17.310 3.819 7.080 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 3.016 23.202 -15.421 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 3.806 23.672 -15.141 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 3.296 22.712 -16.201 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 16.880 16.081 -21.814 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 16.330 16.321 -21.064 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 17.380 16.871 -22.004 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 20.587 -18.935 -10.635 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 21.087 -19.485 -10.025 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 21.267 -18.475 -11.145 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 18.907 -18.749 23.613 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 17.957 -18.879 23.633 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 19.277 -19.629 23.723 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 7.984 -24.472 12.240 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 8.654 -24.062 12.790 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 7.564 -25.122 12.810 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 -12.123 4.021 -12.416 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 -12.873 3.491 -12.146 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 -12.453 4.911 -12.426 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 -23.237 -4.364 -8.203 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 -24.077 -3.914 -8.113 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 -22.907 -4.074 -9.053 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 14.078 8.430 11.075 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 13.338 7.900 11.365 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 14.848 7.970 11.405 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 23.056 10.609 25.102 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 23.486 10.109 24.412 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 22.796 9.949 25.752 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 -14.536 9.678 -6.083 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 -14.066 9.558 -5.253 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 -15.316 10.178 -5.843 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -15.203 17.523 15.195 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -14.413 16.983 15.295 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -15.893 16.903 14.975 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -11.381 5.810 20.859 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -11.331 6.660 21.299 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -12.271 5.520 21.009 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 1.446 -14.744 -10.788 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 0.786 -14.904 -10.118 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 1.016 -14.144 -11.408 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 -20.676 -1.361 20.096 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 -21.096 -0.631 20.556 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 -21.026 -1.311 19.206 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 3.974 23.135 -10.105 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 3.644 23.165 -9.205 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 4.024 24.055 -10.375 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 -22.026 7.387 -12.338 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 -21.096 7.517 -12.108 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 -22.286 8.217 -12.738 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -14.266 -2.645 -24.785 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -14.476 -2.625 -25.725 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -14.096 -3.565 -24.605 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 -11.415 18.995 -1.538 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 -11.355 18.455 -2.318 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 -11.475 18.375 -0.818 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -20.134 -22.982 1.067 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -20.524 -22.712 1.897 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -19.964 -22.162 0.597 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 4.599 -14.529 -11.950 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 3.989 -14.749 -11.250 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 4.209 -14.899 -12.740 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 2.447 0.901 -0.884 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 3.117 1.501 -1.214 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 1.727 1.471 -0.624 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 16.176 -5.249 19.629 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 16.526 -5.029 18.769 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 15.496 -4.589 19.789 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -7.766 21.155 -14.599 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -7.146 21.885 -14.569 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -7.226 20.385 -14.739 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 -2.657 8.033 -6.532 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 -2.217 8.643 -5.932 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 -3.567 8.343 -6.562 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 22.261 24.091 -10.838 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 21.662 24.771 -10.518 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 21.691 23.361 -11.078 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 11.369 2.378 -1.349 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 10.869 2.728 -0.609 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 12.139 2.938 -1.419 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 24.916 24.118 -11.658 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 24.046 24.488 -11.508 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 24.896 23.808 -12.558 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 12.527 -24.585 17.265 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 12.107 -24.995 18.025 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 12.167 -25.065 16.515 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 10.749 8.513 15.652 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 10.719 8.963 16.502 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 9.939 8.783 15.212 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 8.414 -23.996 -18.828 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 8.574 -23.376 -19.538 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 7.464 -24.096 -18.798 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 -18.402 -4.097 4.657 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 -19.232 -4.377 5.037 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 -18.092 -3.407 5.237 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 12.683 6.490 14.568 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 12.013 7.030 14.148 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 13.513 6.900 14.308 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 -13.471 24.067 -22.011 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 -12.911 24.427 -21.321 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 -13.601 23.157 -21.761 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 21.524 2.601 24.067 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 21.084 2.131 23.357 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 21.154 2.231 24.867 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 -17.777 14.872 20.971 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 -16.957 15.112 20.541 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 -17.747 15.302 21.821 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 8.415 16.888 -11.711 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 7.885 16.198 -12.121 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 7.835 17.648 -11.671 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 7.086 4.958 8.010 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 6.586 4.328 7.470 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 6.886 4.708 8.910 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -8.116 1.783 25.261 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -7.666 2.453 24.741 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -8.996 1.733 24.891 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 19.505 -7.758 18.473 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 19.025 -7.788 19.303 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 20.145 -8.458 18.533 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -11.910 14.665 -14.721 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -12.440 15.345 -14.301 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -12.540 14.085 -15.141 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 23.091 -6.486 19.163 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 22.821 -7.356 19.433 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 23.371 -6.066 19.983 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -22.529 6.830 21.289 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -22.649 7.520 21.939 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -21.889 6.230 21.689 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 -10.544 13.781 -22.142 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 -10.934 13.491 -22.962 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 -9.904 14.441 -22.392 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 11.193 18.147 -21.591 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 10.963 19.007 -21.951 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 12.013 17.917 -22.031 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 -7.391 7.249 -10.453 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 -7.011 7.379 -9.583 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 -7.821 8.079 -10.653 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 1.726 -7.731 -17.641 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 0.896 -7.291 -17.831 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 1.746 -7.801 -16.681 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 -5.802 12.361 -15.191 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 -6.392 11.811 -14.671 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 -5.422 11.761 -15.831 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 19.313 6.341 1.653 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 19.793 5.601 2.023 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 19.373 7.031 2.313 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 24.430 -25.243 -19.752 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 25.210 -24.733 -19.522 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 23.720 -24.603 -19.772 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 -1.707 2.110 -10.353 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 -2.267 1.340 -10.443 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 -1.717 2.520 -11.223 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 -23.521 -23.740 10.975 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 -22.821 -23.110 11.125 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 -23.561 -23.840 10.025 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 -18.741 20.945 -21.131 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 -19.011 20.705 -20.251 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -19.541 21.245 -21.561 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 18.320 -5.389 -1.499 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 18.420 -6.119 -2.119 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 17.570 -4.899 -1.829 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 -8.556 -24.502 -19.146 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 -8.236 -23.682 -18.786 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 -8.226 -24.522 -20.046 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -11.137 -18.939 -20.453 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -10.517 -18.469 -21.003 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -11.507 -18.269 -19.883 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 24.670 11.332 4.371 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 24.450 10.412 4.221 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 24.250 11.802 3.661 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -18.172 19.143 13.001 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -18.592 20.003 13.001 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -17.302 19.303 13.351 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 9.597 21.290 22.015 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 9.977 20.480 22.365 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 8.657 21.180 22.165 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -8.394 -23.070 5.061 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -9.274 -23.420 5.171 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -8.234 -22.570 5.861 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 11.277 -21.699 -8.209 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 12.047 -21.259 -7.849 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 11.587 -22.089 -9.029 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -16.997 -6.165 8.869 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -16.557 -5.875 8.059 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -16.287 -6.515 9.399 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -23.331 8.660 0.656 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -22.981 8.320 -0.174 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -22.791 9.430 0.836 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -5.286 22.483 15.504 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -5.616 21.583 15.564 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -5.186 22.763 16.414 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 22.478 -24.349 19.933 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 21.598 -24.639 20.153 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 22.898 -25.129 19.553 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 11.266 12.163 9.652 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 11.876 11.743 10.262 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 10.576 11.513 9.502 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 3.388 13.755 -5.359 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 3.648 13.045 -5.939 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 4.208 14.185 -5.109 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 17.006 -15.991 -24.254 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 17.576 -16.401 -23.604 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 16.646 -16.721 -24.754 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 4.335 24.898 -1.026 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 4.405 24.398 -1.836 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 4.615 24.288 -0.346 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 14.730 7.814 22.313 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 15.270 7.634 23.083 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 14.000 7.194 22.393 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 14.065 14.929 -15.911 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 13.745 14.159 -15.431 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 13.975 15.649 -15.291 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -2.872 24.668 14.612 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -3.822 24.758 14.642 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -2.692 24.358 13.722 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -2.377 21.374 17.409 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -1.907 21.964 17.999 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -2.757 21.954 16.749 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 18.661 -1.757 12.159 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 19.271 -1.057 11.959 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 19.091 -2.547 11.839 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -2.127 16.143 19.736 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -1.627 16.953 19.666 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -2.447 15.973 18.856 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 0.067 8.036 -0.336 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -0.123 8.546 0.454 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -0.743 7.566 -0.526 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 10.616 12.929 -0.496 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 10.966 13.799 -0.696 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 10.576 12.479 -1.346 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 11.913 16.572 -14.823 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 11.643 17.002 -15.633 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 11.113 16.482 -14.313 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 11.771 -1.730 -10.947 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 11.681 -0.780 -10.967 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 12.061 -1.970 -11.827 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 -13.944 19.231 -5.965 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 -14.084 18.761 -5.145 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 -14.544 18.831 -6.595 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 -3.763 -7.053 25.041 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 -3.813 -6.113 25.221 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 -3.563 -7.113 24.111 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 21.813 -5.187 2.156 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 21.743 -4.577 2.886 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 22.003 -4.627 1.396 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 5.258 -6.122 -1.334 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 4.428 -6.142 -0.854 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 5.798 -6.782 -0.904 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 12.676 0.871 -21.712 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 13.066 1.561 -22.252 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 12.766 0.071 -22.242 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 16.728 -19.022 -7.204 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 17.458 -19.272 -7.764 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 16.438 -18.182 -7.564 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 21.098 -18.118 -19.741 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 21.308 -18.278 -18.821 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 20.638 -18.908 -20.031 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 13.731 -12.911 -10.644 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 13.541 -12.001 -10.404 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 14.621 -13.061 -10.324 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 24.261 -7.762 -5.210 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 25.091 -8.222 -5.380 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 23.741 -8.382 -4.700 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 13.630 -14.111 3.399 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 13.040 -14.871 3.399 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 14.370 -14.401 2.869 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -11.566 -12.547 19.700 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -12.086 -12.847 18.950 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.126 -11.757 19.390 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -14.261 -21.321 18.258 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -13.781 -21.831 18.908 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -14.611 -20.571 18.738 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 20.593 -5.322 21.557 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 21.103 -4.582 21.887 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 19.763 -5.272 22.017 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 -18.885 10.059 -18.161 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 -19.105 9.129 -18.231 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 -19.405 10.369 -17.421 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -6.166 -13.245 -20.140 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -5.346 -13.115 -19.660 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -6.046 -12.755 -20.960 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 18.750 -15.851 -11.010 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 18.620 -15.321 -10.230 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 19.560 -16.341 -10.840 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 19.580 -10.584 12.677 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 19.640 -10.944 11.787 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 18.640 -10.514 12.837 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -0.804 -15.003 2.369 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -1.094 -15.123 3.279 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -1.514 -14.513 1.949 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 4.815 15.628 -19.935 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 4.725 14.698 -20.135 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 5.725 15.828 -20.155 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 20.071 8.977 20.653 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 20.171 9.587 21.373 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 20.601 9.347 19.943 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 4.014 -3.895 19.205 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 4.234 -3.475 20.035 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 3.884 -4.815 19.435 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -3.621 -9.465 23.356 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -4.531 -9.455 23.056 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -3.111 -9.655 22.566 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 18.663 -18.253 12.862 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 18.753 -17.483 12.292 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 18.453 -17.893 13.722 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 4.870 -19.430 -22.314 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 4.440 -19.830 -23.054 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 4.160 -19.210 -21.704 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 22.793 -1.673 1.270 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 21.963 -1.643 0.800 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 22.553 -1.903 2.160 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -13.214 -15.305 -4.560 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -13.614 -14.695 -5.190 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -13.774 -16.085 -4.600 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 15.207 -16.184 11.921 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 15.057 -16.054 12.861 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 14.537 -15.634 11.491 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 -0.265 -22.371 -16.137 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 -0.455 -21.491 -15.807 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 0.445 -22.691 -15.577 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 3.138 19.065 18.041 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 2.868 18.865 17.151 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 2.998 18.245 18.521 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 20.691 16.321 13.475 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 20.481 16.691 14.325 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 21.461 15.781 13.635 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 18.364 0.540 -0.525 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 19.224 0.710 -0.925 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 18.244 -0.400 -0.605 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 7.244 -0.127 16.570 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 7.724 -0.867 16.940 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 7.904 0.363 16.080 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.576 -15.865 -2.610 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.146 -16.385 -3.290 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 10.766 -16.485 -1.910 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 21.078 22.520 -2.162 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 20.838 23.330 -1.712 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 22.028 22.450 -2.032 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -14.005 -21.728 -24.336 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -13.585 -20.968 -23.936 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -14.325 -21.408 -25.186 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 5.803 -14.699 -18.160 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 5.703 -15.319 -18.890 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 4.913 -14.429 -17.950 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 23.394 11.103 8.278 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 22.964 11.923 8.528 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 22.764 10.423 8.508 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 11.554 -6.037 8.186 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 11.534 -5.097 7.986 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 11.894 -6.087 9.076 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 -22.499 -19.342 -21.270 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 -23.309 -19.842 -21.160 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 -21.939 -19.622 -20.540 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 6.153 5.890 -25.355 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 6.413 6.770 -25.645 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 6.743 5.690 -24.635 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 3.365 3.948 -16.804 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 4.315 3.828 -16.884 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 3.105 4.378 -17.614 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 3.305 -14.917 -8.644 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 2.655 -14.707 -9.324 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 3.275 -14.157 -8.054 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 19.535 -15.838 17.482 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 19.985 -16.688 17.502 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 19.365 -15.638 18.402 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -23.247 3.024 -17.701 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -24.007 2.654 -18.151 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -23.457 2.924 -16.771 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -17.946 -24.248 -10.557 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -17.686 -23.418 -10.167 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -17.466 -24.908 -10.057 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 20.796 2.052 -21.835 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 21.526 2.022 -22.455 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 20.096 1.552 -22.265 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 13.016 10.755 20.406 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 13.936 10.635 20.646 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 12.806 11.635 20.706 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 -19.546 10.568 9.597 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 -18.636 10.348 9.797 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 -20.046 9.848 9.987 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 -17.245 -3.771 -23.414 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 -16.795 -4.251 -22.724 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 -17.075 -4.271 -24.214 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 11.441 9.723 -10.227 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 11.411 10.613 -10.587 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 10.971 9.193 -10.857 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 4.298 8.445 -2.348 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 4.718 9.215 -1.968 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 3.398 8.475 -1.998 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 -20.272 -13.377 -12.559 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 -19.802 -12.747 -13.109 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 -19.832 -14.207 -12.729 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 9.058 -15.045 -5.175 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 9.708 -14.385 -5.435 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 8.578 -14.635 -4.455 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 -19.140 7.793 -13.845 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 -20.020 8.143 -13.985 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 -19.070 7.713 -12.895 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -17.504 -24.837 -16.924 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -16.814 -24.277 -17.264 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -18.014 -25.077 -17.704 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -20.531 -16.187 8.318 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -20.061 -15.527 8.818 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -19.851 -16.737 7.938 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 -14.912 -10.321 -18.112 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 -15.032 -10.311 -19.062 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 -15.592 -10.911 -17.792 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -2.272 0.277 5.356 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -3.082 0.587 4.956 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -2.512 -0.553 5.776 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 -0.549 -14.471 -4.471 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 -0.299 -15.081 -5.171 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 0.271 -14.261 -4.031 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 -1.113 -23.768 13.152 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 -0.283 -23.378 12.862 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 -1.243 -24.508 12.562 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 5.228 1.712 15.905 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 5.368 0.772 15.865 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 6.038 2.092 15.555 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 10.454 23.690 -8.378 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 11.304 23.910 -8.018 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 9.864 23.670 -7.618 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 16.771 -6.592 21.878 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 17.661 -6.482 21.538 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 16.291 -5.852 21.508 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 4.704 -4.824 -8.781 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 3.904 -5.354 -8.801 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 5.404 -5.434 -9.031 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -20.927 -1.802 14.141 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -21.427 -1.012 13.921 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -20.787 -2.242 13.301 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 15.981 19.503 -22.801 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 16.861 19.503 -22.431 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 15.821 20.423 -23.031 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -22.712 21.312 -15.331 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -22.012 21.942 -15.541 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -22.382 20.472 -15.661 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 5.946 -14.635 12.556 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 6.356 -14.655 13.426 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 6.336 -15.385 12.096 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 -22.337 5.971 -18.111 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 -21.707 6.271 -17.461 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 -22.647 5.131 -17.781 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -20.946 -9.270 11.125 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -20.256 -9.940 11.065 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -21.616 -9.670 11.675 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 9.683 -19.551 -1.561 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 9.833 -20.491 -1.531 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 9.523 -19.351 -2.481 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 -10.162 10.412 10.729 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 -10.812 9.982 10.189 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 -10.172 9.922 11.559 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 7.124 -13.366 -4.098 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 7.134 -12.906 -4.938 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 6.204 -13.586 -3.958 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -24.672 -19.619 -25.404 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -24.192 -19.429 -24.594 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -25.512 -19.179 -25.294 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 11.744 -9.420 -11.775 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 11.264 -10.250 -11.715 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 11.074 -8.750 -11.705 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -4.686 -11.595 16.774 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -4.596 -12.515 17.024 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -3.896 -11.405 16.274 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 24.754 -1.246 22.497 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 25.434 -1.456 21.857 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 23.934 -1.286 21.987 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -6.097 -25.428 11.081 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -5.327 -25.338 10.531 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -6.187 -24.588 11.521 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 8.635 1.715 4.829 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 8.815 1.495 5.739 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 9.505 1.745 4.419 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -14.743 -13.691 17.849 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -14.803 -14.441 18.439 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -15.563 -13.691 17.369 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 -15.600 22.470 2.637 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 -16.050 21.860 2.057 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 -15.290 23.170 2.057 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -24.187 -3.327 7.519 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -24.197 -2.387 7.359 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -24.017 -3.717 6.659 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -25.264 18.710 22.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -25.374 18.540 21.499 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -24.374 18.410 22.619 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -21.414 -11.442 -7.027 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -22.194 -11.982 -6.907 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -20.824 -11.992 -7.537 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -18.716 24.725 -22.224 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -19.586 24.745 -22.634 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -18.896 24.695 -21.284 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 1.504 -13.660 18.746 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 1.984 -14.400 18.376 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 2.184 -13.070 19.066 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 3.179 9.213 18.545 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 2.979 8.393 18.995 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 2.479 9.303 17.895 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 19.139 20.628 9.245 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 19.649 19.958 9.705 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 19.229 21.418 9.765 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 -11.526 22.916 16.672 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 -10.786 22.876 16.062 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 -11.636 23.846 16.862 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -20.046 -8.171 -17.641 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -20.786 -7.971 -18.201 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -19.976 -9.131 -17.661 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 5.963 -23.142 24.579 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 6.563 -22.622 25.119 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 5.893 -22.642 23.759 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 -6.554 6.892 -20.154 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 -5.804 6.352 -20.384 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 -6.324 7.772 -20.444 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 -9.327 18.381 22.471 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 -8.667 17.931 23.001 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 -10.117 17.861 22.591 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 -1.973 24.662 6.732 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 -2.623 24.022 6.452 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 -2.103 25.412 6.152 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 22.995 3.526 19.449 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 23.555 3.396 18.679 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 23.495 4.126 20.009 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 5.293 -11.627 -1.575 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 4.693 -10.917 -1.795 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 6.033 -11.207 -1.155 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 10.665 -6.762 22.687 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 10.435 -6.052 22.087 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 11.585 -6.612 22.887 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 23.921 -11.395 9.591 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 23.561 -10.845 10.281 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 24.761 -11.685 9.921 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 19.133 -20.925 6.112 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 19.963 -20.575 5.792 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 19.023 -21.755 5.642 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 -6.077 17.787 10.732 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 -6.267 18.227 11.562 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 -5.457 18.367 10.282 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 9.848 9.729 -24.304 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 9.838 10.309 -25.074 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 8.948 9.429 -24.214 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 16.209 -18.789 20.425 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 16.589 -18.009 20.025 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 16.629 -19.519 19.975 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 21.816 -1.021 -6.101 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 20.926 -0.821 -5.831 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 22.126 -1.651 -5.461 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -18.701 21.564 20.395 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -17.871 21.084 20.465 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -18.461 22.394 19.995 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 21.020 5.505 5.193 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 21.840 5.435 4.713 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 20.350 5.625 4.513 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 24.597 -12.677 -12.241 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 24.957 -12.607 -13.121 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 24.987 -13.477 -11.881 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 -7.260 2.315 -15.940 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 -8.180 2.415 -16.160 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 -7.060 3.065 -15.390 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 7.895 8.892 13.609 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 7.455 9.662 13.959 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 7.425 8.152 13.999 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 6.359 0.116 -11.431 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 6.389 1.036 -11.171 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 7.009 -0.304 -10.861 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 11.087 1.081 -10.804 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 11.287 2.021 -10.794 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 10.137 1.041 -10.744 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 24.337 6.349 -4.778 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 23.387 6.309 -4.888 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 24.577 7.229 -5.068 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 -9.702 -16.249 5.695 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 -9.332 -16.109 4.825 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 -9.472 -15.459 6.185 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 -18.296 -9.780 -0.699 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 -18.016 -8.940 -0.339 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 -18.166 -10.410 0.001 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 2.503 -24.357 -19.609 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 1.703 -24.867 -19.489 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 3.023 -24.887 -20.209 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -0.127 3.543 -17.838 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 0.373 3.103 -17.148 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 0.453 3.503 -18.598 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 0.134 -1.069 -18.276 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -0.326 -0.299 -17.926 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -0.566 -1.709 -18.426 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.736 11.185 -16.808 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 22.346 10.835 -16.168 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 21.316 11.925 -16.378 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 21.311 -16.570 -8.586 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 20.601 -16.100 -8.126 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 20.881 -17.340 -8.966 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -1.899 -0.730 19.122 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -2.739 -0.910 18.702 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -1.549 -1.590 19.352 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 9.370 -14.608 2.887 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 9.770 -15.478 2.897 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 8.450 -14.778 2.677 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 16.304 22.801 6.211 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 15.564 23.101 6.741 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 17.074 23.061 6.711 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 -8.069 -18.703 -18.304 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 -8.099 -19.503 -18.824 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 -8.849 -18.753 -17.744 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 5.465 -24.631 -8.412 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 6.325 -25.051 -8.452 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 5.665 -23.701 -8.332 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 0.634 -5.978 -9.411 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 0.854 -5.898 -8.481 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 0.464 -5.088 -9.691 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -1.660 9.152 6.748 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -0.940 8.912 7.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -2.130 8.332 6.608 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 20.460 -8.627 -0.946 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 20.160 -8.437 -1.836 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 20.000 -7.987 -0.406 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 10.348 -0.427 -5.913 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 10.158 0.153 -6.643 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 10.438 0.163 -5.163 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -24.754 -10.089 20.327 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -24.684 -11.029 20.197 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -25.674 -9.939 20.507 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 -8.205 13.260 19.760 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 -7.635 13.190 20.530 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 -7.615 13.520 19.050 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 1.499 -20.291 19.733 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 1.559 -20.711 20.593 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 1.359 -21.011 19.123 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 3.684 15.009 -1.731 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 3.734 15.819 -2.251 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 2.824 14.649 -1.951 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 22.306 21.039 -18.633 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 22.826 20.359 -19.063 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 22.896 21.379 -17.953 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 4.016 7.484 21.007 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 3.166 7.234 21.367 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 4.066 7.024 20.167 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 17.300 -22.790 -5.377 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 17.530 -23.170 -4.527 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 17.910 -22.050 -5.477 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -0.751 -16.808 -0.820 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -0.401 -16.568 -1.680 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -0.161 -16.388 -0.200 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 10.355 -15.376 -22.818 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 11.135 -15.326 -23.358 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 9.795 -16.016 -23.248 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 10.877 -20.911 14.218 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 10.527 -21.121 15.088 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 11.727 -21.351 14.198 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 10.999 22.817 -4.631 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 11.269 21.897 -4.631 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 11.499 23.207 -5.351 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 20.928 13.390 -12.205 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 21.288 14.260 -12.385 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 20.918 13.320 -11.255 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.249 -5.469 -24.751 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 3.039 -5.639 -24.221 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.049 -6.319 -25.161 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 24.755 18.940 19.711 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 23.925 19.400 19.601 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 25.145 18.940 18.831 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 12.534 -9.847 -22.177 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 13.434 -10.167 -22.077 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 12.124 -10.457 -22.797 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 -2.112 23.000 -15.062 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 -1.532 23.670 -15.412 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 -1.602 22.200 -15.082 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -24.537 19.782 -0.933 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -25.437 20.102 -0.983 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -24.367 19.672 -0.003 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 14.176 -23.238 -19.903 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 13.996 -23.798 -20.653 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 13.736 -23.668 -19.163 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 -22.074 -3.881 18.847 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 -21.464 -3.851 18.107 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 -22.504 -4.741 18.767 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 21.331 22.806 6.562 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 20.821 23.586 6.372 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 21.371 22.336 5.722 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 2.861 -18.071 -1.104 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 3.791 -18.081 -1.334 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 2.571 -17.181 -1.284 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 -1.779 7.361 22.449 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 -1.669 7.971 21.729 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 -2.709 7.141 22.449 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 15.069 -16.764 3.872 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 14.789 -17.504 4.402 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 15.209 -16.054 4.502 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 8.474 17.463 -7.878 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 9.304 17.603 -8.338 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 7.964 16.923 -8.478 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -7.702 -8.255 -23.428 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -7.962 -7.385 -23.138 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -6.822 -8.375 -23.068 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 12.204 -15.087 -6.979 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 12.014 -14.157 -6.849 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 11.674 -15.347 -7.739 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -2.630 18.353 17.092 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -3.520 18.393 17.432 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -2.290 19.243 17.222 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -17.936 -8.534 19.342 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -18.466 -7.954 18.792 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -17.336 -8.964 18.722 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 10.397 -12.804 -6.409 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 9.927 -12.004 -6.159 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 10.237 -12.894 -7.349 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -13.004 23.854 -24.688 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -12.924 24.754 -25.008 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -13.154 23.944 -23.748 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 5.415 -9.105 -1.703 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 4.535 -9.295 -1.363 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 5.885 -8.735 -0.953 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 24.521 0.590 24.709 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 24.681 1.470 24.359 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 24.791 0.010 23.999 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 3.806 -0.483 -11.478 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 3.536 -1.033 -12.218 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 4.766 -0.523 -11.478 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 15.450 -5.426 -1.594 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 15.200 -6.106 -2.214 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 14.740 -5.396 -0.954 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 11.634 -4.856 -4.587 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 12.484 -5.066 -4.977 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 11.504 -5.536 -3.927 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 14.408 23.318 14.320 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.068 23.498 13.660 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 14.678 22.488 14.710 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 -23.382 -12.705 23.740 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 -22.882 -11.895 23.620 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 -23.202 -13.215 22.940 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -15.484 9.648 -0.327 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -15.074 9.068 -0.957 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 -15.214 9.308 0.523 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 5.930 -23.853 7.523 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 5.760 -24.773 7.713 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 6.150 -23.473 8.373 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 -9.740 22.295 23.309 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 -9.620 22.055 22.389 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 -10.060 23.195 23.279 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 -13.054 -23.888 12.763 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 -13.244 -24.328 13.593 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 -12.114 -23.708 12.793 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 0.691 -7.057 -14.871 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 1.511 -6.587 -15.031 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 0.011 -6.387 -14.961 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 5.648 -11.464 11.669 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 6.128 -11.074 10.939 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 4.958 -11.984 11.259 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -5.552 -2.252 -15.557 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -5.182 -2.292 -16.437 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -4.922 -1.742 -15.047 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 0.145 21.720 -5.352 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 0.095 22.600 -5.722 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 0.495 21.170 -6.062 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 11.400 -15.041 13.909 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 10.870 -15.701 13.459 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 10.770 -14.381 14.189 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 -8.536 8.024 -1.707 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 -8.756 7.374 -2.367 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 -8.556 8.854 -2.177 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 18.704 12.926 4.089 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 19.474 12.966 4.659 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 18.064 13.516 4.499 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 -3.487 0.245 -7.401 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 -3.837 0.705 -8.161 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 -2.757 -0.275 -7.741 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 2.408 8.598 9.980 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 2.698 9.478 9.740 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 2.578 8.068 9.210 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 1.195 -16.101 -5.793 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 2.015 -16.281 -5.333 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 1.265 -16.581 -6.613 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 -13.375 -7.103 13.040 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 -14.215 -6.733 13.320 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 -13.545 -8.033 12.930 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 18.467 7.496 24.048 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 17.947 8.286 24.208 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 19.117 7.496 24.748 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 -8.609 15.735 -4.760 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 -8.029 16.295 -4.230 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 -8.239 15.775 -5.640 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 22.646 11.371 22.041 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 23.436 10.851 22.191 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 22.256 11.461 22.911 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 23.194 11.098 17.952 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 22.794 11.818 17.462 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 22.794 11.148 18.822 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -9.132 1.127 -8.691 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -9.202 0.237 -8.351 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -9.862 1.207 -9.301 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 10.064 3.586 -16.840 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 10.544 2.766 -16.970 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 9.744 3.816 -17.710 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.524 -6.998 13.839 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.684 -6.568 14.029 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 5.054 -6.828 14.619 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 -21.987 -5.045 -23.365 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 -22.507 -5.075 -22.565 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 -21.707 -4.135 -23.445 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 19.927 25.289 -19.933 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 20.697 25.099 -19.403 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 19.187 25.019 -19.393 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -5.063 16.679 3.399 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -4.643 16.839 2.549 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -4.383 16.269 3.929 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 -16.099 -15.351 2.507 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 -15.199 -15.581 2.287 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 -16.539 -15.251 1.667 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 6.275 -23.301 10.423 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 5.415 -23.501 10.803 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 6.905 -23.671 11.053 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 12.926 2.893 11.270 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 13.236 2.593 12.120 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 11.976 3.003 11.390 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 10.483 15.294 -12.802 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 9.743 15.864 -12.572 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 11.063 15.344 -12.042 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 -21.467 -7.670 -21.887 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 -22.187 -7.430 -22.477 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 -20.777 -7.040 -22.077 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -4.124 -20.842 -16.454 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -4.494 -19.952 -16.444 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -3.314 -20.762 -16.964 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 -22.753 -17.738 -3.659 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 -22.193 -18.268 -4.239 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 -22.133 -17.258 -3.109 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -1.322 -13.697 -0.567 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.132 -14.177 -0.727 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.512 -13.137 0.183 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -10.792 0.331 -20.274 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -11.012 -0.369 -20.894 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -9.902 0.591 -20.524 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 7.676 3.998 18.369 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 7.946 4.648 19.019 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 6.896 4.378 17.959 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 22.736 -20.994 0.388 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 22.886 -20.114 0.038 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 22.346 -20.854 1.248 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 -11.369 19.302 10.888 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 -12.289 19.072 10.998 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 -11.379 20.202 10.568 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 -17.665 10.092 -15.484 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 -17.725 9.672 -14.624 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 -18.245 9.572 -16.044 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -8.882 9.048 16.462 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -8.412 8.638 15.732 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -9.612 8.448 16.632 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 -3.301 2.820 -21.038 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 -3.771 2.070 -21.388 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 -2.871 3.210 -21.798 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -15.837 -21.738 1.855 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -16.417 -20.988 1.995 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -16.257 -22.238 1.155 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 -17.222 11.845 -24.459 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 -16.312 12.135 -24.429 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 -17.702 12.615 -24.779 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -16.862 -19.092 1.854 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -17.702 -18.652 1.994 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -16.422 -19.022 2.704 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 24.045 -24.360 17.051 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 24.965 -24.560 16.881 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 24.045 -23.500 17.461 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -21.566 -3.787 5.861 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -21.976 -3.837 6.721 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -20.776 -3.277 6.001 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 15.095 11.600 -8.351 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 14.495 11.100 -7.801 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 15.965 11.360 -8.041 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 8.369 -8.791 22.131 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 8.889 -9.481 22.551 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 8.959 -8.031 22.101 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 6.540 -12.320 14.196 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 6.800 -11.660 13.556 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 5.680 -12.610 13.896 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 5.601 11.709 8.314 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 5.321 12.439 7.774 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 6.191 12.099 8.954 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -16.881 -22.023 -4.896 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -17.141 -21.133 -4.636 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -17.061 -22.053 -5.836 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 16.260 8.022 6.870 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 16.090 8.672 7.560 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 15.490 7.462 6.880 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 -25.047 20.590 -14.331 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 -24.147 20.680 -14.641 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 -25.557 20.470 -15.131 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -4.206 23.155 5.618 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -4.486 23.945 5.158 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -4.876 23.005 6.278 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 -22.227 -20.809 18.072 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 -22.657 -20.439 18.842 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 -22.857 -20.689 17.362 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 -4.999 -11.737 -11.308 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 -5.179 -11.967 -10.398 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 -4.879 -10.787 -11.298 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 24.454 -16.022 19.728 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 25.364 -15.832 19.938 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 24.434 -16.962 19.558 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 13.264 -22.531 -13.105 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 13.564 -21.741 -13.555 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 13.124 -22.251 -12.205 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 14.460 -24.369 -3.284 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 13.710 -24.929 -3.064 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 14.120 -23.479 -3.234 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 3.663 5.151 8.980 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 4.093 4.401 8.570 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 2.733 4.931 8.970 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 -3.114 -14.766 6.335 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 -3.004 -15.366 5.605 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 -2.334 -14.206 6.325 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 6.575 10.815 14.799 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 5.775 10.615 15.279 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 6.505 11.745 14.579 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 7.548 -15.437 1.095 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 7.598 -15.157 0.175 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 6.788 -14.967 1.445 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 8.245 -19.056 18.086 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 7.745 -19.656 17.526 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 7.605 -18.746 18.726 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 -4.649 -0.769 -21.803 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 -5.089 0.021 -22.133 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 -4.659 -1.379 -22.543 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 -19.765 17.171 23.094 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 -19.835 17.441 24.004 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 -18.835 17.231 22.894 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -3.215 -4.389 24.569 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -2.715 -3.709 25.029 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -2.635 -4.679 23.869 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 15.290 8.816 -22.649 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 15.390 8.266 -23.429 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 16.120 9.306 -22.599 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 -0.395 24.990 -11.574 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 -1.025 24.550 -11.014 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 0.225 24.310 -11.834 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 22.594 22.588 0.659 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 23.404 22.868 1.079 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 21.924 23.178 1.019 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 4.073 21.424 -5.501 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 3.123 21.404 -5.661 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 4.363 22.254 -5.871 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.783 -25.172 9.106 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.003 -24.742 9.446 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.633 -25.202 8.156 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 2.960 0.264 -8.508 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 3.250 1.064 -8.078 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 3.240 0.364 -9.418 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 -9.250 10.087 1.651 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 -9.550 9.427 1.021 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 -8.650 10.637 1.151 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 -5.066 -14.861 10.902 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 -5.136 -14.461 10.032 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 -4.136 -14.811 11.112 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.747 -14.029 -13.745 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 1.207 -13.359 -13.225 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.297 -13.519 -14.415 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 14.291 11.381 -23.639 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 14.481 10.621 -23.079 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 13.391 11.241 -23.929 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 -7.410 -0.352 22.507 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 -6.670 -0.732 22.037 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 -7.720 0.348 21.927 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -22.397 22.357 -19.105 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -21.567 22.087 -18.715 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -22.337 23.307 -19.185 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 7.686 2.217 12.245 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 6.736 2.117 12.325 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 8.006 1.317 12.165 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -19.869 -11.135 -2.331 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -19.679 -10.785 -1.471 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -19.019 -11.165 -2.781 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 5.934 8.722 -8.714 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 6.024 9.142 -9.564 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 5.264 8.042 -8.844 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -20.406 20.216 22.565 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -20.536 19.306 22.315 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -19.896 20.596 21.855 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -21.946 19.497 -22.721 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -22.596 19.537 -22.021 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -21.826 20.397 -23.001 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -5.939 -14.135 5.309 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -5.549 -14.085 6.179 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -5.199 -14.255 4.719 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 5.321 24.097 5.516 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 6.061 24.157 4.916 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 4.761 24.847 5.276 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 7.698 14.082 -12.366 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 8.628 13.902 -12.216 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 7.658 14.372 -13.276 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -5.975 -9.250 -8.205 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -6.705 -9.770 -7.875 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -5.795 -8.620 -7.495 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.707 -18.797 14.370 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.997 -18.517 14.950 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.277 -18.937 13.520 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -24.947 12.728 -1.911 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -25.017 12.968 -0.981 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -25.687 13.158 -2.321 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 0.105 5.820 17.866 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -0.365 6.340 17.206 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -0.585 5.320 18.306 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 4.485 -2.149 -8.139 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 3.855 -1.479 -8.399 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 4.325 -2.869 -8.749 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 7.480 4.064 22.990 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 6.650 4.174 22.540 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 7.250 3.664 23.830 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 11.030 22.172 -10.690 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 10.800 22.762 -9.970 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 11.270 21.352 -10.270 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -21.397 -20.640 3.402 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -20.847 -20.050 2.892 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -21.957 -20.060 3.922 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 -24.999 -16.365 23.622 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 -25.329 -15.485 23.802 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 -24.149 -16.395 24.062 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -15.650 -15.159 -15.830 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 -15.420 -16.089 -15.950 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 -15.500 -14.999 -14.890 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -23.236 -19.357 13.826 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -22.416 -19.317 13.326 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -23.916 -19.197 13.176 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 6.111 14.403 -5.769 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 6.721 13.733 -6.079 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 6.471 15.223 -6.099 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -12.143 -6.771 -17.636 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -12.603 -6.811 -18.476 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -11.233 -6.961 -17.866 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -12.652 -22.096 -7.605 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -13.202 -22.636 -8.165 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -11.772 -22.166 -7.985 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 3.568 -12.881 -17.632 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 3.448 -12.581 -18.532 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 4.008 -12.151 -17.192 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -11.950 3.512 -22.542 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -11.510 4.262 -22.932 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -12.040 3.742 -21.612 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 -0.196 17.944 2.216 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 0.204 18.444 1.516 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 0.544 17.574 2.696 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 3.461 5.251 -0.945 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 4.141 4.581 -0.945 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 3.911 6.051 -1.205 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 8.121 12.509 -19.361 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 8.441 12.129 -18.541 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 8.671 12.119 -20.041 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 17.249 -14.403 16.476 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 18.069 -14.723 16.846 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 17.279 -13.453 16.616 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 -2.624 -4.123 -0.173 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 -2.794 -3.403 0.447 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 -2.384 -3.673 -0.983 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 25.419 -0.751 -23.298 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 25.279 -0.031 -23.908 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 25.029 -0.451 -22.478 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -20.163 -5.430 -16.131 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -19.933 -5.690 -15.231 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -19.933 -4.510 -16.181 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 -6.507 13.799 -23.706 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 -7.327 14.149 -24.056 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 -6.787 13.209 -22.996 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.374 -21.291 -6.336 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.524 -22.221 -6.146 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 21.794 -21.001 -5.626 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 -4.233 -12.089 8.358 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 -3.863 -11.789 7.528 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 -4.963 -12.659 8.108 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 24.771 18.344 16.809 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 25.721 18.494 16.789 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 24.662 17.494 16.379 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 1.625 -22.133 -18.511 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 1.545 -21.993 -17.561 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 2.125 -22.953 -18.581 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -6.277 0.251 -17.605 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -6.367 0.671 -16.745 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -6.777 0.821 -18.195 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -24.444 10.526 -17.004 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -24.364 11.396 -17.374 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -23.684 10.416 -16.444 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 21.777 2.399 -5.473 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 22.367 3.159 -5.493 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 21.727 2.119 -6.383 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -24.715 17.781 8.061 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -24.825 17.701 9.011 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -23.795 18.031 7.961 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -14.003 -4.209 -19.051 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -14.463 -4.719 -18.391 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -13.093 -4.199 -18.751 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 1.269 -22.193 12.151 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 1.199 -21.583 11.431 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 1.899 -22.853 11.851 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -8.999 14.463 -24.978 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.329 15.353 -25.038 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -9.779 13.913 -24.928 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 4.366 21.014 19.633 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 3.866 20.294 19.253 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 5.146 21.084 19.083 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 11.937 -2.552 8.129 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 11.457 -1.822 8.519 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 12.237 -3.072 8.879 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -1.682 5.635 -12.445 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -2.172 5.955 -13.205 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -1.622 4.695 -12.585 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 6.554 -22.466 -3.194 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 5.854 -23.106 -3.304 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 6.804 -22.226 -4.084 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -5.137 -5.606 -7.920 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -6.067 -5.806 -8.030 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -5.047 -4.696 -8.230 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 9.808 4.634 7.152 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 8.858 4.774 7.072 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 9.888 3.884 7.742 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 -2.054 17.257 11.372 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 -2.414 18.127 11.172 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 -2.614 16.647 10.902 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 11.995 -20.185 -13.978 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 12.885 -20.235 -14.308 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 11.465 -20.685 -14.608 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 -7.355 -20.530 14.152 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 -7.135 -19.750 13.642 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 -7.905 -20.200 14.862 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -21.943 -17.645 16.237 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -22.053 -18.545 15.947 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -22.643 -17.515 16.887 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 4.026 -8.885 18.037 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 4.826 -9.255 17.667 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 3.326 -9.315 17.547 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -9.157 -1.659 -7.651 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -9.027 -2.199 -8.431 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -10.057 -1.839 -7.381 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 -12.399 -23.917 -24.505 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 -13.229 -23.427 -24.455 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 -12.169 -24.087 -23.595 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -14.409 7.282 -16.121 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -15.289 6.952 -15.961 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -14.459 7.752 -16.951 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 -20.954 -1.651 -2.303 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 -20.564 -1.381 -3.133 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 -21.644 -1.011 -2.143 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 -1.587 4.815 5.240 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 -0.947 4.305 5.750 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 -1.767 5.575 5.780 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 20.907 -12.760 -6.198 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 21.097 -13.650 -5.898 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 21.507 -12.620 -6.928 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 -7.306 -22.161 -18.501 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 -6.536 -21.641 -18.291 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 -7.736 -21.691 -19.211 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 17.736 -16.439 0.765 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 18.216 -16.829 0.025 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 16.906 -16.909 0.785 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 16.366 4.965 2.060 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 17.296 5.135 1.930 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 16.176 5.305 2.940 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 16.358 17.433 -10.564 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 15.448 17.513 -10.274 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 16.368 16.653 -11.114 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.915 16.769 19.620 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 3.615 16.089 19.020 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 4.845 16.569 19.760 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -23.453 3.786 -21.988 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -23.483 3.696 -21.028 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -24.263 4.246 -22.208 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 7.109 -18.149 11.137 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 7.099 -19.109 11.217 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 6.549 -17.969 10.377 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 5.224 24.216 -24.644 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 5.354 24.726 -25.434 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 4.624 24.736 -24.114 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 18.154 23.862 -23.581 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 18.504 22.982 -23.451 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 17.724 23.832 -24.431 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.610 -0.852 1.379 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -16.960 -0.252 0.729 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -15.690 -0.942 1.149 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 20.321 10.558 -10.650 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.841 10.748 -11.460 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 21.121 11.078 -10.720 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 11.348 14.593 -8.869 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 12.158 14.613 -9.369 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 11.628 14.553 -7.959 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 24.857 -20.193 -4.709 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 24.557 -21.003 -4.299 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 25.087 -20.453 -5.599 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 16.285 -6.850 -6.611 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 17.115 -6.440 -6.341 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 16.395 -7.780 -6.381 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -1.114 -22.649 -4.760 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -0.644 -21.839 -4.960 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -0.744 -23.299 -5.360 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 -1.185 -2.986 -10.670 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 -0.285 -3.176 -10.920 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 -1.645 -3.816 -10.750 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 10.800 6.437 17.842 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 11.530 6.757 18.362 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 11.000 6.707 16.952 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 21.465 13.803 7.882 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 20.595 13.493 8.112 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 21.345 14.253 7.052 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -24.670 -5.450 -2.830 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -24.930 -4.790 -2.180 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -25.300 -6.170 -2.700 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 10.459 12.353 -10.688 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 10.089 12.043 -9.858 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 11.289 12.763 -10.438 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 23.838 24.784 9.924 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 23.598 24.074 9.334 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 24.738 25.004 9.694 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.016 -21.617 -20.699 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.656 -20.987 -20.369 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 17.406 -21.967 -21.499 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 3.142 -13.669 -6.164 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 2.973 -14.239 -5.414 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 3.063 -12.779 -5.814 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 2.973 17.602 -2.367 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 3.003 17.912 -3.267 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 3.843 17.802 -2.017 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -1.070 9.482 11.019 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -1.330 10.202 11.589 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -0.800 9.892 10.209 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -8.634 -1.732 -11.305 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -7.904 -2.262 -10.985 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -8.224 -0.912 -11.595 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -24.793 -21.604 -22.828 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -25.363 -21.274 -23.528 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -24.973 -21.034 -22.078 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 21.403 24.352 23.913 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 20.663 23.812 24.193 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 21.003 25.052 23.403 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 -15.369 -10.095 2.262 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 -14.819 -9.375 1.962 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 -14.769 -10.835 2.372 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 -17.305 22.568 8.712 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 -16.665 22.538 8.012 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 -17.515 21.658 8.892 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 -21.781 -14.505 22.091 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 -20.851 -14.735 22.191 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 -22.161 -14.675 22.951 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 -2.351 -17.828 -17.592 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 -2.171 -18.028 -18.512 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -3.301 -17.688 -17.562 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -13.315 -14.593 -12.226 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -13.285 -14.473 -13.176 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -12.835 -13.833 -11.886 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -9.807 3.114 18.537 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -9.857 2.214 18.857 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -9.537 3.634 19.297 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 5.795 -9.959 16.165 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 5.185 -10.319 15.525 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 6.645 -9.969 15.725 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 18.524 13.341 -21.465 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 19.174 13.991 -21.715 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 18.364 13.511 -20.535 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 -17.956 2.111 -17.743 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 -17.566 1.311 -18.103 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 -17.516 2.821 -18.213 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 -5.906 17.206 23.313 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 -6.346 16.526 22.803 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 -5.146 17.446 22.783 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -7.497 21.477 -9.862 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -8.357 21.877 -9.792 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -7.288 21.487 -10.792 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -8.715 24.392 16.996 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.085 25.082 17.156 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 24.822 17.056 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 10.346 25.132 19.462 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 10.876 25.872 19.772 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 10.336 24.522 20.202 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 18.810 0.762 -11.250 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 19.570 1.162 -11.660 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 18.260 0.482 -11.980 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 -11.446 -21.528 24.821 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 -10.556 -21.378 25.121 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 -11.556 -22.478 24.821 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -19.690 -2.156 -17.445 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -20.120 -2.996 -17.615 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -19.830 -2.006 -16.515 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 7.256 -8.610 -16.505 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 7.416 -8.860 -15.595 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 8.096 -8.770 -16.945 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 -0.070 21.583 10.319 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 -0.800 21.493 10.929 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 -0.450 21.373 9.459 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 23.773 -23.462 0.182 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 23.173 -23.742 -0.508 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 23.343 -22.712 0.592 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -0.629 17.295 -14.232 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -0.989 16.885 -13.452 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -1.009 18.175 -14.242 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -0.295 -7.430 -6.305 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -0.175 -7.940 -7.105 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 0.575 -7.060 -6.125 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 23.386 10.751 -4.365 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 22.516 10.351 -4.285 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 23.896 10.331 -3.675 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 -24.796 9.863 -10.139 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 -25.616 9.923 -9.649 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 -24.676 8.923 -10.289 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 -24.479 -16.721 -5.590 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 -23.559 -16.481 -5.460 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 -24.449 -17.581 -6.010 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -25.151 6.789 -18.359 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -24.251 6.519 -18.509 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -25.251 7.599 -18.859 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 4.308 2.403 10.134 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 4.128 1.803 10.854 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 4.188 3.273 10.504 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 15.903 -24.289 10.815 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 15.033 -24.669 10.975 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 15.723 -23.389 10.535 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -18.443 -21.749 22.592 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -18.203 -22.669 22.682 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -17.973 -21.309 23.302 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 -0.993 25.257 16.635 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 -1.233 24.777 17.435 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 -1.683 25.027 16.015 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 8.680 23.381 -0.738 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 9.500 23.621 -1.158 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 8.490 24.101 -0.138 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -12.407 1.550 -9.499 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -12.987 2.120 -10.009 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -12.927 1.280 -8.749 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -14.026 25.455 8.442 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -13.176 25.215 8.802 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -14.196 24.805 7.762 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 -15.562 5.947 3.346 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 -16.002 5.837 2.496 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 -15.442 5.047 3.656 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 -7.095 2.610 -18.951 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 -7.615 2.970 -19.681 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 -7.455 3.030 -18.171 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -0.885 -1.515 13.921 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -0.175 -1.005 14.301 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -1.515 -0.855 13.621 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 16.510 -15.816 7.729 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 16.020 -15.266 8.349 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 17.420 -15.556 7.849 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 -18.842 12.685 19.556 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 -19.592 12.945 19.006 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 -18.652 13.465 20.076 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 5.630 11.195 4.716 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 5.560 10.295 4.396 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 6.180 11.135 5.496 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 -12.855 -24.160 -16.055 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 -13.005 -25.090 -15.925 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 -12.235 -24.110 -16.775 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 13.393 11.675 4.315 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 12.603 12.055 3.925 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 13.173 11.545 5.235 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 25.204 1.124 -15.530 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 24.424 0.744 -15.950 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 25.394 0.534 -14.800 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 16.197 13.892 -8.670 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 17.147 13.892 -8.840 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 15.987 12.982 -8.490 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 0.596 1.233 4.499 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 0.486 1.993 3.939 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -0.204 1.203 5.029 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 9.114 12.050 -4.424 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 9.224 12.870 -3.944 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.854 12.320 -5.304 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -18.084 17.450 -16.026 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -17.724 17.710 -15.186 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -17.364 17.010 -16.466 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 -12.545 20.504 8.751 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 -12.415 21.424 8.991 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 -11.965 20.354 8.011 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 23.563 17.206 9.762 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 23.383 18.036 9.332 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 22.733 16.736 9.752 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -6.740 20.701 1.205 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -7.300 21.121 0.545 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -6.640 21.371 1.885 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 23.346 1.962 -11.049 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 23.166 1.832 -10.119 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 22.576 1.602 -11.499 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 -10.222 -14.917 12.743 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 -11.172 -14.857 12.573 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 -10.062 -14.277 13.433 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 -23.899 4.299 -3.361 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 -23.829 5.129 -3.831 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 -24.399 3.729 -3.941 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 23.571 14.639 -8.304 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 22.751 14.569 -7.824 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 23.531 15.499 -8.724 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 -1.957 12.312 -4.941 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 -1.317 13.002 -5.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 -2.617 12.392 -5.631 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 23.291 -7.800 2.025 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 23.121 -6.890 2.265 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 24.241 -7.890 2.085 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 -15.003 -16.174 -10.105 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 -15.693 -15.524 -10.195 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 -14.493 -16.094 -10.915 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 -9.134 -12.212 -22.295 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 -9.174 -12.972 -21.715 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 -8.574 -11.582 -21.845 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 2.750 -10.335 -13.961 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 2.140 -9.985 -14.621 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 2.400 -10.015 -13.131 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 6.277 -6.792 -24.335 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 7.077 -7.182 -23.975 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 6.537 -5.912 -24.605 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 20.539 2.652 -15.221 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 21.439 2.992 -15.151 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 20.559 2.082 -15.981 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 14.505 17.702 6.993 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 14.485 18.642 6.833 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 14.905 17.612 7.863 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 -1.723 -3.998 13.392 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 -0.783 -4.168 13.492 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 -1.793 -3.048 13.292 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 20.927 -1.972 -0.953 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 19.987 -1.982 -1.083 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 21.237 -1.252 -1.513 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -7.080 23.581 -0.381 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -7.230 24.061 -1.191 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -7.720 23.951 0.229 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 3.737 10.961 20.921 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 4.147 11.651 20.391 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 3.457 10.301 20.291 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 13.677 -1.518 -23.291 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 13.357 -1.928 -24.101 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 13.257 -2.008 -22.591 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 9.838 9.163 -15.963 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 9.988 10.093 -15.773 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 10.688 8.753 -15.813 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.529 -9.423 25.152 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 23.989 -10.193 25.492 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 24.139 -9.043 24.522 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 23.777 -5.865 -7.132 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 23.477 -6.455 -7.822 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 24.027 -6.445 -6.412 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 16.524 7.002 20.600 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 15.764 6.672 20.130 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 16.194 7.752 21.100 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 17.687 -12.351 2.125 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 18.457 -12.901 1.965 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 17.887 -11.531 1.685 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 16.574 7.129 10.550 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 16.734 7.709 9.800 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 17.284 6.489 10.520 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -9.846 -11.852 -17.564 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -9.496 -11.312 -18.274 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -9.326 -11.602 -16.804 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 -4.011 5.178 21.589 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 -4.891 5.058 21.239 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 -3.451 5.258 20.819 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 13.247 0.759 5.666 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 13.877 0.409 5.026 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 12.647 1.299 5.146 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 14.318 -4.685 -13.911 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 14.838 -5.475 -14.041 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 13.838 -4.845 -13.091 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -1.295 -0.903 -13.213 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -1.425 -1.843 -13.123 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -0.715 -0.813 -13.973 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 2.556 14.864 10.219 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 2.496 14.484 11.099 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 3.496 14.854 10.019 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -24.956 -19.792 -12.841 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -25.146 -18.972 -13.281 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -24.916 -19.562 -11.911 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 5.007 -14.504 21.832 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 4.707 -13.744 21.352 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 5.577 -14.974 21.222 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 -5.914 -7.627 -19.718 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 -6.724 -7.277 -20.068 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 -5.344 -7.717 -20.488 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 -7.661 11.762 14.645 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 -7.001 12.382 14.335 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 -7.211 10.922 14.635 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 18.607 15.444 -24.131 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 18.187 15.394 -23.281 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 19.397 14.904 -24.041 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 -0.312 19.136 -20.820 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 0.458 19.186 -21.380 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 -0.382 18.216 -20.580 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 21.959 -13.976 8.329 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 21.449 -13.336 8.829 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 22.639 -13.446 7.899 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 24.374 24.207 19.689 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 24.834 24.097 20.529 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 24.974 23.837 19.039 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 -4.422 5.100 13.472 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 -4.572 4.700 12.622 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 -3.652 5.650 13.352 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -10.179 -22.632 14.161 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -10.229 -23.152 13.361 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -9.669 -21.852 13.911 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 15.040 25.024 -16.118 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 15.020 24.534 -16.938 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 15.880 24.784 -15.718 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 0.828 -1.552 -5.268 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 0.448 -1.432 -4.398 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 1.748 -1.772 -5.098 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -21.634 6.531 24.136 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -21.634 6.721 25.076 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -21.584 5.581 24.086 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 9.998 -4.657 -8.011 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 9.528 -5.477 -7.911 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 10.348 -4.467 -7.141 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -13.173 6.753 -11.408 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -13.983 6.273 -11.248 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -13.073 7.323 -10.648 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -24.500 15.201 5.213 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -23.580 15.361 5.433 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -24.550 15.331 4.273 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 20.783 -11.923 9.966 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 20.543 -12.403 10.756 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 21.613 -11.503 10.176 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 -10.261 -10.436 -14.345 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 -11.111 -10.086 -14.615 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 -9.941 -9.806 -13.705 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 3.379 -10.537 2.392 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 3.149 -10.827 3.282 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.939 -11.177 1.822 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 21.865 6.634 7.541 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 21.505 6.454 6.671 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 22.805 6.484 7.441 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 -21.875 -7.613 9.277 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 -20.995 -7.973 9.217 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 -22.405 -8.343 9.617 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -0.813 1.469 -20.460 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -1.363 2.129 -20.880 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -0.733 0.769 -21.100 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 21.013 -24.078 -3.049 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 20.233 -24.498 -2.689 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 20.993 -24.268 -3.979 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 3.229 -23.489 10.479 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 2.539 -23.079 9.959 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 3.539 -24.209 9.939 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -20.482 17.009 -16.101 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -19.622 16.629 -15.921 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -20.352 17.549 -16.881 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 -5.033 -7.370 17.080 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 -4.453 -7.940 17.580 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 -4.613 -7.310 16.220 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 -23.665 10.851 -3.470 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 -23.765 11.301 -2.630 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 -24.355 11.221 -4.020 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -16.931 -2.245 -13.801 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -16.801 -1.785 -14.631 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -16.581 -1.655 -13.141 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 16.497 3.551 4.893 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 17.327 4.021 4.943 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 16.587 2.841 5.533 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 -23.145 4.636 11.446 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 -23.765 4.766 12.156 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 -23.655 4.226 10.746 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 24.313 13.871 -23.221 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 25.183 14.011 -22.851 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 24.393 14.121 -24.141 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 13.593 -7.552 14.954 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 12.813 -7.422 15.494 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 13.493 -6.942 14.224 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -18.983 -18.649 5.826 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -18.523 -19.219 5.206 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -18.293 -18.309 6.386 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 2.244 19.753 15.217 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 1.354 19.833 14.867 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 2.484 20.643 15.467 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -19.383 -18.150 -19.255 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -20.093 -18.130 -18.615 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -18.953 -18.990 -19.105 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 24.646 9.383 23.005 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 25.116 9.723 22.245 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 25.116 8.573 23.235 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 14.824 -17.279 -0.752 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 15.414 -17.709 -1.362 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 14.314 -16.679 -1.292 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 22.306 -9.771 17.256 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 22.076 -8.951 16.836 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 22.136 -10.441 16.596 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 -3.043 -11.435 -22.765 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 -3.253 -10.645 -23.275 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 -3.853 -11.615 -22.275 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -6.404 -23.363 -23.349 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -7.034 -22.703 -23.609 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -6.714 -23.693 -22.509 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 1.721 18.742 -22.525 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 1.701 17.852 -22.885 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 2.001 19.292 -23.255 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 3.263 5.362 -19.118 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 2.563 5.912 -18.778 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 3.853 5.982 -19.568 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 1.733 -10.574 8.175 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 1.423 -9.694 7.965 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 2.683 -10.524 8.065 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 23.413 -12.216 -3.463 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 24.203 -11.956 -3.943 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 23.423 -11.676 -2.673 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -6.284 -7.623 -16.832 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -6.884 -7.863 -17.532 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -5.594 -8.283 -16.862 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 19.593 15.894 -2.227 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 18.813 16.364 -2.537 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 19.713 16.204 -1.327 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -14.686 -22.520 9.627 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -15.136 -22.710 10.447 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -14.656 -23.360 9.167 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 23.537 -19.751 -10.560 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 24.487 -19.611 -10.540 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 23.267 -19.421 -11.420 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 16.816 8.335 0.180 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 17.346 8.815 -0.460 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 16.776 7.435 -0.160 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -7.695 -6.421 -8.298 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -8.095 -7.201 -7.918 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -8.425 -5.911 -8.638 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 -20.693 24.725 19.882 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 -20.313 24.075 20.472 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 -21.203 25.295 20.452 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 1.057 14.127 -15.407 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 1.887 13.697 -15.187 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 1.207 15.047 -15.177 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 1.666 -16.388 -22.656 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 0.796 -16.228 -23.026 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 2.236 -15.788 -23.136 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.736 17.929 23.122 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.156 17.509 22.492 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -22.196 18.059 23.902 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 13.703 -25.290 -13.549 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 13.913 -25.650 -14.409 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 14.013 -24.390 -13.569 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 21.173 4.425 1.931 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 20.823 3.615 1.551 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 21.323 5.005 1.191 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -22.057 -5.526 22.191 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -22.667 -6.226 21.981 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -22.467 -5.046 22.901 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 24.495 14.855 11.756 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 24.275 15.545 11.126 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 23.645 14.555 12.076 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 5.503 -21.940 -7.429 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 5.043 -21.100 -7.379 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 6.233 -21.780 -8.029 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 -19.404 -10.517 20.731 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 -19.994 -10.127 20.091 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 -18.544 -10.177 20.491 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -4.035 -4.476 -15.675 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -4.355 -4.096 -14.855 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -3.085 -4.486 -15.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -11.724 -22.818 18.530 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -11.804 -22.458 17.640 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -11.704 -23.768 18.400 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 15.441 -7.335 -13.304 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 16.311 -7.115 -12.964 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 15.371 -8.285 -13.184 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 -15.123 3.197 3.917 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 -15.833 2.607 4.187 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 -14.653 2.717 3.227 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -0.040 8.202 13.659 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -0.080 8.622 12.799 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 0.200 8.902 14.269 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -19.285 -9.548 16.075 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.225 -8.728 16.575 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -18.575 -10.088 16.425 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 -9.793 20.363 0.433 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 -9.823 20.223 -0.517 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 -10.273 19.613 0.803 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 -1.432 6.885 -16.741 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 -2.082 7.565 -16.901 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 -1.952 6.125 -16.451 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -19.896 11.981 -15.815 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -19.386 12.651 -16.275 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -19.246 11.401 -15.425 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 -15.802 18.149 1.112 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 -15.632 17.969 0.192 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 -16.112 17.319 1.462 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 -13.473 2.353 1.202 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 -12.853 2.773 1.802 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 -12.973 2.203 0.402 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -18.081 6.321 -24.951 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -18.541 5.501 -24.751 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -17.921 6.281 -25.901 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 6.350 19.571 -9.880 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 6.780 19.811 -9.060 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 6.720 20.171 -10.530 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 -17.110 17.586 22.842 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 -16.280 17.836 22.432 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 -17.130 18.056 23.672 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 -15.939 8.685 15.797 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 -15.829 9.245 15.027 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 -16.289 7.865 15.447 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 7.845 -15.395 22.189 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 8.235 -16.155 22.609 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 6.905 -15.495 22.339 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 8.280 -24.026 -14.970 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 8.680 -24.886 -14.950 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 8.790 -23.536 -15.610 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 -21.299 13.095 -12.730 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 -21.269 14.035 -12.920 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 -20.519 12.735 -13.150 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -9.585 -20.449 -5.756 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -9.435 -21.239 -5.236 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -9.575 -19.739 -5.116 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 4.607 -17.881 3.962 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 4.787 -18.691 3.492 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 5.397 -17.721 4.482 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -13.930 12.100 -14.039 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -13.110 12.590 -14.059 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -14.280 12.260 -13.159 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -22.116 16.859 12.589 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -21.446 16.999 11.919 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -22.916 16.679 12.089 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 5.007 15.046 4.229 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 4.827 14.486 4.989 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 4.227 15.586 4.149 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 11.126 -8.668 -15.029 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 11.496 -8.058 -14.399 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 11.586 -9.488 -14.859 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -16.406 24.474 15.826 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -15.796 23.874 16.266 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -17.236 24.364 16.296 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 23.191 -14.340 3.957 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 22.471 -14.550 4.537 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 23.901 -14.930 4.217 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 14.747 -3.785 -21.378 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 15.287 -3.575 -22.138 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 15.377 -4.075 -20.718 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 1.908 9.665 -15.051 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 1.408 8.845 -15.081 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 2.818 9.395 -15.091 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 10.014 -16.542 19.651 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 9.674 -17.002 18.881 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 10.654 -15.922 19.301 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 12.790 21.506 -19.024 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 12.990 21.576 -18.094 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 13.020 20.606 -19.254 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 15.254 -3.239 -2.909 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 14.364 -3.089 -3.219 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 15.244 -4.129 -2.569 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 17.958 15.480 6.533 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 18.848 15.820 6.553 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 17.778 15.210 7.443 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -14.811 17.849 21.444 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -13.881 17.779 21.674 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -14.921 17.229 20.724 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 23.730 17.154 5.849 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 23.150 16.854 6.549 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 24.590 16.804 6.079 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 9.644 12.843 14.857 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 10.034 12.283 15.527 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 10.394 13.133 14.327 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 8.228 -5.088 -14.405 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 7.748 -4.268 -14.505 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 7.578 -5.768 -14.545 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.527 -0.340 -24.998 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 20.157 -0.020 -24.168 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.367 0.120 -25.068 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 9.764 -17.984 -23.994 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 10.624 -17.834 -24.384 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 9.894 -18.734 -23.414 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 11.701 -13.189 -21.068 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 12.541 -13.259 -20.628 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 11.461 -12.269 -20.988 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 -9.732 5.535 -23.042 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 -9.972 6.375 -23.412 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 -9.782 5.665 -22.092 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 -10.247 -15.738 -4.909 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -11.137 -15.538 -5.219 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 -9.877 -16.318 -5.579 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 18.995 22.535 0.060 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 19.415 23.385 0.190 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 19.205 22.295 -0.850 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 -25.032 -12.975 4.640 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 -25.102 -12.705 5.560 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 -24.982 -13.925 4.670 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 9.355 19.817 -3.931 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 9.215 20.047 -3.011 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 10.195 20.227 -4.151 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 -10.002 -5.048 -9.565 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 -10.892 -5.008 -9.205 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 -10.122 -5.298 -10.475 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 13.969 -20.497 20.325 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 13.599 -20.397 21.205 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 14.689 -19.857 20.295 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 6.044 -12.873 17.076 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 6.684 -12.913 16.366 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 5.644 -12.013 16.996 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 20.094 -1.452 8.230 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 19.944 -2.392 8.120 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 20.854 -1.402 8.820 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 18.567 12.794 -15.718 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 17.787 12.264 -15.598 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 18.237 13.624 -16.058 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 2.880 -19.473 16.034 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 2.740 -19.813 16.914 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 2.300 -20.003 15.474 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 -20.191 -12.774 -4.691 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 -20.121 -11.824 -4.571 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 -19.501 -12.984 -5.321 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 19.083 -5.051 2.659 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 18.503 -4.401 3.059 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 19.303 -5.651 3.369 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 7.665 24.507 2.591 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 7.805 24.937 3.431 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 8.235 24.967 1.981 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 17.841 0.428 14.016 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 17.961 -0.332 13.446 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 18.701 0.858 14.026 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -4.020 -17.261 -2.226 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -3.190 -17.071 -1.796 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -4.060 -16.651 -2.956 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 -21.604 6.004 -23.430 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 -22.034 5.194 -23.150 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -20.754 5.994 -22.990 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 -12.056 -3.902 6.635 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 -11.206 -4.142 7.005 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 -12.306 -4.652 6.085 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 2.308 3.483 4.913 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 1.858 3.993 4.243 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 2.398 2.613 4.533 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -16.944 -21.426 8.189 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -17.084 -22.136 7.549 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -16.604 -21.876 8.969 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -19.732 12.054 7.172 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -19.422 12.364 8.022 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -20.322 11.334 7.372 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -8.212 -1.353 19.623 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -9.062 -1.293 20.063 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -7.892 -2.233 19.823 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 6.174 21.320 16.999 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 5.504 20.670 17.209 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 5.774 21.860 16.319 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 -0.173 1.849 -8.109 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 -0.683 1.769 -8.919 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 0.277 1.009 -8.029 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 7.934 -16.545 16.442 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 8.634 -15.995 16.792 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 8.264 -17.435 16.552 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 15.306 11.414 18.005 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 15.236 12.314 17.705 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 15.296 10.894 17.205 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 1.010 14.546 20.546 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 1.500 14.886 19.796 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 0.220 14.166 20.166 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 -8.694 -5.822 -14.035 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 -8.394 -6.402 -13.345 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 -7.894 -5.602 -14.525 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 6.026 -3.631 16.265 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 5.186 -3.771 15.825 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 5.786 -3.171 17.075 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -23.383 24.826 16.572 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -22.943 25.546 17.012 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -23.273 24.076 17.162 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 0.627 21.018 -10.724 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 0.127 20.218 -10.534 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 1.017 20.858 -11.584 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 -2.507 7.980 -2.974 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 -2.847 8.720 -2.464 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 -2.077 8.380 -3.724 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 1.011 -11.660 -11.685 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 0.581 -11.390 -10.875 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 1.921 -11.410 -11.575 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 6.294 8.482 18.552 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 5.424 8.412 18.952 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 6.814 7.802 18.982 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 19.084 6.201 16.346 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 19.384 5.311 16.516 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 18.804 6.521 17.206 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 19.689 -22.751 -23.210 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 20.489 -23.201 -23.470 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 18.989 -23.241 -23.640 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 -15.165 -10.161 6.236 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 -14.405 -10.381 6.776 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 -15.155 -10.801 5.526 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 24.025 0.537 -4.606 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 23.495 -0.183 -4.956 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 23.395 1.227 -4.416 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -11.444 18.589 2.305 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.254 19.109 2.305 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.284 18.399 3.235 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 17.236 -20.009 -0.155 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 17.286 -20.279 -1.065 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 17.886 -19.319 -0.065 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 9.303 -1.115 -9.033 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 9.773 -1.805 -9.493 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 9.823 -0.965 -8.233 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 -22.754 -23.697 18.636 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 -22.924 -22.837 18.236 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 -21.844 -23.657 18.906 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 -12.835 4.284 18.179 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 -11.995 4.654 17.899 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 -12.695 4.024 19.089 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 23.029 -19.495 16.533 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 23.069 -20.405 16.223 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 23.549 -19.495 17.333 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 -17.197 -3.937 11.072 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 -17.577 -3.857 11.952 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 -17.877 -4.387 10.562 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -10.662 9.902 13.320 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -10.142 9.192 13.700 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -10.312 10.702 13.730 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -9.695 -16.486 0.470 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -9.185 -17.286 0.280 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -9.795 -16.066 -0.380 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 23.724 17.238 -9.733 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 23.944 17.698 -10.533 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 22.984 17.738 -9.373 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 3.047 8.959 7.139 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 3.807 9.399 6.759 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 2.457 9.659 7.399 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 -1.626 10.900 4.700 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 -2.126 10.590 3.940 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 -1.706 10.190 5.330 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 3.419 -0.219 2.159 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 2.899 0.371 1.629 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 2.799 -0.609 2.769 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 1.404 -17.479 24.752 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 1.764 -16.619 24.522 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 0.454 -17.359 24.682 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -19.163 0.828 17.622 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -18.373 0.298 17.652 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -18.873 1.708 17.862 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 17.944 1.354 -16.695 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 17.874 1.934 -17.455 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 17.164 1.554 -16.175 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 -0.061 -15.021 5.710 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 0.039 -14.421 4.970 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 0.769 -15.511 5.730 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 -1.514 -7.976 -8.931 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 -2.454 -7.896 -9.101 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 -1.144 -7.146 -9.211 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 23.374 14.460 -1.685 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 23.104 14.770 -0.815 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 23.194 15.200 -2.265 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 0.867 23.156 15.337 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 0.647 24.086 15.267 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 0.037 22.736 15.547 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -12.309 -22.671 3.886 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.479 -23.111 4.056 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.089 -21.741 3.856 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 -16.964 0.655 -13.315 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 -16.144 1.105 -13.105 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 -17.404 1.235 -13.935 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 -8.131 15.616 -21.719 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 -8.311 16.446 -21.269 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 -7.281 15.736 -22.119 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 10.248 -23.980 5.835 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 9.408 -23.590 5.565 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 10.118 -24.230 6.745 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 -4.722 -0.086 3.118 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 -4.662 -0.796 2.478 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 -5.402 0.484 2.778 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 18.120 -9.201 16.155 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 18.360 -9.891 16.775 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 17.380 -8.761 16.575 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 14.198 -2.081 -6.749 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 13.998 -1.681 -7.589 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 13.398 -1.971 -6.229 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 -7.013 22.271 4.611 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 -6.083 22.331 4.821 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 -7.123 21.381 4.281 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 -5.587 1.623 0.900 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 -6.007 2.323 1.400 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 -6.107 1.573 0.090 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 7.021 -1.317 24.537 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 6.801 -0.577 25.107 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 7.411 -1.967 25.117 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 0.129 10.932 17.419 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 0.649 10.332 16.879 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 -0.641 11.122 16.889 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 19.988 12.705 23.225 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 19.388 12.065 23.605 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 20.538 12.995 23.955 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 -21.843 -23.033 13.256 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 -22.593 -22.473 13.446 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 -21.323 -22.533 12.626 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 -7.140 2.206 -11.194 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 -6.800 2.956 -10.714 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 -8.030 2.456 -11.434 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 7.724 7.644 -2.472 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 8.444 8.234 -2.252 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 7.364 7.984 -3.292 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 6.406 -10.809 -24.566 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 5.606 -10.869 -24.046 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 6.236 -10.099 -25.176 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 -0.171 -19.497 -16.673 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 -0.711 -18.737 -16.883 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 -0.491 -20.197 -17.243 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 9.987 0.810 7.276 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 10.487 0.030 7.506 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 10.137 1.410 8.006 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 -7.650 23.666 -24.829 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 -7.020 23.266 -25.429 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 -8.400 23.896 -25.379 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 -7.060 -0.820 1.779 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 -7.470 -1.640 1.499 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 -6.770 -0.410 0.959 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 2.347 -14.379 24.857 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 2.307 -14.349 23.897 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 2.257 -13.469 25.127 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 4.651 13.987 12.686 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 5.171 13.817 13.466 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 3.941 13.347 12.726 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 -0.297 4.273 -6.698 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 -0.177 3.513 -7.258 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 0.593 4.503 -6.408 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 -15.059 -24.464 -6.697 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 -14.299 -24.194 -6.177 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 -15.809 -24.044 -6.267 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 18.576 21.490 24.707 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 19.336 21.250 24.177 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 18.356 20.680 25.187 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 1.145 -20.875 14.885 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 1.185 -21.155 13.965 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 0.265 -21.125 15.165 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 4.593 -16.632 -15.906 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 4.033 -16.772 -16.676 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 4.403 -15.742 -15.636 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 -7.179 24.155 -11.339 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 -7.209 25.105 -11.439 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 -8.049 23.915 -11.019 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 8.510 9.904 -11.135 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 7.810 10.304 -11.645 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 8.360 8.964 -11.225 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 7.086 19.814 -1.087 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 6.306 20.324 -1.337 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 7.186 19.984 -0.147 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 9.481 3.276 0.632 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 9.031 4.076 0.352 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 10.101 3.576 1.302 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 -9.177 -4.516 -6.545 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 -8.767 -3.796 -6.055 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 -8.447 -5.056 -6.835 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -3.115 17.574 -1.287 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -2.195 17.324 -1.207 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -3.505 17.354 -0.437 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -0.134 -17.194 -13.373 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -0.464 -16.844 -12.553 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 0.416 -16.494 -13.733 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 9.625 -17.869 5.051 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 10.395 -17.869 5.621 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 9.755 -18.629 4.481 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 -15.407 6.385 -10.119 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 -15.837 6.885 -9.419 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 -15.937 5.585 -10.189 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -14.565 0.190 -0.178 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -13.625 0.240 -0.318 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -14.915 0.970 -0.608 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 -0.254 11.901 14.492 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 -0.234 12.481 13.732 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 0.666 11.831 14.762 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 3.611 -16.358 -4.361 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 4.401 -15.948 -4.011 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 3.881 -16.748 -5.191 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 2.370 -19.535 11.640 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 2.490 -19.235 12.540 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.220 -19.905 11.390 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -14.963 16.657 -14.725 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -14.493 16.797 -13.905 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -14.503 15.917 -15.135 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -21.139 -21.626 10.733 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -21.159 -20.686 10.883 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -21.479 -21.736 9.843 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 24.310 -5.235 21.559 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 24.770 -4.425 21.749 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 23.450 -5.125 21.959 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -6.426 13.945 12.879 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -5.956 14.595 13.409 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -5.786 13.255 12.709 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 1.821 -22.928 -2.439 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 1.331 -22.108 -2.289 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 1.481 -23.538 -1.789 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -7.375 -17.800 24.481 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -7.945 -18.310 25.061 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -7.365 -16.930 24.861 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 23.424 2.800 -3.261 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 22.694 2.340 -2.861 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 23.954 3.100 -2.521 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 -13.881 11.461 24.057 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 -13.891 10.541 24.327 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 -14.621 11.541 23.447 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -13.356 -11.887 23.986 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -14.296 -11.967 23.816 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -12.966 -12.607 23.496 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 13.784 3.885 -6.578 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 14.064 3.075 -7.008 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 13.954 4.575 -7.228 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -17.932 -11.337 1.612 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -18.392 -11.237 2.442 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -17.112 -10.877 1.732 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 2.636 16.561 13.902 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 2.636 17.011 13.062 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 3.466 16.801 14.312 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 11.177 -13.900 24.769 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 10.807 -14.160 23.919 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 11.667 -13.100 24.579 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 2.473 -5.819 -20.521 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.683 -6.419 -21.231 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 2.073 -5.069 -20.951 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 0.984 2.509 -24.891 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 1.284 1.759 -24.381 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 1.474 3.249 -24.531 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 4.534 -10.902 7.801 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 4.324 -11.752 8.181 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 5.334 -10.632 8.231 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -19.954 -22.959 17.446 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -20.524 -22.189 17.516 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -19.124 -22.679 17.826 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -24.422 5.371 15.326 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -24.852 6.041 14.796 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -24.402 4.601 14.766 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -25.376 6.585 9.576 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -25.176 5.715 9.236 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -24.526 6.935 9.856 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 4.198 3.599 -24.331 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 4.238 3.569 -25.291 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 4.558 4.459 -24.101 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 3.554 -20.838 -24.219 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 3.684 -21.778 -24.299 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 2.704 -20.678 -24.629 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 17.805 16.542 12.853 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 18.005 15.622 12.703 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 18.655 16.972 12.893 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 18.638 -8.741 23.162 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 19.238 -8.921 22.432 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 17.998 -8.121 22.802 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 17.585 -23.416 17.422 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 17.515 -24.216 16.902 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 16.695 -23.076 17.472 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -12.696 1.390 17.259 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -12.166 1.690 16.519 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -13.346 2.090 17.389 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 19.888 -12.730 -11.895 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 19.698 -12.750 -10.955 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 20.128 -13.630 -12.105 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 17.353 18.749 -2.975 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 17.543 19.369 -3.685 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 17.593 19.209 -2.175 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 -8.950 21.222 -2.098 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 -9.140 22.082 -2.468 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 -7.990 21.172 -2.058 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 17.976 -23.759 8.405 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 18.406 -23.809 9.255 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 17.976 -22.829 8.195 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 19.645 -21.898 15.865 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 18.915 -22.058 15.275 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 19.745 -22.718 16.355 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 -11.680 -17.162 23.307 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 -11.850 -17.822 22.637 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 -11.330 -17.662 24.047 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 -23.462 15.133 -24.128 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 -24.282 15.583 -23.918 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 -23.052 15.663 -24.808 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 6.197 15.458 20.082 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 6.997 15.328 19.582 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 6.327 14.958 20.882 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -6.043 -14.458 8.146 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -5.303 -14.938 7.756 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -6.783 -14.668 7.586 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -12.009 -24.667 10.302 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -12.679 -24.557 10.972 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -11.299 -24.097 10.572 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -15.751 11.471 22.136 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -16.381 11.681 21.446 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -15.051 12.121 22.036 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -20.731 -5.656 -9.368 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -21.581 -5.606 -9.808 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -20.931 -5.486 -8.438 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 -18.726 -9.005 13.521 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 -18.906 -9.875 13.141 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 -18.676 -9.165 14.461 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -7.223 -0.845 9.314 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -7.563 -1.195 8.484 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -7.943 -0.345 9.674 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -17.471 23.438 4.294 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -16.661 23.188 3.864 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -17.281 24.288 4.684 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -19.913 -13.080 -8.514 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -19.523 -13.720 -7.904 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -20.803 -13.410 -8.654 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 -10.045 4.542 24.363 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 -10.465 3.702 24.543 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 -9.665 4.812 25.203 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 1.198 13.484 5.151 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 0.298 13.494 5.471 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 1.148 13.874 4.281 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 15.960 -0.389 -18.558 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 15.610 0.401 -18.968 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 16.750 -0.099 -18.098 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.725 21.286 -16.851 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 16.975 20.426 -16.541 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.765 21.846 -16.071 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -22.887 -23.805 -2.061 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -23.807 -23.865 -2.331 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -22.557 -23.025 -2.491 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 23.805 7.511 -9.410 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 23.915 6.571 -9.580 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 23.705 7.901 -10.280 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -11.709 -9.493 -22.065 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -11.179 -8.693 -22.115 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -11.159 -10.153 -22.485 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 -6.769 -17.272 2.035 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 -7.679 -17.122 2.285 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 -6.609 -18.192 2.235 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -17.530 -15.319 -9.702 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -18.330 -15.789 -9.902 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -17.810 -14.549 -9.222 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 -10.767 -10.215 18.239 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 -10.337 -9.415 18.539 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 -10.097 -10.895 18.289 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 -12.542 19.030 -24.483 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 -13.022 18.630 -25.203 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 -12.082 19.780 -24.873 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -18.551 11.614 22.199 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -18.541 10.654 22.209 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -18.151 11.854 21.359 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -17.135 -22.058 -15.613 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -17.495 -21.988 -16.503 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -16.295 -22.488 -15.733 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 -16.390 3.459 -6.965 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 -17.270 3.379 -6.595 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 -16.210 2.589 -7.305 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 4.073 21.993 -22.691 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 4.793 21.383 -22.531 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 4.493 22.783 -23.021 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 -11.016 24.812 5.822 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 -10.466 25.342 6.392 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 -10.696 23.922 5.942 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 16.708 -18.609 -18.975 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 17.288 -18.439 -18.235 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 15.848 -18.299 -18.675 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 12.636 4.489 20.959 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 12.776 3.549 20.949 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 12.376 4.709 20.069 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 -22.893 9.977 -12.304 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 -22.383 10.757 -12.504 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 -23.673 10.307 -11.854 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 24.570 8.860 -2.639 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 25.460 9.110 -2.889 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 24.650 7.960 -2.319 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 6.463 -6.365 16.386 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 6.113 -5.485 16.476 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 6.533 -6.695 17.286 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 2.085 13.938 24.682 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 1.935 14.708 25.232 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 2.405 14.288 23.852 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 18.603 -12.126 8.545 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 19.483 -12.166 8.935 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 18.373 -13.046 8.395 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 23.971 -12.661 2.056 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 23.781 -13.511 2.446 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 24.441 -12.181 2.746 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 14.478 -10.035 -10.289 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.248 -10.095 -11.219 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.828 -9.425 -9.929 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -15.953 -11.439 -24.271 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -15.383 -12.149 -23.971 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -15.423 -10.649 -24.141 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 8.285 -17.144 -10.369 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 7.575 -17.634 -9.949 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 8.725 -16.694 -9.649 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 -22.292 9.791 20.962 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 -22.092 10.381 21.692 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 -21.432 9.501 20.652 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 -5.562 22.504 -13.908 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 -4.862 22.944 -14.408 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 -5.582 22.974 -13.068 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -15.907 0.423 10.146 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -16.207 -0.447 10.386 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -15.737 0.373 9.206 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 8.015 -17.649 -6.625 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 8.415 -18.219 -7.285 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 8.535 -17.789 -5.835 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -22.023 -14.930 -9.035 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -22.473 -14.800 -8.205 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -21.213 -15.370 -8.805 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 17.295 -25.042 6.052 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 17.565 -24.472 6.762 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 16.335 -24.942 6.022 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 7.437 1.231 19.209 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 6.837 1.851 19.619 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 7.597 1.591 18.339 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -24.813 6.190 -12.214 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -24.173 6.180 -11.504 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -24.523 5.490 -12.804 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 13.983 -4.991 -6.013 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 14.343 -4.141 -6.303 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 14.463 -5.641 -6.533 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 -24.343 -4.531 13.003 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 -25.223 -4.601 12.633 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 -24.453 -4.771 13.923 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 20.107 -21.446 19.558 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 20.817 -20.836 19.388 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 20.087 -22.016 18.788 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -5.684 -11.261 19.732 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.524 -11.161 20.172 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -5.354 -10.361 19.632 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 -20.395 -22.769 -16.858 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 -21.195 -22.609 -17.348 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 -19.965 -23.489 -17.328 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 -20.159 -0.615 6.055 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 -20.259 -0.335 5.145 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 -19.379 -1.175 6.045 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 -21.126 -23.709 21.938 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 -20.696 -24.569 21.958 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 -20.556 -23.169 21.388 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 -16.443 19.673 20.342 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 -15.983 19.953 19.552 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 -15.813 19.123 20.812 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.798 18.258 -5.730 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 14.558 17.618 -5.060 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 15.608 17.908 -6.100 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 -10.692 -22.248 6.538 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 -10.132 -21.948 7.248 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 -11.292 -21.528 6.378 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 13.160 -24.391 10.649 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 12.950 -23.941 9.829 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 12.760 -25.251 10.569 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -4.995 22.789 8.442 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -4.495 23.389 9.002 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -5.305 22.109 9.042 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 -15.549 -4.750 -12.028 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 -15.189 -5.550 -12.388 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 -15.789 -4.220 -12.788 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 17.280 -21.402 -12.945 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 16.890 -20.592 -12.615 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 18.200 -21.182 -13.105 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 22.854 -19.688 -16.857 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 23.204 -20.248 -17.547 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 22.924 -20.208 -16.057 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 -15.140 -23.070 -13.214 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 -14.490 -23.490 -12.644 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 -15.010 -22.130 -13.084 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 6.097 21.685 -18.144 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 5.957 21.875 -19.064 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 5.237 21.775 -17.744 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -5.177 12.769 21.305 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -4.767 13.089 22.115 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -5.157 13.519 20.715 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -6.215 -21.895 16.943 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -6.235 -21.455 16.093 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -6.995 -21.575 17.393 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 4.710 -20.184 -0.897 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 3.890 -20.364 -1.357 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 4.470 -19.574 -0.197 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 21.313 -13.946 1.835 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 21.783 -14.766 2.015 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 21.803 -13.276 2.315 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 9.793 15.404 -6.269 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 9.763 15.204 -7.199 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 9.053 15.994 -6.129 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 -2.107 -10.803 -2.854 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 -2.077 -9.853 -3.014 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 -2.457 -10.883 -1.974 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -2.250 14.932 -6.862 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -3.140 15.042 -6.522 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -1.710 15.452 -6.272 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 22.067 22.151 -21.341 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 22.457 21.311 -21.581 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 22.157 22.191 -20.391 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 4.670 -16.690 1.237 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 5.540 -16.440 1.527 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 4.120 -16.600 2.017 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 24.748 -20.213 7.441 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 24.388 -21.093 7.341 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 25.058 -20.183 8.341 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 23.616 -6.489 16.306 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 23.256 -5.879 15.666 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 23.556 -6.019 17.146 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 -16.150 7.232 20.765 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 -16.930 7.442 21.285 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 -15.470 7.052 21.415 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 10.255 -22.987 -20.796 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 11.065 -22.537 -20.556 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 10.425 -23.907 -20.606 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 -24.176 -22.215 24.156 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 -24.186 -21.425 24.686 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 -24.976 -22.675 24.396 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 13.631 22.137 9.659 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 14.121 21.397 9.319 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 14.291 22.717 10.039 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -15.183 -16.898 -7.208 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -15.333 -16.838 -8.158 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -15.403 -16.028 -6.878 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.577 13.174 6.100 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 7.867 13.124 7.010 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 6.837 13.784 6.110 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 10.361 11.252 -13.286 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 10.721 11.782 -12.576 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 10.441 10.342 -12.976 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 -22.101 -11.227 -10.891 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 -21.791 -12.027 -10.461 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 -22.431 -11.517 -11.741 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 12.997 7.124 -3.345 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 13.807 7.604 -3.215 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 12.387 7.504 -2.715 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 25.133 -13.917 -14.834 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 25.373 -13.887 -15.764 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 24.193 -14.087 -14.824 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 -6.846 -10.141 15.981 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 -6.026 -10.521 16.321 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 -6.856 -9.251 16.311 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 -16.564 8.436 -24.649 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 -16.484 8.606 -25.589 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 -17.484 8.216 -24.529 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -15.253 -12.103 21.107 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -14.653 -11.363 21.247 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -15.643 -12.263 21.957 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 -5.684 -20.809 -10.356 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 -6.134 -20.669 -11.196 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 -5.044 -20.099 -10.306 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 20.115 -21.019 12.925 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 19.295 -21.379 12.585 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 20.035 -20.079 12.805 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 18.875 -14.825 -18.110 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 18.885 -15.045 -19.040 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 19.795 -14.745 -17.870 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 19.267 -7.353 1.208 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 18.397 -7.203 0.828 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 19.507 -6.503 1.578 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 8.895 17.053 11.275 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 8.605 17.933 11.535 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 8.165 16.483 11.495 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 8.023 12.085 -0.144 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 7.513 12.145 0.656 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 8.813 12.615 0.026 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 -21.369 9.485 15.881 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 -21.999 10.075 16.301 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 -20.599 9.515 16.441 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 -16.370 -17.743 3.985 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 -16.830 -16.913 3.895 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 -15.610 -17.543 4.525 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 13.279 15.050 13.245 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 13.299 15.290 12.315 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 12.449 14.590 13.355 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 3.486 18.760 -12.731 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 4.356 18.380 -12.581 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 3.396 18.780 -13.681 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 -23.705 -14.267 -6.544 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 -23.985 -14.157 -5.634 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 -24.035 -15.127 -6.794 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -3.635 -7.693 2.345 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -3.485 -8.643 2.345 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -3.095 -7.373 1.625 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 -20.894 -10.232 1.301 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 -21.314 -10.642 0.551 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 -21.574 -10.212 1.971 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -17.412 -13.189 16.609 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -17.682 -12.489 17.199 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -17.132 -12.729 15.809 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -10.409 14.593 19.709 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -11.229 14.513 19.219 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -9.909 13.813 19.479 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 -11.873 13.614 10.591 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 -10.993 13.624 10.971 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 -12.043 12.684 10.431 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 6.996 16.752 -0.445 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 7.566 17.022 -1.175 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 7.496 16.972 0.335 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 3.726 -23.498 -24.283 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 4.606 -23.488 -24.643 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 3.166 -23.748 -25.013 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 -24.379 -12.196 -20.193 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 -23.849 -12.896 -20.563 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 -23.879 -11.396 -20.373 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 0.816 24.896 -24.988 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 0.286 24.966 -24.188 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 0.236 24.486 -25.628 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 -12.372 -7.170 -20.543 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 -12.462 -7.840 -21.223 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 -12.432 -6.340 -21.023 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -1.865 -7.935 -3.665 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -1.595 -7.895 -4.585 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -2.705 -7.485 -3.645 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 22.240 4.040 14.862 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 22.060 4.890 15.262 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 21.560 3.460 15.202 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 -9.544 -22.680 22.026 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 -8.614 -22.900 22.016 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 -9.744 -22.530 22.946 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 -20.047 5.881 5.770 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 -19.887 5.161 6.370 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 -19.877 6.671 6.290 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 16.886 19.325 -12.573 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 16.046 19.765 -12.423 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 16.706 18.405 -12.363 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 23.665 -8.646 8.456 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 24.515 -8.386 8.106 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 23.445 -9.456 7.986 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 -18.914 23.011 -17.300 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 -18.154 23.431 -16.880 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 -19.304 23.701 -17.840 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -9.589 19.765 -21.452 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -9.959 20.635 -21.592 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -8.699 19.825 -21.812 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 17.427 -10.937 25.125 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 17.747 -10.077 24.845 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 16.977 -11.287 24.355 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 -12.496 11.100 -23.279 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 -11.846 11.080 -23.979 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 -12.046 10.730 -22.519 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 1.297 -10.143 22.703 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 1.327 -10.243 23.653 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 0.427 -10.443 22.453 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 21.508 19.425 -2.353 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 20.848 20.095 -2.173 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 21.358 18.755 -1.683 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -16.335 -1.032 5.154 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -16.845 -1.292 4.384 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -15.425 -1.252 4.924 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 23.011 24.990 12.447 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 23.671 24.660 13.057 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 23.451 24.970 11.587 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 25.598 12.437 18.267 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 24.768 11.987 18.097 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 25.388 13.067 18.957 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 1.701 -10.535 -18.135 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 1.521 -9.605 -18.025 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 2.651 -10.615 -18.075 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 20.373 -19.742 -23.368 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 19.893 -19.122 -22.818 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 19.943 -20.582 -23.218 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -5.666 4.756 -17.600 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -4.796 4.376 -17.480 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -5.886 4.566 -18.510 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -14.084 17.854 11.979 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -14.144 18.234 12.859 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -14.404 18.544 11.399 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 14.307 -16.464 19.786 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 14.737 -15.804 20.326 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 14.707 -16.374 18.926 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 10.541 -10.699 15.139 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 10.581 -11.199 15.959 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 10.391 -11.349 14.459 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 9.439 10.170 2.829 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 8.929 10.960 2.999 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 10.309 10.360 3.189 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -9.362 -20.803 -19.608 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -9.962 -21.493 -19.298 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -9.932 -20.063 -19.788 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 22.178 12.968 12.292 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 22.278 12.538 13.142 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 22.668 12.418 11.682 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 11.410 -12.804 -1.940 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 11.450 -11.854 -1.800 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 11.320 -12.914 -2.880 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 -10.544 -4.284 -15.464 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 -9.684 -4.234 -15.044 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 -10.454 -3.744 -16.254 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -17.241 10.948 -2.676 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -18.051 10.978 -2.166 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -16.591 10.588 -2.066 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 9.213 15.855 1.395 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 8.763 16.345 2.095 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 10.053 15.615 1.785 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 3.518 -2.380 -15.731 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 4.238 -1.750 -15.691 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 2.928 -2.040 -16.401 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -3.131 5.506 15.989 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -3.591 6.336 16.159 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.011 5.486 15.039 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 -3.450 -18.557 -7.115 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 -2.930 -18.477 -6.315 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 -4.090 -19.237 -6.925 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 19.561 4.492 -5.428 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 20.251 5.152 -5.328 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 18.751 5.002 -5.528 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 -19.462 -18.250 2.955 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 -19.282 -18.180 3.895 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 -20.082 -17.540 2.775 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 -25.127 -17.833 5.429 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 -25.187 -18.463 6.139 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 -24.417 -17.243 5.679 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 16.721 15.724 17.012 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 16.881 15.524 16.092 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 16.001 16.364 17.002 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 19.335 -3.580 -3.756 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 19.875 -4.120 -3.166 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 19.945 -2.950 -4.126 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 -4.810 -11.238 2.814 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 -3.940 -10.928 2.564 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 -4.910 -10.978 3.724 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 3.033 -23.437 14.268 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 2.403 -23.557 13.558 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 3.883 -23.647 13.868 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 3.753 -11.773 -11.622 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 4.273 -12.563 -11.782 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 3.733 -11.323 -12.472 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -15.161 5.759 -24.466 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -14.481 6.419 -24.616 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -15.981 6.249 -24.466 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 -14.780 -16.218 18.799 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 -14.450 -16.928 19.359 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 -15.670 -16.048 19.119 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 0.685 5.705 22.345 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 -0.035 6.305 22.555 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 0.265 4.845 22.295 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 5.169 21.139 -11.861 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 4.929 20.229 -12.051 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 4.549 21.409 -11.181 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 -12.338 -9.358 -15.976 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 -12.659 -8.598 -15.496 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 -12.539 -9.168 -16.896 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 13.691 24.992 -10.588 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 14.521 25.392 -10.348 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 13.891 24.072 -10.738 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 17.485 0.083 3.130 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 18.205 0.243 3.740 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 17.885 -0.427 2.430 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 13.993 -7.160 7.539 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 14.043 -6.370 8.079 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 13.083 -7.450 7.609 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -20.936 14.617 24.686 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -21.246 13.947 24.076 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -21.446 14.487 25.476 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 -19.457 -18.028 -7.364 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 -19.987 -18.598 -6.804 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 -18.587 -18.438 -7.354 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 0.829 -21.658 7.425 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 0.089 -21.448 7.975 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 0.899 -20.918 6.815 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 -22.635 -22.970 -23.947 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 -23.325 -22.630 -23.377 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 -22.815 -23.900 -24.017 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 18.224 -17.153 3.436 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 18.514 -17.073 2.526 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 17.284 -17.303 3.366 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 1.724 7.795 -2.275 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 2.044 6.895 -2.265 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 0.994 7.785 -1.655 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 1.775 12.988 -0.305 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 2.445 13.668 -0.325 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 1.185 13.248 0.395 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 -14.413 -2.890 4.497 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 -13.653 -2.870 3.907 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 -15.103 -3.310 3.997 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 -19.167 -7.006 17.045 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 -19.477 -6.456 16.325 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 -19.687 -6.726 17.795 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 20.563 -2.122 22.271 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 19.783 -2.672 22.281 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 20.253 -1.262 22.571 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 2.833 -23.162 -7.338 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 3.563 -22.882 -6.798 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 3.053 -22.852 -8.218 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 18.529 11.151 -23.900 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 19.059 11.841 -23.510 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 18.669 10.391 -23.340 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 13.958 -13.894 -14.161 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 13.888 -14.654 -13.591 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 14.178 -14.264 -15.021 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 3.565 22.344 16.061 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 3.055 23.024 15.601 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 3.055 22.164 16.841 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 10.760 24.683 -22.500 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 10.140 24.223 -23.080 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 11.010 25.463 -22.990 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 22.170 -23.991 -24.178 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 22.770 -24.571 -24.658 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 22.080 -24.391 -23.318 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 6.609 10.002 -19.482 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 7.159 10.732 -19.742 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 6.319 10.222 -18.602 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 12.715 21.649 2.883 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 11.935 22.179 2.763 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 12.765 21.109 2.093 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 -7.592 9.535 8.331 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 -8.472 9.655 8.691 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 -7.692 8.865 7.661 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 17.777 -9.950 10.510 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 17.197 -10.590 10.100 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 18.427 -9.760 9.830 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -15.883 17.031 -17.255 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.053 16.371 -17.925 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -15.583 16.531 -16.495 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -24.031 -1.400 14.203 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -24.151 -1.510 13.263 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -23.201 -1.840 14.393 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 -18.032 -3.561 -19.399 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 -17.762 -3.861 -18.529 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 -18.712 -4.171 -19.659 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 3.668 15.040 22.285 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 2.918 14.670 21.815 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 4.358 14.390 22.175 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 19.525 -19.450 -13.593 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 19.785 -19.720 -14.473 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 20.335 -19.120 -13.203 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 -14.675 -7.201 9.914 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 -14.275 -7.151 10.784 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 -14.975 -8.111 9.834 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 5.744 10.164 -0.935 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 5.604 10.294 -0.005 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 6.694 10.194 -1.045 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 15.330 -18.821 22.939 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 14.510 -19.291 22.819 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 15.640 -18.621 22.059 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 7.160 16.229 15.059 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 6.400 15.659 14.939 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 6.820 17.119 14.919 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.309 11.263 17.037 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 10.729 10.983 17.747 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 12.189 11.243 17.417 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 21.633 -20.461 5.345 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 22.113 -21.211 5.705 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 22.193 -19.701 5.555 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 17.759 2.071 -20.213 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 17.409 1.481 -20.883 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 18.279 2.711 -20.703 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 -21.736 8.041 -6.343 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 -22.176 8.751 -6.813 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 -20.846 8.031 -6.703 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 8.080 12.594 3.230 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 7.970 13.354 3.800 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 7.280 12.084 3.350 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 14.857 -2.515 4.886 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 13.937 -2.615 4.616 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 14.807 -2.315 5.816 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 12.235 18.306 2.801 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 12.535 18.666 3.641 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 12.025 17.396 2.991 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 1.546 17.395 16.485 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 0.636 17.225 16.265 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 2.036 16.965 15.785 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 11.336 7.407 -11.928 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 12.206 7.617 -12.258 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 11.286 6.447 -11.968 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -6.474 5.984 15.901 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -7.424 5.854 15.901 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -6.314 6.674 15.261 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 12.290 19.910 19.336 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 11.710 20.260 20.016 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 12.990 19.480 19.826 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 -21.387 -19.609 -24.338 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 -21.587 -18.969 -25.018 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 -21.947 -19.369 -23.598 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 19.784 -23.231 10.729 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 19.544 -22.401 10.339 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 20.644 -23.071 11.129 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 9.250 -6.994 -7.119 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 9.370 -6.834 -6.179 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 8.790 -7.834 -7.149 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -19.499 -7.117 -6.091 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -19.319 -7.147 -5.151 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -20.449 -7.077 -6.151 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 13.205 -5.259 19.671 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 13.625 -5.349 18.811 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 12.395 -4.769 19.501 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 0.667 -12.845 3.929 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -0.153 -12.855 3.449 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 0.597 -12.105 4.529 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 23.241 23.303 -23.594 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 22.561 23.913 -23.904 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 22.791 22.753 -22.954 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 23.664 22.542 -8.889 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 23.514 23.382 -9.319 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 23.074 21.932 -9.339 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 -4.353 0.811 -2.668 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 -3.893 0.841 -1.828 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 -3.913 1.471 -3.208 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 -15.350 14.242 17.439 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 -14.560 14.022 16.939 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 -16.030 13.692 17.059 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 8.680 5.086 -24.351 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 9.120 4.246 -24.231 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 9.230 5.556 -24.981 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 16.969 -13.551 24.262 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 17.159 -12.841 24.872 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 16.899 -14.321 24.812 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 7.373 -21.682 -16.381 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 6.983 -20.862 -16.681 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 6.653 -22.312 -16.441 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 21.649 11.705 5.110 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 20.819 11.295 5.340 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 22.089 11.855 5.950 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 23.868 13.091 20.259 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 23.608 12.251 20.619 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 23.238 13.721 20.619 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 -2.211 2.710 12.735 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 -2.871 2.070 12.475 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 -2.351 2.830 13.675 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 0.860 -0.445 -15.285 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 1.510 0.255 -15.365 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 0.790 -0.815 -16.175 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 21.533 14.397 20.745 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 20.933 14.347 19.995 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 21.433 13.557 21.185 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 0.540 -3.829 -1.509 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 0.450 -4.759 -1.269 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 -0.240 -3.649 -2.049 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -24.417 3.401 9.183 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -23.977 3.301 8.343 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -24.007 2.751 9.753 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 24.343 7.257 14.396 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 24.063 7.887 15.066 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 25.223 7.547 14.136 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.716 20.379 6.326 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 11.416 19.839 7.056 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.436 19.879 5.946 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.565 18.144 13.488 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.225 17.414 12.968 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.805 18.804 12.838 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.799 1.913 -15.028 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -18.909 1.933 -15.978 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.459 2.523 -14.688 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -5.756 1.291 -23.525 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -6.566 0.951 -23.895 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -5.836 2.241 -23.615 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -6.402 20.056 15.986 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -7.112 20.566 16.376 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -6.222 19.366 16.626 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -19.140 21.730 13.641 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -19.580 22.550 13.871 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -19.700 21.050 14.011 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 1.374 0.301 22.072 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 1.644 1.191 22.312 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 1.124 0.371 21.152 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -6.115 -13.430 21.276 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -5.265 -13.490 21.706 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -5.995 -12.770 20.586 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 -6.273 -17.208 -13.790 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 -6.913 -17.048 -14.480 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 -6.793 -17.368 -13.010 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 21.805 4.753 9.520 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 21.465 5.273 8.790 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 22.745 4.723 9.370 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 7.447 3.534 -2.603 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 7.087 3.554 -3.483 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 7.987 2.744 -2.583 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 9.094 14.203 -23.914 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 9.924 14.223 -23.434 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 8.874 15.123 -24.054 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 9.643 -14.983 -18.508 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 10.153 -14.473 -17.878 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 9.113 -15.563 -17.968 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 21.335 21.489 4.117 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 20.745 22.069 3.627 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 22.205 21.729 3.797 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -0.093 15.262 23.084 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -0.213 15.722 22.254 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 0.767 14.852 23.014 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 22.148 -9.013 13.979 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 22.488 -9.893 14.149 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 22.928 -8.473 13.849 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 -12.313 21.000 -6.818 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 -12.053 20.910 -7.738 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 -12.783 20.190 -6.618 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 2.391 -17.183 4.962 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 1.751 -17.763 4.552 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 3.221 -17.423 4.562 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -21.531 9.831 -8.654 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -21.971 10.681 -8.714 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -21.401 9.561 -9.554 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 -19.501 12.817 16.332 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 -19.261 13.687 16.022 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 -20.441 12.747 16.132 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 -9.232 -2.782 -4.055 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 -8.352 -3.112 -3.875 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 -9.812 -3.372 -3.575 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -24.885 4.787 20.997 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -25.125 5.687 21.197 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -24.185 4.867 20.357 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 -16.321 -13.446 -17.780 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 -15.711 -13.816 -17.150 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 -17.001 -13.036 -17.250 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 -12.715 7.139 -25.076 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 -11.775 7.159 -25.256 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 -12.795 7.429 -24.166 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 -20.535 12.573 -22.811 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 -20.395 13.043 -23.641 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 -19.955 12.993 -22.191 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 11.994 15.298 -19.274 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 12.614 15.958 -18.974 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 11.344 15.238 -18.564 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 20.964 23.663 2.542 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 21.654 23.743 3.192 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 20.564 24.533 2.522 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 -5.791 15.444 15.650 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 -5.821 15.014 16.500 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 -6.291 16.254 15.770 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -0.907 18.864 -10.493 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -0.667 18.104 -9.963 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -1.787 18.664 -10.813 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -2.343 1.188 8.005 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -3.233 0.848 8.145 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -2.303 1.358 7.065 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 4.820 14.038 1.635 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 5.270 14.528 2.325 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 4.830 14.628 0.885 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -0.571 -2.040 4.660 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -0.431 -1.150 5.010 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 0.159 -2.180 4.060 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -2.563 1.532 -13.120 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -3.403 1.342 -13.530 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -2.033 0.762 -13.300 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 1.945 -11.428 -21.151 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 1.885 -12.048 -21.871 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 1.175 -11.608 -20.611 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 -9.849 10.375 -2.315 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 -10.399 11.145 -2.475 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 -9.879 9.885 -3.145 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -7.055 18.228 -22.887 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -7.665 18.028 -23.587 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -6.905 19.168 -22.957 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -21.292 -9.435 7.192 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -21.952 -8.805 6.902 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -20.562 -9.305 6.582 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 -5.840 9.839 -16.300 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 -5.950 9.749 -15.360 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 -6.650 9.499 -16.670 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 -3.954 14.820 9.812 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 -4.174 15.110 8.932 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 -3.084 14.430 9.722 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.094 17.409 19.078 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -10.474 16.949 18.518 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.954 17.219 18.688 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -6.202 19.723 13.023 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -6.402 19.793 13.953 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -7.042 19.863 12.583 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 -13.467 -20.536 -4.358 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 -12.717 -20.696 -3.778 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 -13.427 -21.236 -4.998 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -17.560 -24.504 5.753 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -18.210 -24.474 5.053 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -16.810 -24.004 5.403 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 24.533 8.882 16.681 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 25.343 8.672 17.131 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 24.033 9.402 17.311 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 17.484 18.389 24.606 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 17.304 17.479 24.876 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 16.744 18.889 24.956 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 -8.559 0.171 -3.341 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 -7.669 -0.139 -3.181 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 -9.069 -0.629 -3.471 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 -13.535 -14.978 3.433 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 -12.905 -15.508 2.933 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 -13.595 -15.418 4.273 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 16.190 -0.805 -13.375 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 15.740 -0.895 -12.535 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 15.510 -0.545 -13.995 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 -2.839 20.503 -8.762 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 -2.229 19.803 -9.012 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 -2.999 20.363 -7.832 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 21.611 9.299 -20.488 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 22.311 9.599 -19.898 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 22.071 8.829 -21.178 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 11.751 -14.427 0.150 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 11.271 -14.007 -0.570 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 12.111 -13.707 0.660 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -10.806 1.519 -24.574 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -11.586 1.139 -24.984 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -10.746 1.089 -23.724 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 -23.066 21.854 -21.705 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 -22.226 21.944 -22.155 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 -22.866 22.024 -20.785 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 17.948 -16.994 14.972 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 17.608 -17.814 15.312 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 18.538 -16.684 15.652 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 -13.371 -16.961 0.939 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 -12.621 -17.001 0.349 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 -14.071 -17.421 0.469 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 -16.295 -9.597 11.071 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 -16.925 -10.227 11.421 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 -16.835 -8.867 10.761 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 19.486 -14.578 -7.601 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 19.656 -13.698 -7.271 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 19.036 -14.448 -8.431 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 13.276 -15.428 6.121 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 13.566 -14.518 6.061 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 13.476 -15.808 5.271 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 3.566 5.646 12.015 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 2.836 6.256 12.115 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 4.036 5.956 11.235 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -19.245 11.268 -5.870 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -20.095 11.628 -5.610 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -19.435 10.748 -6.650 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -18.366 -7.315 -3.293 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -17.956 -8.145 -3.553 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -18.026 -7.145 -2.413 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 -17.005 3.763 22.043 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 -17.245 4.653 21.793 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 -16.735 3.843 22.963 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 12.586 -17.977 -12.541 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 11.896 -17.387 -12.221 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 12.116 -18.657 -13.011 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 12.688 17.930 -19.338 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 12.338 17.820 -20.218 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 13.478 18.470 -19.458 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -23.930 15.178 17.548 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -24.480 15.218 18.328 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -23.090 15.548 17.838 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 4.517 -7.432 -4.611 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 5.087 -7.322 -3.851 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 5.077 -7.842 -5.271 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 14.638 14.043 16.667 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 14.278 13.653 15.867 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 15.478 14.413 16.397 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 16.757 11.009 -1.015 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 17.217 10.349 -1.545 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 17.437 11.639 -0.795 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 18.784 18.217 -21.878 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 19.264 18.697 -22.558 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 19.384 18.197 -21.128 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 2.077 -19.022 -11.317 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 1.497 -18.362 -11.707 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 2.907 -18.562 -11.187 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 11.467 -11.784 10.581 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 12.217 -11.344 10.981 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 11.607 -12.714 10.771 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 0.478 -4.325 15.902 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 0.348 -4.975 16.592 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 0.148 -3.515 16.272 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 6.332 20.492 -22.413 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 6.023 19.592 -22.363 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 6.873 20.522 -23.193 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 3.378 18.407 22.669 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 2.428 18.317 22.699 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 3.698 17.587 22.299 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 1.451 -23.125 24.681 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 1.091 -22.585 25.381 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 1.091 -23.995 24.831 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 -12.655 22.265 4.100 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 -12.385 23.045 3.620 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 -13.535 22.075 3.790 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.386 -12.266 11.356 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -21.556 -13.166 11.066 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -20.476 -12.266 11.636 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.460 23.202 -18.045 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -7.540 22.982 -17.855 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.420 24.062 -18.455 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 4.684 -14.107 -22.698 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 4.894 -13.757 -23.558 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 4.624 -15.047 -22.828 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 24.427 7.099 5.536 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 23.767 7.179 4.846 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 24.837 6.249 5.386 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -2.604 -22.627 -24.404 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -2.834 -21.697 -24.334 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -2.814 -22.857 -25.314 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -5.645 -22.507 -8.333 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -5.045 -22.197 -7.653 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -5.455 -21.957 -9.093 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 -22.320 10.996 17.975 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 -22.890 10.346 18.375 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 -22.810 11.816 18.025 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -10.799 9.570 19.242 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -9.979 9.570 18.762 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -10.879 10.460 19.572 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 21.867 -2.487 9.808 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 22.207 -3.157 9.208 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 22.167 -2.757 10.678 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -14.153 -9.665 -23.558 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -13.593 -10.015 -22.858 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -13.733 -9.955 -24.368 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -21.426 -7.598 0.770 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -21.476 -8.518 1.030 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -21.136 -7.618 -0.140 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 4.540 18.615 -4.213 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 4.060 19.305 -4.673 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 5.080 18.205 -4.893 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 13.035 24.394 -6.085 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 13.645 24.064 -5.425 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 13.195 25.334 -6.105 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -20.647 -16.312 -1.884 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -20.057 -16.372 -2.644 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -20.847 -15.382 -1.804 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 -13.547 16.059 16.516 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 -14.207 15.849 17.176 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 -12.877 15.379 16.616 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 -4.705 19.985 -18.048 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 -4.025 19.695 -18.668 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 -4.945 19.185 -17.578 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 8.524 9.081 5.839 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 8.104 8.241 6.039 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 9.284 8.851 5.299 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 16.179 15.964 -6.370 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 17.119 16.114 -6.280 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 16.069 15.644 -7.270 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 -14.716 20.986 13.514 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 -14.866 21.896 13.764 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 -14.486 21.026 12.584 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 6.173 17.021 -6.303 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 6.733 17.081 -5.533 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 6.593 17.571 -6.953 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 -14.560 0.531 2.721 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 -14.280 1.061 1.981 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 -13.810 -0.049 2.901 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 -2.634 -20.645 14.326 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 -2.444 -21.525 14.646 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 -3.564 -20.515 14.526 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 -17.275 4.230 -20.994 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 -16.485 4.020 -21.494 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 -16.945 4.680 -20.214 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 -22.165 16.677 7.502 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 -22.625 16.617 8.332 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 -21.735 15.827 7.402 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 -23.220 17.920 -20.395 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 -23.090 17.080 -19.955 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 -22.780 17.810 -21.235 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 -11.435 -22.349 -2.866 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 -10.845 -22.369 -2.116 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 -10.935 -22.729 -3.586 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 17.481 -15.026 -13.508 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 17.111 -14.146 -13.408 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 18.031 -15.146 -12.728 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -18.249 20.633 6.189 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -18.509 21.183 5.449 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -17.369 20.333 5.959 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 4.344 22.489 2.961 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 5.014 23.109 3.241 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 4.534 21.679 3.441 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 -15.729 -2.455 22.827 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 -15.019 -2.565 22.197 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 -16.499 -2.285 22.287 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 13.503 -23.249 -5.824 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 13.953 -22.499 -6.224 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 14.123 -23.579 -5.184 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 -22.540 -22.899 -15.007 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 -22.870 -23.409 -14.267 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 -23.080 -23.179 -15.747 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 13.412 1.200 0.301 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 13.132 0.400 -0.149 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 13.791 1.740 -0.379 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -3.445 11.220 -2.734 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -2.485 11.250 -2.674 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -3.675 12.040 -3.174 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 11.913 -21.371 11.519 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 12.223 -21.571 12.399 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 11.663 -22.221 11.159 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 18.218 8.984 -2.118 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 19.128 9.014 -2.408 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 17.808 8.334 -2.688 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 9.810 -18.536 -12.055 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 9.780 -19.466 -11.815 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 9.200 -18.116 -11.445 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -14.087 13.843 21.940 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -14.147 14.483 21.240 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -14.697 14.163 22.610 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 19.769 -1.455 17.599 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 20.179 -2.275 17.879 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 20.459 -0.805 17.669 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -23.510 12.122 -9.024 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -23.910 12.992 -8.944 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -24.260 11.532 -9.134 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.787 -19.994 -16.968 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.947 -20.774 -16.428 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.397 -19.364 -16.358 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -16.325 -11.561 14.435 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -17.075 -11.621 13.855 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -15.565 -11.691 13.875 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -2.882 -1.615 22.048 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -2.342 -1.225 21.358 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -2.802 -1.015 22.788 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 7.524 -4.820 23.590 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 6.904 -4.430 24.210 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 8.374 -4.780 24.040 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 -5.509 15.179 20.519 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 -5.589 15.569 19.649 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 -5.179 15.889 21.069 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 3.105 -12.139 20.584 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 3.675 -11.769 19.914 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 3.315 -11.649 21.384 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 -10.640 -18.314 19.045 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 -11.060 -18.614 18.245 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 -10.700 -19.054 19.645 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 15.680 -16.032 -10.818 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 16.500 -16.172 -11.278 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 15.710 -15.112 -10.528 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 -2.157 18.359 5.324 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 -1.297 18.179 4.934 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 -2.407 17.539 5.754 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -11.524 -13.705 -24.064 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -11.234 -13.465 -23.184 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -12.294 -14.255 -23.914 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 -8.912 19.553 -17.244 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 -8.672 20.473 -17.344 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 -8.092 19.113 -17.034 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.084 -24.908 -19.652 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -0.914 -24.898 -18.712 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -2.034 -24.898 -19.722 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 -15.983 -7.773 15.912 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 -16.143 -6.983 16.442 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 -15.673 -7.433 15.072 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -18.177 7.812 18.798 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -17.287 8.092 19.008 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -18.097 6.882 18.598 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 -5.152 -17.954 10.281 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 -4.832 -17.154 10.711 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 -4.362 -18.464 10.121 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 -11.435 -24.332 -8.991 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 -11.005 -23.482 -9.041 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 -10.805 -24.952 -9.351 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 19.625 18.889 3.645 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 19.325 19.759 3.905 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 19.705 18.939 2.685 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -0.433 16.285 -22.263 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -0.923 16.045 -21.483 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -0.133 15.455 -22.633 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 -2.591 6.668 -0.134 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 -2.821 5.748 -0.244 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 -3.091 7.128 -0.804 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -1.147 -7.917 16.676 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -1.117 -8.757 16.226 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -1.437 -7.287 16.016 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 5.911 10.704 -24.519 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 5.441 10.144 -23.899 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 5.281 10.864 -25.219 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 -5.420 3.807 -24.367 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 -4.730 4.457 -24.237 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 -6.110 4.277 -24.847 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 24.978 -21.693 16.359 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 25.618 -21.063 16.699 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 24.678 -21.313 15.529 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 16.560 -7.159 0.669 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 16.170 -6.629 1.379 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 16.100 -6.869 -0.121 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 -4.209 23.237 -0.585 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 -5.129 23.307 -0.325 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 -4.179 23.627 -1.455 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 -9.727 -15.998 2.997 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 -10.477 -16.588 3.077 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 -9.547 -15.958 2.057 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 4.525 3.702 -3.883 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 4.235 2.802 -4.063 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 4.085 3.932 -3.073 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 14.673 -14.011 -19.024 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 15.023 -14.201 -18.154 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 14.773 -13.071 -19.124 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 19.139 -3.809 0.439 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 19.119 -4.249 1.289 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 18.849 -4.469 -0.181 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 5.836 -25.324 -18.761 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 5.586 -24.424 -18.521 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 5.126 -25.634 -19.321 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 6.937 16.334 6.851 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 6.147 16.754 6.521 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 7.307 16.964 7.461 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 23.043 -18.571 12.763 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 23.113 -19.431 13.173 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 22.863 -18.761 11.843 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 0.113 -23.908 -0.567 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 0.403 -23.668 0.313 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -0.817 -23.698 -0.577 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 -16.447 -21.836 -1.889 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 -17.227 -22.376 -2.029 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 -16.477 -21.186 -2.589 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 3.334 1.051 -15.855 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 4.234 0.881 -16.125 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 2.824 0.981 -16.655 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 7.331 -8.736 -3.932 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 7.911 -8.316 -3.292 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 6.551 -8.976 -3.422 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 12.857 -15.214 16.085 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 13.567 -14.694 16.465 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 12.837 -14.964 15.165 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 7.416 11.467 -13.184 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 7.526 11.027 -14.024 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 8.306 11.597 -12.864 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 -8.507 -11.934 17.969 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 -8.527 -11.014 17.699 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 -7.577 -12.164 17.979 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -0.643 -25.221 -3.378 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -0.753 -24.291 -3.548 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 0.107 -25.481 -3.908 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 13.527 -15.189 -1.848 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 12.977 -14.739 -1.198 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 13.207 -14.879 -2.688 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -17.465 -21.965 -25.151 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -17.545 -22.895 -25.391 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -17.765 -21.935 -24.241 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 -10.482 6.830 -6.069 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 -10.352 7.120 -6.969 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 -10.212 5.910 -6.069 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 -13.534 -15.196 13.474 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 -13.794 -15.446 12.594 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 -13.464 -16.026 13.954 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 -17.910 4.655 -16.270 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 -18.440 4.985 -17.000 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 -17.980 3.705 -16.340 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 -10.676 13.599 16.364 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 -10.246 12.849 16.774 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 -10.176 14.349 16.674 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -17.315 -0.302 20.523 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -16.685 0.188 21.053 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -17.525 0.278 19.803 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -3.430 -21.924 -6.499 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -2.890 -22.084 -7.269 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -2.920 -22.284 -5.769 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 -19.922 -16.543 -9.413 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 -20.612 -17.183 -9.623 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 -19.612 -16.793 -8.543 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 23.214 20.249 -0.269 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 23.004 20.429 -1.189 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 22.804 20.969 0.211 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 -14.480 23.626 -7.628 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 -13.560 23.836 -7.778 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -14.900 24.466 -7.458 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 8.980 17.175 -15.124 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 9.410 17.455 -15.934 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 9.200 17.855 -14.484 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 15.430 -21.795 -1.640 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 15.420 -22.525 -1.020 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 14.950 -21.095 -1.200 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 21.959 -7.126 9.647 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 22.619 -7.686 9.247 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 21.119 -7.506 9.387 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 -12.681 7.957 -13.991 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 -12.821 7.507 -13.161 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 -13.531 7.917 -14.431 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 -20.582 1.114 3.191 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 -21.042 0.664 2.471 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 -20.112 1.834 2.761 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 21.925 20.134 -9.974 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 21.335 19.774 -10.644 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 21.745 19.604 -9.194 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 -8.512 -10.956 20.554 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 -8.932 -11.326 21.324 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 -8.772 -11.536 19.834 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 -16.605 21.941 -22.344 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 -17.155 21.751 -21.584 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 -17.145 21.701 -23.094 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -8.791 -2.446 -24.641 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -8.251 -3.116 -25.061 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -9.171 -1.966 -25.371 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -15.435 -14.808 -20.445 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -15.115 -14.548 -19.575 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -16.265 -15.238 -20.265 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 5.412 -8.499 -21.544 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 6.351 -8.639 -21.394 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 5.051 -8.369 -20.664 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -18.999 -13.262 6.046 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -18.349 -12.732 6.496 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -19.839 -12.862 6.276 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 21.963 13.601 -4.141 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 22.493 12.911 -3.741 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 21.263 13.761 -3.521 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -4.032 -11.183 -15.098 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -3.972 -12.113 -14.898 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -4.342 -10.783 -14.288 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -9.425 20.367 -5.568 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -10.125 20.947 -5.258 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -9.875 19.547 -5.788 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 0.701 -10.305 19.361 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 1.201 -10.955 19.861 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 0.741 -10.615 18.461 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 16.029 -0.866 -5.383 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 15.369 -1.236 -5.963 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 15.909 -1.336 -4.553 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 9.453 19.487 -13.924 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 9.183 20.257 -13.434 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 9.963 19.837 -14.664 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 -21.712 22.121 15.327 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 -21.552 22.941 14.847 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 -22.652 21.971 15.237 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 -13.957 -9.641 12.607 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 -13.757 -10.221 13.337 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 -14.907 -9.541 12.637 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 13.725 -17.900 -9.713 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 13.495 -18.390 -10.503 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 14.495 -17.390 -9.953 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 -22.096 2.798 -14.497 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 -22.546 3.628 -14.327 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 -22.766 2.128 -14.407 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 11.255 18.270 -0.691 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 10.805 18.980 -0.231 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 11.215 17.530 -0.091 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 15.368 -22.302 3.095 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 14.568 -22.612 3.525 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 15.908 -23.092 3.005 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 24.504 20.653 8.985 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 25.374 20.373 8.715 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 24.654 21.253 9.705 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 -6.475 4.195 -0.181 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 -6.475 3.995 0.749 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 -6.595 5.135 -0.231 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 -0.425 -14.561 8.657 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 -0.255 -14.741 7.727 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 -0.855 -13.711 8.657 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -23.985 7.959 -23.731 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -23.185 7.539 -23.441 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -24.205 8.579 -23.031 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 8.491 1.160 -1.148 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 8.791 1.610 -0.358 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 9.291 0.840 -1.568 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 17.056 -2.257 19.159 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 17.766 -2.107 18.539 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 16.256 -2.077 18.659 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -4.451 6.481 -15.914 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -4.591 5.721 -16.484 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -5.251 6.991 -16.004 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 5.856 3.088 6.220 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 5.096 3.478 5.790 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 5.696 2.148 6.190 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -16.196 -15.870 9.725 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -16.606 -15.460 10.485 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -16.446 -16.790 9.785 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -20.169 1.207 21.423 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -19.439 0.867 21.943 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -19.759 1.817 20.813 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 -14.826 2.672 7.131 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 -14.256 3.182 6.551 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 -14.286 1.932 7.401 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 12.781 4.797 -20.748 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.931 4.767 -21.178 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 13.261 5.477 -21.218 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 18.940 7.084 19.015 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 18.440 6.874 19.805 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 19.380 7.914 19.215 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 -14.606 -10.035 16.476 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 -15.056 -9.215 16.246 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 -14.916 -10.665 15.826 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -11.701 -7.613 -11.268 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -11.831 -8.423 -11.768 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -11.821 -7.883 -10.348 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 7.488 -18.663 7.632 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 8.108 -18.943 8.302 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 7.038 -17.913 8.032 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -5.742 -10.271 -5.188 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -4.912 -10.351 -5.648 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -5.632 -10.801 -4.398 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 16.265 -10.190 20.426 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 15.535 -9.580 20.506 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 16.135 -10.610 19.576 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 21.654 -9.747 -7.641 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 21.114 -9.057 -8.021 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 21.034 -10.457 -7.451 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 -18.446 -2.758 7.392 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 -19.016 -2.248 7.972 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 -18.026 -3.388 7.972 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -13.840 19.671 2.076 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -13.810 20.221 1.296 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.440 18.961 1.836 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 14.241 13.917 19.431 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 14.191 14.207 18.511 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 14.861 13.187 19.411 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 17.586 -2.131 -1.226 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 18.126 -2.721 -0.696 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 17.106 -2.711 -1.816 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 20.793 6.015 -15.154 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 20.183 6.755 -15.124 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 20.283 5.295 -15.534 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 -10.245 21.730 12.435 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 -10.905 21.290 12.965 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 -10.755 22.250 11.805 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 16.828 -13.268 5.257 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 16.688 -13.988 5.857 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 17.308 -13.648 4.527 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -4.564 5.122 -19.930 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -3.814 5.592 -20.280 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -4.444 4.212 -20.220 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -22.423 12.885 15.736 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -22.963 12.335 15.166 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -22.983 13.635 15.946 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -9.032 -19.992 11.033 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -8.482 -20.742 11.213 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -8.912 -19.412 11.783 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 -16.252 -20.378 -21.618 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 -16.772 -21.108 -21.938 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 -16.892 -19.718 -21.368 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 -4.194 23.464 -19.804 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 -3.314 23.264 -19.494 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 -4.124 23.444 -20.754 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 13.069 -19.689 -6.928 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 13.849 -20.059 -7.338 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 13.099 -18.759 -7.128 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 19.536 -21.137 -3.970 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 18.736 -20.607 -4.000 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 19.556 -21.477 -3.070 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 -8.209 5.633 -17.173 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 -8.469 5.743 -16.253 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 -7.259 5.713 -17.163 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 24.708 18.191 12.419 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 23.848 18.531 12.649 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 24.618 17.901 11.519 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -25.100 14.751 -4.732 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -24.900 14.831 -3.802 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -24.260 14.881 -5.172 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 -20.512 4.065 14.892 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 -21.232 3.685 15.382 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 -20.222 3.355 14.302 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -14.645 -15.791 22.662 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -14.015 -16.501 22.752 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -14.115 -15.001 22.542 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -17.597 -16.200 -19.236 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -17.277 -16.830 -18.586 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -18.277 -16.670 -19.706 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 3.464 -6.378 11.493 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 3.014 -7.208 11.663 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 2.844 -5.858 10.983 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 -3.803 -25.055 -3.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 -4.083 -24.135 -3.163 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 -2.903 -25.065 -3.413 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 -21.714 -14.753 6.137 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 -20.994 -15.183 6.617 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 -21.744 -13.873 6.507 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 13.768 -17.205 -18.897 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 14.478 -16.575 -19.057 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 13.148 -16.735 -18.337 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 11.825 22.335 -24.261 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 12.535 22.445 -24.901 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 11.955 23.055 -23.641 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 9.655 -12.296 8.091 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 10.035 -11.926 8.891 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 10.235 -13.016 7.861 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 -24.725 -8.508 2.969 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 -23.925 -8.188 2.559 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 -24.665 -9.458 2.909 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 16.804 2.364 7.602 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 17.714 2.564 7.802 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 16.574 1.654 8.212 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 5.883 -15.513 18.875 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 6.293 -15.993 18.155 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 5.483 -14.753 18.455 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -9.734 -4.871 -0.845 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -9.654 -5.641 -0.285 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -10.064 -4.181 -0.265 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 -11.469 22.964 9.639 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 -11.489 23.914 9.799 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 -10.549 22.774 9.449 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 7.346 -14.576 -21.139 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 6.926 -14.106 -21.869 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 7.046 -14.106 -20.359 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -16.262 6.192 -13.638 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -16.272 7.072 -13.258 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -16.902 6.242 -14.348 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 -0.954 -0.389 -22.297 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 -0.104 -0.019 -22.547 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 -1.384 -0.579 -23.137 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 24.448 -3.617 24.849 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 25.018 -2.897 24.549 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 24.338 -3.447 25.789 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.069 -13.686 -24.521 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -20.229 -13.366 -24.841 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -21.689 -12.986 -24.731 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 -0.127 -3.253 19.552 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 -0.267 -3.903 20.242 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 0.283 -3.733 18.842 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -2.994 19.380 -15.920 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -3.834 19.470 -15.470 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -3.134 19.810 -16.760 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -4.452 9.005 -8.837 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -5.162 8.385 -8.657 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -3.982 8.605 -9.577 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 -22.029 3.192 -7.721 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 -21.929 3.622 -6.871 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 -22.339 2.312 -7.521 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 15.388 20.645 11.647 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 15.498 21.595 11.587 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 15.228 20.365 10.747 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 3.299 21.932 -17.878 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 2.719 21.222 -18.168 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 3.069 22.672 -18.438 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.140 -20.318 20.269 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -3.180 -21.258 20.449 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.860 -20.158 19.649 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 12.124 15.739 18.248 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 12.994 15.849 18.648 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 12.254 16.019 17.338 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -4.209 8.296 4.215 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -4.759 7.866 3.565 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -3.419 7.746 4.255 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 -1.327 -11.223 -13.205 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 -1.307 -11.033 -14.145 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 -0.407 -11.243 -12.945 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 3.925 -13.705 15.171 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 3.595 -13.035 14.571 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 3.665 -14.535 14.771 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 -17.735 -3.132 -3.647 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 -17.125 -3.082 -2.907 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 -18.145 -3.992 -3.567 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -10.363 -5.447 -24.155 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -11.133 -5.777 -23.685 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -9.753 -5.177 -23.465 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 23.255 -16.857 9.109 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 23.725 -16.707 9.919 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 22.865 -16.017 8.889 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 1.334 4.603 -11.569 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 0.534 4.903 -11.999 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 1.484 3.733 -11.929 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 -23.067 7.315 8.449 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 -23.977 7.445 8.209 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 -22.607 8.085 8.089 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 25.072 15.868 -15.451 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 24.831 15.988 -16.361 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 25.751 16.518 -15.291 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -7.937 18.188 1.606 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -8.217 18.848 0.966 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -7.047 18.448 1.846 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 20.224 -21.851 -1.424 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 20.944 -22.421 -1.694 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 20.524 -21.451 -0.614 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 4.313 17.998 15.505 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 3.383 18.188 15.615 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 4.753 18.838 15.635 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 -9.406 12.268 -5.521 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 -10.106 12.798 -5.151 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 -8.636 12.508 -5.011 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 -20.303 -8.659 -13.311 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 -20.723 -9.199 -12.651 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 -19.613 -8.189 -12.831 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 1.144 -3.019 -24.389 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 1.684 -2.419 -24.899 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 1.484 -3.889 -24.599 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -10.910 -10.127 2.544 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -11.030 -10.317 1.614 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -11.390 -10.827 2.994 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 2.626 6.325 5.367 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 2.196 5.565 5.747 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 2.976 6.805 6.117 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -8.803 -8.149 -6.571 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -8.483 -8.289 -5.681 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -9.513 -8.779 -6.671 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -14.746 -1.406 -19.488 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -15.676 -1.236 -19.348 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -14.656 -2.346 -19.338 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 15.353 22.920 -20.899 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 15.983 23.630 -20.989 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 14.643 23.150 -21.499 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -4.671 2.890 -5.240 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -4.311 2.770 -6.120 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -4.181 3.620 -4.870 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 5.593 1.833 0.687 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 5.533 2.793 0.627 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 5.583 1.533 -0.223 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 -9.550 18.773 5.009 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 -8.960 18.413 4.359 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 -9.680 18.063 5.639 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 -8.565 -18.457 -15.151 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 -8.305 -19.377 -15.211 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 -9.315 -18.457 -14.551 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -3.647 19.751 10.132 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -3.437 20.431 10.772 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -3.357 20.111 9.302 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 13.599 0.209 -13.008 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 13.349 0.799 -13.718 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 13.409 0.699 -12.208 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 14.141 10.836 -19.432 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 14.441 11.636 -19.852 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 14.941 10.436 -19.082 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 16.990 -21.587 19.574 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 16.180 -22.037 19.814 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 17.500 -22.247 19.094 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 18.524 -23.566 2.966 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 17.824 -23.066 2.566 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 19.224 -22.936 3.106 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 -4.126 -22.763 5.041 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 -3.746 -23.613 4.841 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 -4.946 -22.953 5.501 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 17.104 11.505 22.811 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 16.484 11.245 22.131 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 17.864 11.825 22.341 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 14.784 -14.138 9.765 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 13.994 -13.628 9.605 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 15.434 -13.488 10.035 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 0.463 17.782 5.155 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 1.023 17.262 5.745 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 0.853 18.652 5.175 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -2.555 7.348 13.973 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -1.625 7.558 13.973 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -2.985 8.098 13.563 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 15.086 -20.911 5.785 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 15.106 -20.031 5.405 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 14.986 -21.501 5.045 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 -19.724 21.256 17.332 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 -20.194 21.476 16.532 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 -18.834 21.566 17.172 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 -7.921 13.313 22.747 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 -7.791 12.803 23.547 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 -7.041 13.423 22.387 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 -16.104 17.229 -12.092 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 -16.534 18.009 -11.752 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 -16.574 17.039 -12.902 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 20.133 22.409 10.690 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 19.783 23.249 10.990 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 21.083 22.499 10.790 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 -12.436 -12.135 -4.072 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 -13.126 -11.535 -3.812 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 -12.776 -13.005 -3.852 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 13.215 17.173 -22.885 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 13.705 16.353 -22.945 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 12.935 17.353 -23.775 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 14.759 20.487 -3.674 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 14.899 20.547 -2.724 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 15.529 20.017 -3.994 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 -2.177 20.875 4.258 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -2.057 19.955 4.498 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 -3.067 21.085 4.528 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 18.854 -20.660 8.969 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 19.654 -20.280 8.609 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 18.144 -20.270 8.469 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 -9.903 17.525 -24.248 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 -10.663 17.635 -24.818 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 -10.073 18.095 -23.498 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -2.515 2.640 -3.693 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -2.245 3.520 -3.963 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -2.135 2.060 -4.363 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -9.761 -12.788 22.859 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -9.861 -13.528 22.269 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -10.601 -12.328 22.819 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 10.548 -15.612 17.138 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 10.718 -14.692 17.328 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 11.068 -15.792 16.348 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 -10.967 24.661 23.467 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 -11.477 24.381 24.227 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 -11.147 25.601 23.397 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 0.132 21.412 -2.395 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 0.111 22.182 -1.835 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 0.132 21.762 -3.285 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -7.577 14.892 -18.772 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -7.607 13.992 -18.462 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -7.877 14.842 -19.682 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 13.873 15.298 23.119 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 14.303 16.088 23.429 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 14.173 14.608 23.729 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -22.134 -10.472 13.790 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -22.864 -10.122 14.300 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -21.354 -10.262 14.310 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 22.238 -13.812 -8.896 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 21.948 -14.722 -8.876 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 22.438 -13.632 -9.816 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 14.728 5.766 -8.945 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 13.888 6.236 -8.955 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 14.748 5.306 -9.775 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 9.434 -2.192 -21.159 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 9.514 -2.102 -20.209 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 10.184 -2.732 -21.419 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 -13.576 -11.514 -7.500 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 -14.066 -11.284 -8.300 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 -12.866 -12.064 -7.820 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 1.823 15.691 -6.182 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 1.143 15.151 -5.782 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 2.643 15.341 -5.832 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 -10.152 -1.012 23.567 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 -9.332 -0.922 23.077 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 -10.112 -0.322 24.227 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -14.231 -23.547 -22.399 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -14.541 -24.447 -22.549 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -14.411 -23.087 -23.219 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 2.043 1.848 -18.351 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 2.993 1.728 -18.361 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 1.743 1.498 -19.181 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 -11.757 9.561 -0.125 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 -11.217 9.711 -0.905 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 -11.447 10.211 0.515 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 -23.895 -9.223 15.534 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 -24.265 -9.013 16.394 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 -23.935 -8.403 15.044 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 15.223 -17.924 -13.773 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 14.493 -17.494 -13.313 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 15.833 -18.164 -13.073 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 6.817 -13.957 -7.127 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 6.727 -14.307 -8.007 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 7.607 -14.367 -6.787 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 -8.881 -23.147 -2.199 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 -9.491 -23.877 -2.049 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 -8.081 -23.407 -1.749 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -10.773 21.235 25.429 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -11.363 21.885 25.029 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -10.213 20.955 24.709 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 -2.835 -7.561 20.344 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 -3.605 -7.161 20.744 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 -2.095 -7.201 20.824 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 10.980 -18.877 20.732 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 11.840 -18.577 20.462 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 10.400 -18.137 20.532 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -14.770 6.499 16.941 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -15.070 7.389 16.751 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -14.310 6.219 16.151 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 -11.012 24.590 19.467 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 -11.452 24.910 20.257 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 -11.462 23.770 19.267 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 8.386 12.055 -22.407 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 7.676 11.655 -22.917 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 9.046 12.285 -23.057 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 -9.639 -15.775 17.020 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 -10.189 -16.405 16.580 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 -10.239 -15.245 17.560 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 12.158 17.669 23.659 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 12.468 16.809 23.369 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 11.518 17.929 22.999 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -16.256 0.592 -6.798 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -15.336 0.742 -6.998 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -16.256 -0.168 -6.218 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -1.061 16.595 15.729 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -1.691 17.225 16.089 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -1.551 15.785 15.629 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -2.392 -20.744 -8.810 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -2.292 -19.874 -8.410 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -2.772 -20.564 -9.670 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 5.173 -22.453 17.989 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 5.203 -23.363 17.689 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 4.553 -22.453 18.709 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 19.871 24.714 12.212 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 20.741 24.884 11.832 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 19.601 25.554 12.592 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -21.734 14.913 -15.154 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -21.204 15.583 -15.594 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -22.424 14.703 -15.784 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -19.611 -6.915 11.796 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -19.721 -7.795 12.146 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -20.451 -6.485 11.956 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 18.145 -2.891 21.725 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 17.685 -3.091 20.905 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 17.525 -2.351 22.215 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 0.867 -15.187 15.156 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 1.177 -14.327 15.446 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 0.357 -15.517 15.896 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 23.604 21.941 -2.829 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 23.924 22.431 -3.589 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 24.404 21.681 -2.359 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 -3.055 4.537 -7.411 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 -2.125 4.547 -7.641 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 -3.085 4.837 -6.501 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 -10.753 -5.657 18.352 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 -10.023 -5.947 17.812 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 -11.503 -6.157 18.032 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 12.877 -6.897 1.635 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 12.727 -7.837 1.775 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 13.677 -6.707 2.125 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 20.047 -9.143 -14.868 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 20.417 -8.273 -15.028 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 20.257 -9.643 -15.658 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 16.570 16.075 -2.701 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.860 16.045 -3.341 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 16.720 17.005 -2.551 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 -7.140 -22.341 12.042 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 -6.210 -22.571 11.992 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 -7.260 -22.031 12.942 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -19.050 1.472 14.199 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -18.150 1.362 14.489 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -19.460 0.612 14.329 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 17.985 -9.933 1.084 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 17.345 -9.343 0.684 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 18.825 -9.623 0.754 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 8.237 -3.777 -10.429 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 7.967 -2.897 -10.159 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 9.017 -3.957 -9.909 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 7.911 -6.328 13.723 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 7.581 -6.808 14.473 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 8.861 -6.358 13.813 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 -3.491 -9.452 -11.341 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 -2.931 -10.052 -11.821 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 -3.231 -9.562 -10.421 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 -14.442 22.184 -19.138 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 -14.362 21.244 -18.988 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 -15.382 22.334 -19.238 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 13.560 7.005 -0.051 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 13.260 6.115 -0.251 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 14.510 6.955 -0.151 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -25.294 -17.983 -3.110 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -25.344 -18.863 -3.500 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -24.384 -17.733 -3.200 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 16.770 -12.077 -12.045 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 17.160 -12.617 -11.355 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 15.830 -12.137 -11.905 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 19.066 14.227 19.412 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 18.806 13.467 19.922 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 18.276 14.457 18.922 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 -10.024 22.854 -15.639 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 -9.504 22.814 -16.439 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 -10.004 21.964 -15.289 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 -22.519 25.277 -12.954 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 -21.699 24.997 -12.544 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 -23.149 24.597 -12.704 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 10.951 -1.702 -25.341 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 10.711 -1.412 -24.461 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 10.971 -0.892 -25.851 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 -0.162 -17.765 -8.474 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 -0.902 -18.255 -8.114 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 0.518 -18.425 -8.624 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 -2.796 -14.015 25.026 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 -2.356 -13.165 24.966 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 -3.286 -14.085 24.216 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 -4.932 5.368 -12.861 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 -5.392 5.118 -12.061 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 -4.122 5.778 -12.571 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 -12.433 11.730 -6.623 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 -12.863 10.880 -6.613 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 -12.043 11.820 -5.753 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -7.376 11.416 -8.658 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -6.556 11.906 -8.628 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -7.556 11.196 -7.738 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 3.859 -13.259 0.631 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 4.179 -13.539 -0.229 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 3.519 -14.069 1.021 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 8.140 9.847 -8.058 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 7.300 9.437 -7.888 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 8.180 9.947 -9.008 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 21.333 -7.735 -24.978 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 20.873 -7.835 -25.818 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 22.043 -8.375 -25.018 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 21.932 -22.823 2.912 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 22.301 -21.963 3.132 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 22.391 -23.433 3.492 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 10.007 24.305 22.172 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 9.777 23.405 21.922 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 10.667 24.185 22.872 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.360 5.368 -0.433 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 10.530 5.318 -0.893 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 11.190 5.968 0.297 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 21.905 18.138 -7.428 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 21.765 17.188 -7.358 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 22.275 18.388 -6.588 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 7.755 20.442 25.058 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 7.825 19.722 24.418 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 8.085 21.202 24.598 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 10.954 4.475 -9.655 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 10.074 4.865 -9.575 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 11.504 4.995 -9.065 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 -16.679 -14.551 12.226 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 -17.399 -13.921 12.266 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 -16.049 -14.231 12.866 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 -11.073 -19.505 -11.866 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 -11.633 -20.255 -12.066 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 -11.613 -18.965 -11.286 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 -2.887 6.671 7.322 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 -3.177 5.891 7.802 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 -3.537 7.341 7.552 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 21.160 -3.617 18.322 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 21.020 -4.537 18.092 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 21.790 -3.637 19.032 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 -5.785 -23.465 -0.149 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 -5.345 -24.305 -0.029 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 -5.885 -23.385 -1.099 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 -0.591 23.411 22.669 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 -1.071 24.171 22.999 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 -0.061 23.751 21.949 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 -3.643 20.877 -5.923 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 -3.443 21.737 -5.563 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 -3.573 20.287 -5.173 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 15.516 12.637 -15.714 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 15.266 13.547 -15.584 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 15.326 12.207 -14.884 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 20.685 20.308 -13.735 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 21.165 20.988 -14.205 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 21.365 19.758 -13.345 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 -19.884 -5.887 -18.791 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 -19.154 -5.817 -18.171 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 -20.544 -6.377 -18.311 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 3.804 7.764 3.568 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 3.234 8.524 3.688 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 3.364 7.054 4.028 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 9.051 -15.974 -13.043 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 9.831 -15.924 -12.483 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 9.341 -16.464 -13.813 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -9.069 8.823 -19.636 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -9.279 7.893 -19.696 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -8.589 8.913 -18.816 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 22.387 -15.750 23.385 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 22.857 -15.160 22.805 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 22.997 -16.470 23.555 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 2.848 9.307 12.622 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 2.868 8.707 11.882 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 3.348 10.067 12.332 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 -23.952 25.351 -25.421 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 -23.772 24.571 -24.901 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 -24.862 25.571 -25.231 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 3.099 -13.612 7.839 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 3.809 -14.232 7.709 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 2.389 -14.122 8.219 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -14.111 4.485 23.629 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -13.521 4.905 24.259 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -14.981 4.605 23.999 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 -11.417 12.122 20.674 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 -12.337 11.992 20.904 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 -11.157 12.892 21.184 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 3.459 21.565 -0.153 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 3.839 21.885 0.667 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 2.689 22.105 -0.283 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 23.465 10.934 14.369 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 23.045 10.404 13.689 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 23.015 10.684 15.179 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 -6.306 17.440 -16.657 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 -6.066 16.810 -15.967 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 -6.736 16.900 -17.327 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 -21.853 9.983 -18.417 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 -21.743 9.543 -19.257 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 -22.793 10.143 -18.347 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 24.291 -23.185 -14.948 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 24.361 -22.895 -14.048 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 24.761 -22.515 -15.458 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 18.136 13.366 8.919 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 17.356 13.036 9.339 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 18.776 12.656 8.989 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 15.894 -14.015 0.969 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 16.274 -14.885 0.839 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 16.514 -13.575 1.549 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -14.476 4.326 -1.729 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -15.096 3.656 -1.439 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -14.106 4.666 -0.909 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 22.516 -0.975 12.949 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 22.256 -1.615 13.619 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 21.706 -0.515 12.729 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 4.123 -18.599 -13.785 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 3.993 -17.819 -14.325 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 4.823 -18.359 -13.175 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 -0.729 20.665 15.103 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 -1.469 20.865 15.683 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 -0.809 19.725 14.943 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 19.306 -25.094 -0.136 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 18.896 -25.204 -0.996 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 18.756 -24.454 0.314 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 -12.320 -3.132 1.071 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 -12.240 -2.562 0.311 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 -13.020 -3.752 0.841 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -7.184 -24.038 -15.191 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -6.694 -23.948 -16.011 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -6.824 -24.828 -14.791 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 15.335 -9.927 -13.215 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 16.215 -10.317 -13.245 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 14.825 -10.437 -13.845 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -5.507 -19.572 -3.839 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -4.927 -18.862 -4.109 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -6.067 -19.722 -4.609 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 13.418 18.450 10.557 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 13.588 19.250 11.057 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 14.048 17.810 10.897 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.145 -15.617 -8.343 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.805 -16.217 -8.703 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.945 -15.967 -7.473 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 -18.872 -3.120 18.639 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 -18.982 -2.250 19.009 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 -18.472 -3.630 19.349 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 -25.065 -2.160 -9.038 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 -25.925 -2.470 -9.338 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 -24.435 -2.550 -9.638 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 -23.467 -0.540 -1.655 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 -23.517 0.270 -1.155 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 -24.377 -0.770 -1.835 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 -16.009 22.117 -1.171 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 -15.859 22.627 -1.971 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 -15.239 21.547 -1.111 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 22.631 24.911 -6.829 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 22.101 24.921 -7.619 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 22.211 24.261 -6.269 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 4.660 -21.324 7.266 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 4.620 -20.924 8.136 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 5.030 -22.194 7.426 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -4.833 12.090 -11.794 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -5.483 12.630 -12.244 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -4.503 11.500 -12.474 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -3.780 8.720 -21.724 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -3.250 8.710 -20.924 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -3.300 9.300 -22.314 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 18.800 -18.760 19.159 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 18.760 -19.640 19.529 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 19.410 -18.820 18.429 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 -16.547 -7.170 13.242 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 -17.107 -7.900 13.492 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 -17.017 -6.730 12.532 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 1.841 -24.054 -13.671 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 1.501 -23.204 -13.381 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 1.541 -24.674 -13.021 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 18.915 -18.307 -16.841 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 18.135 -17.757 -16.871 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 19.415 -17.977 -16.101 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 3.724 -23.931 4.836 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 3.314 -23.261 4.296 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 3.914 -23.481 5.666 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 1.641 -0.931 -22.561 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 2.531 -1.281 -22.451 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 1.091 -1.551 -22.081 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -8.607 -9.097 24.422 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -9.097 -9.677 25.012 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -8.067 -8.567 25.002 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -17.205 -24.514 8.883 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -17.235 -25.464 8.803 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -18.115 -24.234 8.853 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 15.733 22.734 -12.921 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 16.433 22.654 -12.271 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 15.313 23.574 -12.711 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -4.422 16.891 -19.081 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -4.532 15.941 -19.121 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -5.002 17.171 -18.371 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -4.911 -1.635 18.359 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -4.671 -2.035 17.519 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -5.851 -1.465 18.279 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -25.229 10.371 20.239 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -24.389 9.921 20.329 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -24.999 11.291 20.109 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 -19.782 -16.789 14.164 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 -20.322 -17.089 14.884 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 -19.262 -17.549 13.924 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 -18.505 8.246 -11.345 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 -18.455 9.096 -11.785 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 -17.595 8.026 -11.145 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 9.431 -15.611 11.246 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 9.531 -16.541 11.446 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 9.501 -15.561 10.286 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 11.825 -24.881 -3.224 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 11.455 -24.061 -2.914 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 11.095 -25.341 -3.624 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 -11.867 -17.908 15.485 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 -11.827 -18.388 14.655 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 -12.787 -17.908 15.725 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 -10.176 16.042 11.874 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 -10.866 16.182 11.224 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 -10.466 16.532 12.644 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 11.387 18.029 -12.173 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 12.047 18.709 -12.283 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 10.587 18.419 -12.523 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -9.495 -15.001 -7.885 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -8.535 -15.031 -7.945 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -9.705 -15.621 -7.195 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 1.757 -24.508 17.064 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 0.817 -24.588 16.904 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 2.137 -24.388 16.194 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 -18.324 -22.127 10.694 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 -19.244 -22.017 10.924 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 -18.004 -21.237 10.564 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 7.660 15.048 12.329 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 7.420 15.368 13.199 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 8.340 14.398 12.479 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 -19.945 5.198 -21.131 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 -19.145 4.708 -20.951 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 -19.645 6.098 -21.281 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 14.279 -3.927 -16.913 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 13.999 -3.487 -17.723 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 14.509 -3.217 -16.323 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 3.245 12.954 -17.748 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 3.315 13.204 -18.668 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 2.315 12.764 -17.628 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -5.985 21.344 10.411 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -6.925 21.254 10.251 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -5.935 21.784 11.261 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -14.976 12.082 -10.628 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -14.486 12.282 -9.838 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -15.216 11.152 -10.538 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -11.245 -24.577 15.978 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -12.155 -24.337 15.778 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -10.725 -23.847 15.628 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 12.736 20.238 22.509 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 13.646 20.528 22.559 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 12.606 19.698 23.289 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 15.123 -13.630 21.545 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 14.933 -14.570 21.595 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 15.903 -13.520 22.095 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 -5.536 -2.311 6.582 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 -6.196 -2.601 5.962 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 -4.746 -2.191 6.052 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 23.720 -11.417 15.010 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 24.640 -11.157 14.970 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 23.750 -12.367 15.160 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 -9.576 -17.388 21.309 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 -9.626 -16.438 21.269 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 -9.896 -17.678 20.449 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 15.564 8.103 18.102 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 15.574 7.173 17.852 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 16.104 8.143 18.892 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 18.909 -4.479 14.778 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 18.039 -4.259 14.438 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 18.819 -4.419 15.728 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -0.301 -16.673 -20.608 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 0.129 -17.523 -20.458 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -0.051 -16.433 -21.498 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 -7.350 -16.937 -4.205 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 -7.520 -16.997 -3.265 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 -6.540 -16.437 -4.275 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 -22.336 -11.129 -0.788 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 -22.006 -10.649 -1.548 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 -23.276 -11.249 -0.968 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 6.494 2.135 -22.944 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 6.754 3.055 -22.964 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 5.644 2.115 -23.364 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 17.017 7.835 -13.735 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 17.627 7.285 -13.245 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 16.787 8.535 -13.135 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -10.709 14.208 1.192 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -11.099 14.478 0.362 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -9.939 13.698 0.932 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 12.235 -7.731 -18.734 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 12.605 -7.241 -18.004 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 11.295 -7.721 -18.584 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 21.838 8.381 -0.962 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 20.988 8.811 -0.892 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 22.128 8.581 -1.852 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 1.049 -12.460 10.659 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 0.749 -13.260 10.229 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 1.729 -12.110 10.089 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 11.909 -9.207 21.137 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 12.729 -8.707 21.127 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 11.259 -8.617 20.747 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 8.083 13.509 20.932 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 8.233 14.159 21.612 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 8.313 12.669 21.342 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -19.354 14.503 -3.281 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -18.884 13.703 -3.041 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -19.394 14.473 -4.241 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 -5.831 3.624 17.315 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 -5.341 3.894 18.095 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 -5.801 4.374 16.735 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 -20.514 -18.579 10.836 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 -20.474 -18.899 9.936 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 -20.704 -17.639 10.756 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -23.546 5.784 -5.658 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -22.896 6.484 -5.708 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -24.356 6.224 -5.418 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 4.005 4.346 -13.138 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 3.225 4.366 -12.578 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 3.665 4.116 -14.008 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 0.430 13.297 -21.788 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 1.070 12.657 -21.488 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 -0.390 13.037 -21.378 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -18.134 -20.104 -17.516 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -17.244 -19.774 -17.626 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -18.304 -20.044 -16.576 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -6.174 17.152 -4.622 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -5.484 17.362 -5.242 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -6.394 17.992 -4.212 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 24.281 -0.486 -1.961 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 23.491 -0.646 -1.431 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 23.941 -0.176 -2.801 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -6.701 -20.684 0.791 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -5.841 -20.814 0.401 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -7.141 -21.534 0.681 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -0.279 6.071 -24.649 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 0.651 6.251 -24.499 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -0.569 6.761 -25.239 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 16.863 2.873 0.056 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 17.183 2.983 0.956 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 17.363 2.143 -0.284 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 16.019 -24.525 23.977 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 16.089 -23.595 23.757 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 15.979 -24.975 23.127 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -8.302 -24.965 9.341 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -7.632 -25.365 9.891 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -7.892 -24.175 8.991 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 19.903 0.982 22.047 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 20.763 0.932 21.637 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 19.393 1.552 21.467 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 -3.889 24.476 21.569 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 -4.379 24.926 20.879 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 -4.529 24.316 22.259 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -14.122 22.890 -12.559 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -14.112 23.670 -11.999 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -14.642 22.250 -12.069 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 21.843 17.125 20.795 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 21.773 16.175 20.815 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 21.873 17.385 21.715 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 12.846 -0.491 12.172 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 13.146 -1.361 12.432 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 13.526 0.099 12.492 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -16.446 3.505 -25.378 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -15.816 3.895 -24.778 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -17.206 3.295 -24.838 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 8.667 6.865 19.712 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 8.997 7.405 20.432 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.327 6.945 19.022 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 5.931 7.475 1.748 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 5.991 8.425 1.808 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 5.171 7.245 2.298 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 -11.255 -6.591 -14.454 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 -10.435 -6.581 -13.964 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 -11.225 -5.781 -14.964 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -15.466 -11.807 9.483 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -16.186 -12.377 9.193 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -15.876 -11.207 10.113 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 7.294 -18.165 20.437 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 7.024 -17.855 21.297 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 7.674 -17.395 20.007 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 24.025 22.708 7.621 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 24.465 21.908 7.881 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 23.155 22.428 7.341 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -23.836 -14.286 -3.687 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -24.496 -14.466 -3.017 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -23.126 -13.856 -3.217 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 22.557 15.821 -14.276 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 22.117 15.021 -14.556 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 23.407 15.781 -14.726 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -15.409 -2.979 -8.044 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -14.939 -3.729 -7.684 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -16.269 -3.309 -8.274 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 -10.307 -4.042 20.360 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 -10.547 -4.212 19.450 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 -10.937 -4.532 20.880 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 -15.907 24.551 24.113 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 -15.867 24.571 25.073 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 -15.607 25.421 23.843 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 12.015 4.613 -12.899 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 11.945 4.883 -13.819 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 11.105 4.433 -12.639 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 -9.310 -8.200 4.316 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 -8.960 -9.090 4.266 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 -10.220 -8.290 4.016 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -14.624 7.515 -2.876 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -14.874 6.835 -3.506 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -14.024 7.075 -2.276 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 20.774 7.747 -13.164 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 20.034 7.247 -12.814 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 21.214 7.137 -13.754 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -17.772 2.595 -3.751 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -18.182 2.655 -4.611 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -18.272 3.195 -3.201 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -3.854 1.912 24.361 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -4.704 1.492 24.301 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -3.994 2.672 24.911 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 14.160 -6.667 -21.004 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 14.960 -6.407 -20.544 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 13.460 -6.507 -20.374 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -5.851 12.593 -1.245 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -5.521 13.013 -2.035 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -5.441 13.073 -0.525 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 -13.285 18.312 -10.430 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 -12.535 18.022 -9.910 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 -13.125 19.242 -10.580 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 1.073 20.382 -7.464 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 1.503 20.662 -8.264 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 1.113 19.422 -7.504 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -2.346 -4.113 21.779 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -3.176 -4.203 21.309 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -2.296 -3.183 21.999 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 9.451 4.345 -19.484 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 9.421 3.565 -20.034 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 8.721 4.885 -19.794 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 11.583 11.415 -3.591 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 10.673 11.685 -3.731 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 11.983 11.455 -4.451 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -16.214 11.823 6.181 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -15.504 12.163 5.651 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -15.834 11.683 7.051 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 -4.899 -4.332 -3.215 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 -5.239 -4.762 -4.005 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 -4.629 -3.462 -3.515 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 -9.906 -24.397 -14.918 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 -10.386 -24.097 -15.688 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 -8.986 -24.367 -15.168 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 -13.896 -21.439 13.455 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 -14.816 -21.219 13.305 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 -13.786 -22.319 13.085 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -14.915 -7.234 -24.681 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -14.065 -6.824 -24.511 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -14.825 -8.124 -24.331 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -15.159 9.417 -10.645 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -15.489 8.617 -10.255 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -14.279 9.517 -10.275 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 8.079 10.920 22.401 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 7.169 11.000 22.131 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 8.079 11.170 23.331 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 15.603 9.722 8.966 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 14.803 9.272 9.236 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 15.333 10.632 8.836 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -20.146 6.641 -16.498 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.376 5.721 -16.598 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.546 6.661 -15.758 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 1.317 -17.903 20.699 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 0.417 -17.623 20.519 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 1.407 -18.743 20.249 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 9.780 19.415 1.836 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 10.390 19.025 2.456 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 8.930 19.055 2.086 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 -24.300 7.631 -14.709 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 -24.520 7.581 -13.779 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 -25.110 7.921 -15.129 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 9.107 22.651 5.496 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 8.607 22.051 4.946 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 9.677 22.091 6.016 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 18.956 15.995 -8.984 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 18.086 15.915 -9.374 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 19.466 16.475 -9.644 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 -13.733 16.202 -21.050 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 -13.643 17.152 -21.110 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 -13.033 15.932 -20.470 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -11.437 9.192 -21.141 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -11.787 8.522 -20.551 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -10.487 9.172 -20.981 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 24.595 1.851 16.939 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 25.275 1.921 16.259 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 25.025 2.181 17.729 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 13.436 -5.360 4.549 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 14.136 -4.800 4.879 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 13.466 -6.130 5.119 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 -22.180 -25.227 -20.331 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 -21.270 -25.087 -20.061 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 -22.700 -24.757 -19.681 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 10.908 17.362 -9.254 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 10.638 16.472 -9.474 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 11.088 17.772 -10.094 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -21.187 -16.134 3.760 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -21.677 -15.994 4.570 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -20.277 -15.934 3.980 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -15.260 4.152 -16.017 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -16.140 4.422 -15.747 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -15.290 3.192 -15.987 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -10.185 11.194 -17.684 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -10.925 10.704 -17.334 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -9.805 10.614 -18.344 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 4.206 5.133 18.684 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 3.386 5.253 19.164 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 4.776 4.663 19.294 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -1.452 -10.217 21.577 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -1.202 -9.417 21.117 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -1.412 -10.897 20.907 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 -12.062 -3.057 -3.494 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 -12.282 -3.157 -4.424 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 -12.862 -2.717 -3.094 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -0.497 7.895 -14.107 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -0.577 7.675 -15.037 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -0.267 7.075 -13.687 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 -2.612 20.669 7.519 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 -2.332 21.279 6.839 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 -1.872 20.059 7.609 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 1.041 -20.995 -6.288 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 0.841 -21.655 -6.958 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 1.971 -21.095 -6.118 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 15.035 -22.209 15.585 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 14.565 -22.099 14.755 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 14.755 -21.469 16.115 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 19.355 13.515 12.499 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 19.585 12.715 12.029 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 20.185 13.975 12.609 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -22.994 3.073 6.804 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -22.064 3.213 6.954 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -23.284 3.853 6.324 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 7.506 -14.196 -14.220 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 6.756 -14.786 -14.340 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 7.806 -14.366 -13.320 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 23.178 3.009 -15.461 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 23.978 3.109 -15.981 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 23.428 3.309 -14.581 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 5.251 9.651 -22.057 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 4.391 9.551 -21.657 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 5.851 9.731 -21.317 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -4.571 22.724 12.474 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -4.371 23.594 12.124 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -4.691 22.854 13.414 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 0.547 -25.103 10.262 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 1.247 -25.403 10.842 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 0.997 -24.903 9.432 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -8.619 -14.022 -19.255 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -8.559 -13.762 -18.335 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -7.769 -13.792 -19.625 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -22.295 -10.521 21.692 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -21.775 -10.911 20.992 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -23.185 -10.501 21.362 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 2.265 -20.483 -20.750 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 3.165 -20.763 -20.940 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 1.925 -21.163 -20.170 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -3.179 8.750 -18.165 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -4.009 9.170 -17.955 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -3.409 7.830 -18.295 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 9.751 14.206 -2.736 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 10.321 14.956 -2.566 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 8.861 14.526 -2.606 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -16.557 -1.777 -5.623 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -16.437 -2.257 -6.433 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -17.007 -2.397 -5.043 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 -16.892 17.094 17.438 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 -16.272 17.614 16.928 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 -17.692 17.614 17.448 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.035 11.128 -24.013 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -8.625 11.508 -23.233 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.295 10.788 -24.523 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 17.847 -1.870 -15.311 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 17.367 -1.530 -14.561 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 17.937 -1.120 -15.901 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 -24.765 -6.390 4.997 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 -24.255 -7.150 4.727 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 -25.005 -5.960 4.177 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 21.403 -13.564 20.815 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 21.043 -12.674 20.775 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 21.943 -13.644 20.035 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 -19.035 -0.638 -3.963 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 -18.545 -1.458 -3.973 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 -18.475 -0.018 -4.433 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 14.627 20.209 5.624 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 14.537 21.119 5.904 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 15.477 20.169 5.194 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -12.791 -6.404 16.085 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -12.431 -6.224 15.215 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -13.561 -5.834 16.145 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -13.606 -17.821 4.926 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -13.946 -18.701 5.066 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -13.446 -17.481 5.816 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 15.356 2.089 -16.428 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 14.596 2.389 -16.928 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 15.686 2.889 -16.008 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 6.250 4.254 -16.489 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 6.720 4.144 -17.309 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 6.710 4.964 -16.029 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 -18.145 -23.480 14.659 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 -18.385 -24.380 14.449 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 -18.925 -22.970 14.429 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -13.452 2.744 14.209 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -14.092 2.774 14.919 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -12.722 3.264 14.519 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 -2.063 13.654 -20.973 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 -1.863 13.994 -21.843 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 -2.223 14.424 -20.443 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 15.247 23.511 18.857 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 15.607 24.321 18.507 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 15.217 23.651 19.807 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 21.719 -0.262 20.085 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 21.309 -1.122 19.945 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 22.439 -0.232 19.455 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 20.437 19.740 -23.728 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 20.607 20.580 -24.168 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 20.297 19.120 -24.448 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 7.936 0.231 -3.884 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 8.786 0.671 -3.954 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 8.136 -0.629 -3.534 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 -6.910 13.851 -12.110 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 -7.750 14.301 -12.260 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 -7.110 13.211 -11.420 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 22.885 -22.101 22.113 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 23.335 -22.871 22.453 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 22.815 -22.261 21.173 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 -2.935 -19.733 -22.895 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 -2.355 -20.303 -22.395 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 -2.405 -18.953 -23.075 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -12.995 9.565 -3.881 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -13.185 8.715 -3.491 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -12.205 9.865 -3.421 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 18.518 -23.791 -8.684 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 18.978 -24.631 -8.704 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 17.848 -23.901 -8.014 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 -1.833 -21.226 -18.081 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 -1.853 -21.316 -19.031 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 -1.713 -22.116 -17.751 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 18.651 0.398 -23.072 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 17.971 -0.242 -22.862 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 18.311 0.868 -23.842 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 -7.625 -22.562 -4.926 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 -6.805 -22.872 -5.296 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 -7.775 -23.132 -4.166 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 7.778 19.351 20.070 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 8.358 19.791 19.460 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 7.538 18.531 19.630 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 16.388 23.398 9.551 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 17.298 23.338 9.241 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 16.068 24.218 9.191 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 22.644 -5.541 23.840 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 23.374 -4.961 24.030 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 22.494 -6.021 24.660 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 -1.834 14.254 6.911 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 -1.964 15.134 7.281 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 -2.694 14.014 6.561 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -19.032 -0.947 3.596 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -19.642 -1.457 3.076 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -19.422 -0.067 3.636 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 -11.207 7.591 -16.258 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 -12.007 7.891 -15.828 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 -10.957 6.811 -15.768 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 7.149 -0.550 11.966 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 7.019 -0.970 11.116 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 7.989 -0.890 12.276 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -0.091 -6.459 21.231 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 0.079 -6.449 22.171 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 0.759 -6.289 20.821 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 -1.581 18.357 -23.858 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 -1.151 18.087 -23.048 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 -2.451 18.647 -23.578 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -22.230 -7.689 -14.916 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -22.350 -8.579 -15.256 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -21.360 -7.699 -14.526 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -5.194 12.489 2.019 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 -6.144 12.389 1.969 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -4.914 11.849 2.679 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 2.429 8.698 -19.124 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 2.399 7.918 -18.564 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 1.589 9.128 -18.964 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 -7.895 -24.695 1.168 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 -8.585 -25.075 1.718 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 -8.015 -23.755 1.258 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 -3.271 -24.298 -12.401 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 -3.531 -24.578 -11.521 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 -2.331 -24.478 -12.441 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -2.426 -11.170 4.883 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -2.346 -10.780 4.013 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -3.306 -10.910 5.173 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 12.500 11.205 -6.655 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 12.190 11.415 -7.545 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 12.560 10.255 -6.645 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 4.025 8.780 -5.158 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 4.135 8.360 -4.308 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 3.815 9.690 -4.948 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 22.280 12.511 -9.814 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 23.020 13.111 -9.754 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 21.540 12.991 -9.434 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 -3.766 5.777 -25.284 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 -3.886 6.547 -25.844 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 -3.016 5.997 -24.734 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.896 -19.246 -1.288 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.796 -19.436 -2.218 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -19.846 -18.296 -1.218 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 16.607 -22.682 -17.978 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 16.117 -23.412 -17.598 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 17.437 -22.682 -17.518 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 13.645 -19.668 12.635 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 12.915 -19.168 12.995 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 13.235 -20.248 11.995 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 17.731 23.505 -11.028 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 17.381 22.775 -10.518 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 18.681 23.395 -10.998 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 -22.757 -1.898 -24.325 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 -22.037 -1.828 -23.695 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 -23.437 -1.318 -23.965 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.228 15.067 2.249 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.588 15.387 3.069 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 12.978 14.977 1.669 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 -2.750 17.903 -12.625 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 -3.070 17.353 -13.345 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 -3.080 17.483 -11.835 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 15.061 14.128 4.339 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 14.631 13.298 4.169 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 15.701 13.938 5.029 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 16.125 18.947 21.731 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 17.055 18.727 21.681 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 16.015 19.687 21.131 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 15.224 -2.377 0.484 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 15.944 -1.837 0.804 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 15.194 -2.207 -0.456 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 3.103 -9.578 -0.365 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 2.413 -10.198 -0.615 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 3.163 -9.658 0.585 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 10.941 -14.789 7.516 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 10.961 -15.749 7.576 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 11.851 -14.539 7.396 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 -2.224 8.771 17.584 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 -2.794 9.531 17.484 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 -1.474 9.101 18.074 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 -9.103 -3.364 2.846 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 -9.673 -3.704 3.526 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 -9.673 -2.844 2.276 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 23.937 -16.012 1.256 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 23.497 -16.042 2.106 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 24.547 -16.742 1.266 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 16.426 10.174 4.787 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 16.126 9.404 5.277 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 16.066 10.054 3.917 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 23.437 -18.740 24.547 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 22.927 -18.950 23.757 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 23.467 -19.570 25.027 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 17.177 -23.451 14.465 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 16.307 -23.321 14.835 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 17.347 -24.391 14.565 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 -11.656 -3.302 -6.358 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 -11.056 -3.952 -5.998 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 -12.246 -3.802 -6.928 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -8.989 12.993 10.629 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -9.159 12.213 10.109 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -9.289 12.763 11.509 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 -17.163 -6.039 -14.455 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 -17.443 -6.909 -14.755 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 -17.433 -5.999 -13.545 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 -5.599 -12.900 13.081 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 -5.719 -12.030 12.711 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 -5.329 -13.440 12.341 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -19.531 10.065 20.055 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -18.991 9.395 19.625 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -19.461 10.835 19.485 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 10.437 -14.422 -15.785 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 9.487 -14.402 -15.825 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 10.707 -13.512 -15.925 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 9.591 20.591 -16.998 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 8.861 20.261 -17.508 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 9.751 21.461 -17.348 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 15.575 22.511 -5.828 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 15.155 21.741 -5.458 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 16.245 22.751 -5.188 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 -23.596 -12.594 19.781 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 -24.056 -13.324 19.361 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 -23.406 -11.984 19.071 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 18.996 3.784 -2.124 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 19.526 3.144 -1.634 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 18.136 3.384 -2.184 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 22.963 1.125 1.506 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.613 0.245 1.346 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 23.143 1.145 2.446 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 11.005 -8.735 24.832 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 10.765 -8.125 24.132 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 11.055 -9.585 24.392 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 11.475 4.729 2.337 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 12.275 4.599 1.817 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 11.305 5.669 2.287 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 -1.681 19.610 24.269 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 -2.601 19.460 24.079 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 -1.601 19.530 25.219 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 -17.520 -16.296 19.389 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 -17.690 -17.196 19.669 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 -18.040 -15.756 19.999 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 3.770 -6.583 20.152 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 3.740 -7.273 19.492 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 4.680 -6.563 20.442 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 -11.215 18.160 -8.659 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 -10.955 17.240 -8.789 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 -11.155 18.290 -7.719 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 -24.865 -16.761 -12.518 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 -24.385 -16.331 -13.228 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 -25.785 -16.751 -12.808 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 0.810 20.721 3.463 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 1.170 21.201 2.713 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -0.130 20.911 3.433 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -12.385 18.911 -16.845 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -13.085 18.291 -17.035 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -11.885 18.961 -17.655 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -16.063 8.883 -13.325 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -15.503 9.193 -12.615 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -16.043 9.583 -13.975 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 -14.564 16.367 -4.167 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 -15.474 16.187 -3.937 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 -14.174 16.697 -3.357 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 0.761 24.763 5.455 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 0.041 24.963 6.065 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 0.321 24.543 4.635 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 19.084 -24.152 20.153 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 19.104 -23.232 19.903 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 18.784 -24.142 21.063 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 15.233 -15.244 14.542 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 15.963 -15.604 15.042 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 15.393 -14.294 14.542 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 19.443 11.232 8.328 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 18.993 10.652 8.938 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 18.933 11.162 7.518 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 21.284 -16.846 -24.633 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 21.764 -17.576 -25.033 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 21.024 -16.306 -25.373 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 14.966 -17.980 -3.794 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 15.426 -17.150 -3.644 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 14.326 -17.780 -4.474 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -4.881 6.993 1.863 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -4.111 6.953 1.293 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -5.591 7.243 1.273 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 -14.124 -18.540 -25.399 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 -13.604 -17.770 -25.159 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 -14.334 -18.960 -24.569 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 -6.510 -23.427 -11.785 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 -5.900 -22.707 -11.915 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 -7.380 -23.027 -11.825 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 22.997 7.545 11.659 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 23.857 7.715 11.269 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 23.187 7.345 12.579 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 10.311 0.825 -13.614 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 10.511 1.705 -13.944 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 10.981 0.655 -12.944 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 -12.676 -12.216 11.467 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 -13.446 -11.646 11.417 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 -12.326 -12.226 10.577 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 10.226 -23.587 -6.144 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 10.566 -22.707 -5.954 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 10.986 -24.167 -6.024 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 2.758 -22.244 -9.706 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 3.288 -21.454 -9.776 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 1.968 -22.044 -10.216 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -14.109 -10.037 -13.847 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -15.019 -10.317 -13.857 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -14.009 -9.507 -14.637 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 -21.484 -14.585 -20.147 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 -21.114 -14.395 -19.277 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 -21.974 -15.395 -20.027 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 4.037 23.112 -3.008 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 3.877 22.402 -2.388 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 4.787 22.812 -3.528 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 -14.775 -21.159 -11.114 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 -14.845 -20.289 -10.724 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 -15.355 -21.709 -10.594 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 7.806 -2.598 20.367 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 7.906 -2.418 19.427 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 7.596 -3.528 20.397 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 10.756 -20.310 -22.961 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 10.296 -21.040 -22.561 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 11.206 -20.680 -23.721 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.614 11.124 -11.435 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.164 11.884 -11.815 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -11.514 11.194 -11.755 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -5.629 2.523 9.607 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -5.389 1.733 9.117 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -5.989 2.193 10.427 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 20.093 13.024 1.429 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 20.793 12.364 1.449 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 19.553 12.814 2.189 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 8.141 4.380 14.105 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 7.951 4.270 13.175 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 7.351 4.790 14.455 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 23.227 22.251 -14.573 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 23.477 22.961 -15.173 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 24.047 21.811 -14.373 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -20.649 -10.873 24.923 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -19.889 -10.703 25.483 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -20.479 -10.373 24.123 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -19.000 1.743 24.530 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -18.100 1.433 24.460 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -19.440 1.063 25.050 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 19.501 24.189 -7.491 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 19.641 24.159 -6.541 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 19.281 23.289 -7.731 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 15.481 21.091 17.089 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 16.411 21.291 17.209 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 15.021 21.831 17.479 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -11.393 23.772 -5.732 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -12.173 24.152 -5.332 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -11.703 22.972 -6.142 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 6.329 4.875 -19.898 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 5.989 5.765 -20.008 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 5.579 4.305 -20.058 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.884 4.685 -9.529 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 7.864 5.225 -8.739 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 6.994 4.725 -9.879 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -17.340 -7.012 -0.399 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -16.470 -6.952 -0.789 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -17.280 -6.492 0.401 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -14.384 22.476 16.384 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -13.694 22.526 17.044 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -14.284 21.596 16.004 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -19.736 -16.197 -13.027 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -20.436 -16.207 -13.677 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -20.186 -16.187 -12.177 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -11.046 -18.507 -14.285 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -11.616 -17.757 -14.405 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -11.076 -18.677 -13.345 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 -6.096 -20.611 25.128 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 -6.346 -21.451 24.728 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 -6.056 -20.001 24.388 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -4.775 19.943 20.167 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -5.735 19.953 20.137 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -4.535 19.063 19.887 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 -5.618 -15.031 -5.581 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 -6.269 -14.581 -6.111 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 -4.999 -15.411 -6.211 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 -4.631 -20.090 -1.095 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 -5.331 -20.040 -1.745 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 -4.031 -19.380 -1.315 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -1.880 -3.186 -2.630 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -2.140 -2.336 -2.960 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.270 -3.816 -3.230 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.684 14.437 23.445 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 9.204 13.677 23.685 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.324 15.147 23.345 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -1.312 -17.697 21.852 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -1.822 -18.477 21.642 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -0.552 -18.017 22.322 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 -11.367 4.212 -1.925 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 -12.267 4.122 -2.245 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 -10.947 3.392 -2.165 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -21.277 1.172 -20.639 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -21.007 0.892 -19.769 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.957 0.562 -20.899 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 12.673 -24.665 -17.553 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 11.763 -24.805 -17.283 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 13.193 -24.875 -16.773 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 -21.320 23.687 3.514 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 -21.500 24.007 2.634 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 -20.570 23.097 3.414 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 -14.816 -6.849 -1.408 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 -14.226 -7.609 -1.348 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 -14.406 -6.199 -0.838 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -4.417 18.915 24.580 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -5.117 18.315 24.350 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -4.707 19.335 25.390 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -11.391 6.834 17.670 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -12.211 6.934 17.170 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -11.651 7.034 18.570 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 11.844 6.269 -18.134 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 11.234 5.609 -18.464 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 12.274 6.609 -18.914 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 -24.765 0.726 6.045 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 -24.365 1.576 6.235 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 -24.075 0.096 6.225 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 2.651 5.008 -5.850 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 3.221 4.488 -5.290 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 3.101 5.848 -5.940 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 16.704 9.605 12.989 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 16.854 9.925 12.099 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 17.374 8.935 13.119 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 6.034 -8.820 23.842 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 5.634 -8.930 22.972 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 6.234 -7.880 23.902 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 4.731 2.400 -8.240 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 5.041 1.510 -8.410 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.531 2.900 -8.080 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 5.858 -13.541 2.390 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 5.268 -13.241 1.710 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 5.508 -13.161 3.200 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 -7.941 -2.037 -19.200 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 -7.391 -1.517 -18.620 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 -8.161 -2.817 -18.690 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 20.957 -7.231 15.684 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 21.187 -7.971 15.134 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 20.497 -7.611 16.434 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 5.927 -19.128 -16.465 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 5.647 -18.428 -15.875 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 5.307 -19.108 -17.195 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -19.234 12.349 -19.481 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -18.334 12.179 -19.191 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -19.674 11.509 -19.411 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -20.067 -5.970 19.247 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -20.247 -5.950 20.187 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -20.327 -5.100 18.937 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -23.540 -8.162 -5.979 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -22.820 -7.742 -5.509 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -23.920 -7.472 -6.519 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 14.789 0.269 3.601 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 15.679 -0.071 3.531 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 14.459 0.269 2.701 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 8.835 7.962 -18.559 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 7.915 7.802 -18.349 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 9.245 8.142 -17.709 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -18.420 10.470 15.617 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -17.560 10.500 16.037 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -18.810 11.320 15.817 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -7.512 -17.416 9.008 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -6.792 -17.936 9.358 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -7.442 -16.576 9.458 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 3.398 -7.333 -8.291 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 3.898 -8.053 -7.921 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 2.948 -6.943 -7.531 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 18.849 23.063 19.221 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 19.579 23.653 19.041 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 18.439 23.433 20.001 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 7.751 17.811 -4.401 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 7.391 18.131 -3.571 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 8.381 18.491 -4.661 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 -24.030 -15.401 3.062 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 -23.130 -15.541 3.362 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 -23.940 -14.811 2.312 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 0.059 -12.669 -16.355 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -0.431 -11.849 -16.285 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 0.889 -12.409 -16.745 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -3.860 -14.779 -0.679 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -4.740 -15.009 -0.389 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -3.980 -14.029 -1.259 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 -0.184 13.673 -2.482 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 0.236 13.503 -1.632 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 -0.544 12.833 -2.752 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 18.366 -18.065 -1.791 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 18.016 -18.655 -2.451 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 19.156 -17.705 -2.191 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 6.987 3.722 3.581 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 7.607 3.042 3.831 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 7.237 4.482 4.101 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 15.103 6.334 -21.440 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 15.443 6.044 -20.600 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 14.983 7.284 -21.340 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 -16.722 0.112 17.091 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 -16.742 -0.798 17.401 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 -15.792 0.282 16.931 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 -14.614 -23.676 23.284 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 -14.734 -22.726 23.384 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 -13.934 -23.766 22.634 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 -1.366 10.474 21.805 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 -1.516 10.814 22.695 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 -1.836 11.084 21.235 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -4.793 0.262 20.179 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -4.753 -0.478 19.569 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -5.123 0.992 19.659 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -3.140 14.583 16.426 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -3.490 13.763 16.766 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -3.910 15.073 16.146 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -8.533 -18.532 6.469 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -8.943 -17.772 6.059 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -7.993 -18.162 7.179 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -24.944 -14.343 -17.451 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -24.414 -13.893 -18.111 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -24.644 -15.253 -17.481 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 -23.974 23.644 -23.173 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 -24.904 23.834 -23.083 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 -23.814 22.944 -22.533 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 -6.722 -1.407 -6.235 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 -6.682 -0.477 -6.015 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 -7.642 -1.557 -6.465 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -3.246 15.970 -14.884 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -3.356 16.870 -15.184 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -2.886 15.510 -15.634 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -25.075 -17.882 2.269 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -24.655 -17.402 2.979 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -24.545 -18.672 2.159 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -3.980 -3.016 15.914 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -3.560 -2.246 15.544 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -3.300 -3.416 16.474 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 6.663 14.861 -14.770 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 6.053 15.551 -15.010 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 6.433 14.121 -15.340 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 -12.296 10.559 16.739 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 -11.386 10.729 16.999 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 -12.636 9.999 17.439 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 10.310 11.989 -17.837 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 10.240 12.869 -17.447 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 10.910 12.109 -18.577 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 5.483 -16.838 8.598 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 5.263 -16.878 7.668 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 5.583 -15.898 8.778 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -22.323 23.801 10.157 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -21.493 23.991 9.707 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -22.053 23.341 10.957 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 7.544 -12.792 20.325 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 7.694 -13.332 19.545 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 7.414 -13.422 21.035 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 10.971 -3.602 4.990 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 11.731 -4.102 4.690 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 11.241 -3.262 5.840 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 16.250 4.611 -15.775 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 15.670 5.331 -16.005 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 16.810 4.491 -16.545 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -14.734 9.597 -22.244 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -15.034 9.187 -23.054 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -14.064 10.217 -22.524 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 22.728 10.417 -7.145 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 22.588 11.047 -7.855 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 22.968 10.967 -6.395 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -21.212 -2.900 -0.081 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -20.592 -2.270 0.309 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -21.472 -2.500 -0.911 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 13.321 12.708 -10.180 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 13.621 12.738 -9.270 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 13.661 11.878 -10.510 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 -10.965 -9.719 -5.785 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 -11.765 -9.399 -6.215 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 -11.275 -10.279 -5.075 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 4.094 -5.983 -17.957 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 4.014 -5.453 -18.757 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 3.264 -6.453 -17.907 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 -21.125 -3.235 11.663 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 -21.655 -3.955 11.313 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 -20.235 -3.585 11.703 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 -2.666 -20.060 4.966 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 -1.776 -20.330 4.746 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 -3.126 -20.870 5.166 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 0.468 1.001 16.555 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 1.048 1.601 17.005 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 0.948 0.171 16.525 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -18.377 17.025 8.102 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -18.807 17.095 8.952 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -19.027 17.375 7.482 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 6.493 18.402 -13.225 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 6.963 19.242 -13.235 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 6.893 17.892 -13.925 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 -3.992 -6.541 -2.148 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 -4.572 -7.031 -2.728 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 -4.382 -5.671 -2.098 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 9.916 22.061 2.154 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 9.046 22.451 2.184 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 9.746 21.121 2.104 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 -24.141 15.170 20.119 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 -23.281 15.030 20.519 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 -24.761 15.020 20.829 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 20.819 -15.105 -0.805 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 20.879 -14.795 0.095 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 21.679 -15.485 -0.985 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -4.524 19.273 -23.169 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -4.174 19.743 -22.409 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -5.314 18.843 -22.839 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 22.091 -9.271 -4.435 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 22.161 -9.601 -3.535 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 21.881 -10.051 -4.955 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -5.200 -24.600 14.230 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -6.040 -24.990 13.990 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -5.420 -23.970 14.930 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -4.333 10.181 -0.324 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -4.893 10.891 -0.014 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -3.993 10.491 -1.164 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 24.056 1.577 -18.913 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 24.496 0.727 -18.823 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 23.196 1.437 -18.523 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -24.340 -16.426 17.279 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -24.320 -17.036 18.019 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -23.790 -15.696 17.559 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 18.738 16.633 -17.353 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 18.498 17.453 -16.933 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 19.318 16.883 -18.073 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 7.949 -9.547 -9.012 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 7.269 -10.107 -9.382 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 8.079 -8.857 -9.662 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -15.077 1.511 22.785 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -15.457 1.121 23.575 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -15.717 2.181 22.525 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 2.239 24.076 0.942 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 2.409 24.996 1.152 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 2.729 23.586 1.592 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 21.663 -5.154 -2.907 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 21.973 -5.364 -2.027 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 21.253 -5.964 -3.207 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 16.015 1.194 20.862 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 16.435 1.964 20.472 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 15.975 1.394 21.802 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -2.237 3.704 -0.288 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -2.357 2.984 0.332 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -2.097 3.274 -1.128 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -19.030 6.526 3.180 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -18.320 5.946 2.920 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -19.290 6.226 4.050 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 9.620 -10.917 12.320 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 9.210 -11.507 11.690 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 10.490 -10.747 11.970 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 -16.513 14.020 14.505 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 -15.743 13.990 13.925 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 -16.803 14.930 14.455 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 23.224 -8.569 5.561 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 22.564 -8.649 4.871 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 23.814 -7.889 5.251 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 -18.889 9.142 4.791 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 -18.189 9.122 4.141 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 -19.589 8.622 4.401 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -0.376 4.110 2.681 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -0.926 4.760 2.241 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -0.536 4.250 3.611 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 -7.045 0.372 18.066 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 -7.635 -0.058 18.676 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 -7.385 0.142 17.196 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 -2.762 1.547 1.435 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 -3.682 1.357 1.255 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 -2.792 2.187 2.145 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -9.114 -23.451 -25.455 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -9.184 -23.831 -24.575 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -8.164 -23.441 -25.625 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 16.508 11.469 2.016 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 16.788 12.289 1.606 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 16.828 11.539 2.916 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 21.775 18.823 -17.054 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 21.245 19.563 -16.784 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 21.525 18.123 -16.444 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 -7.606 15.389 -7.332 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 -7.216 15.999 -7.962 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 -8.226 14.869 -7.852 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 9.403 -21.681 1.211 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 10.293 -21.871 0.901 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 9.413 -20.731 1.361 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 -7.034 5.368 9.762 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 -7.884 4.938 9.852 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 -6.394 4.668 9.942 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 -20.574 10.216 -24.848 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 -20.404 9.366 -24.438 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 -20.644 10.826 -24.118 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 12.580 23.459 -21.085 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 12.680 22.749 -20.445 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 11.650 23.649 -21.105 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 -23.001 8.070 -3.910 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 -22.641 8.200 -4.780 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 -23.301 8.940 -3.650 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 24.704 -24.183 5.068 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 25.054 -23.743 4.298 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 25.454 -24.643 5.448 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 -18.857 -8.362 9.025 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 -18.477 -7.502 8.885 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 -19.367 -8.272 9.835 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -7.921 -11.400 -15.054 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -8.831 -11.250 -14.794 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -7.511 -11.760 -14.264 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -19.259 4.680 -7.031 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -19.609 4.870 -7.901 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -18.389 5.080 -7.021 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 -15.269 14.894 24.195 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 -15.149 15.384 25.015 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 -16.209 14.884 24.065 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 -23.887 22.964 -1.499 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 -23.167 22.544 -1.029 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 -23.577 23.844 -1.689 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 -3.232 -17.235 12.472 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 -3.952 -17.685 12.902 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 -3.012 -16.505 13.052 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 5.990 22.908 -0.224 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 6.860 22.948 -0.634 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 6.130 23.238 0.666 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 20.631 10.963 -1.194 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 20.311 11.853 -1.364 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 20.581 10.533 -2.044 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 9.587 3.177 20.636 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 8.947 3.197 19.926 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 9.327 3.897 21.216 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 -4.850 25.294 -24.949 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 -5.080 25.294 -24.019 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 -4.040 24.784 -24.999 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 14.979 -23.460 18.305 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 14.729 -22.650 17.865 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 14.249 -24.060 18.125 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 1.886 20.371 -24.761 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 1.576 19.701 -25.381 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 2.096 21.121 -25.311 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 -20.680 6.171 1.032 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 -20.220 6.421 1.832 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 -20.870 7.001 0.592 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -0.677 -4.630 23.882 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 0.163 -4.180 23.762 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -1.087 -4.620 23.022 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 -15.463 -23.902 -3.445 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 -15.473 -23.132 -2.875 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 -15.993 -23.642 -4.205 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 10.531 -8.225 9.520 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 10.651 -7.505 8.910 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 9.701 -8.025 9.960 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -2.785 -15.169 13.957 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -2.715 -15.679 14.767 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -3.215 -14.359 14.227 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 8.810 -10.787 -2.104 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 9.010 -11.017 -1.194 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 7.990 -10.307 -2.054 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 9.931 -22.991 10.357 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 9.411 -23.631 10.837 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 9.651 -23.081 9.447 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 -21.826 -16.831 -22.589 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 -21.986 -17.751 -22.379 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 -21.006 -16.621 -22.139 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -4.021 20.451 0.823 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -3.991 20.641 -0.107 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -4.941 20.591 1.073 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 -12.216 -6.428 3.903 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 -12.116 -7.178 4.483 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 -13.146 -6.418 3.673 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 13.636 16.409 -12.195 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 12.966 16.439 -12.885 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 13.946 17.309 -12.135 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 -9.187 4.015 21.249 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 -9.457 4.825 20.809 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 -9.057 4.275 22.159 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 15.965 4.706 -23.961 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 15.735 4.536 -24.871 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 15.415 5.446 -23.711 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -10.783 -12.699 -2.061 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -9.953 -12.259 -1.861 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -10.963 -12.449 -2.971 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 23.606 -13.020 -6.124 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 24.556 -13.150 -6.194 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 23.256 -13.430 -6.914 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 17.326 -16.514 -15.734 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 16.476 -16.444 -15.284 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 17.956 -16.174 -15.094 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 6.011 -13.578 25.271 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 6.131 -12.628 25.191 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 5.521 -13.828 24.491 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 -19.136 -4.066 15.875 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 -19.966 -4.326 15.465 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 -19.346 -3.976 16.805 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 13.681 -2.293 -19.151 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 13.941 -2.733 -19.961 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 14.421 -1.723 -18.941 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 -21.063 -17.907 23.626 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 -20.283 -17.407 23.406 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 -21.093 -18.607 22.976 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 16.563 23.964 12.731 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 16.403 24.874 12.481 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 17.393 23.734 12.311 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 20.145 20.093 19.233 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 19.715 20.513 19.983 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 20.835 20.703 18.973 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 5.038 0.571 23.676 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 5.758 0.381 23.066 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 4.858 -0.279 24.086 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 22.106 -25.371 15.349 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 21.876 -24.561 14.899 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 22.806 -25.121 15.949 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 20.090 24.861 5.482 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 20.150 25.811 5.332 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 19.170 24.651 5.282 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 11.820 -12.860 -17.588 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 12.610 -13.400 -17.678 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 12.120 -11.970 -17.798 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 -15.484 -23.011 -19.251 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 -14.704 -22.631 -19.661 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 -16.184 -22.851 -19.881 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 -2.055 -5.281 -4.425 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 -1.355 -5.861 -4.135 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 -1.775 -4.971 -5.285 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 12.826 -13.760 12.025 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 13.646 -13.930 12.485 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 12.156 -14.200 12.555 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -6.302 11.489 7.155 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -5.632 10.999 6.695 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -6.652 10.879 7.795 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -15.426 8.015 -19.709 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -15.946 7.685 -20.439 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -14.766 8.565 -20.109 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -14.743 13.699 -6.286 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -14.213 12.909 -6.366 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -15.593 13.389 -5.996 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 25.031 -15.739 11.455 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 24.441 -15.749 12.215 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 25.441 -14.869 11.495 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 -8.962 13.935 -1.058 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 -9.012 13.655 -1.978 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 -8.562 14.805 -1.098 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 8.160 -9.206 14.312 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 8.150 -8.306 14.012 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 8.990 -9.566 14.002 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -15.715 15.854 19.643 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -15.935 16.504 18.973 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -15.545 15.044 19.153 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -10.406 -9.437 -2.579 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -9.816 -8.707 -2.389 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -9.866 -10.047 -3.089 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 9.339 -1.942 -18.512 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 8.939 -1.852 -17.642 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 9.889 -1.162 -18.602 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 -6.414 -24.873 -2.658 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -5.474 -24.983 -2.798 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 -6.814 -25.583 -3.168 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 -3.194 -13.372 1.885 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 -2.414 -12.832 1.785 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 -3.924 -12.762 1.835 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 -11.403 -17.445 7.589 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 -10.583 -17.495 7.089 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 -11.203 -16.865 8.329 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 -7.137 -12.440 24.559 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 -6.417 -12.280 23.959 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 -7.927 -12.370 24.019 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 12.424 -2.326 -13.619 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 13.034 -2.996 -13.929 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 12.774 -1.506 -13.949 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 2.278 20.075 5.935 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 1.978 20.335 5.065 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 2.288 20.885 6.445 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 -13.919 -10.980 19.006 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 -14.249 -11.720 19.516 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 -14.429 -11.010 18.196 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 4.713 13.297 6.144 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 4.373 12.617 5.554 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 3.943 13.767 6.434 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 9.465 5.257 -12.653 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 9.895 6.067 -12.913 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 8.945 4.997 -13.423 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 19.395 -16.193 -21.057 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 18.525 -16.543 -20.867 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 19.995 -16.773 -20.577 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 25.025 20.783 3.184 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 25.315 19.913 2.904 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 25.045 20.743 4.144 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 22.806 15.902 -21.164 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 23.406 15.962 -20.424 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 22.616 14.972 -21.254 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 7.771 -9.126 10.526 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 7.341 -9.676 9.876 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 8.351 -9.726 11.006 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 16.590 -18.925 -21.795 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 16.680 -18.645 -20.885 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 15.940 -19.625 -21.765 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 12.301 -22.914 -10.278 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 11.541 -23.494 -10.278 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 13.041 -23.494 -10.448 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 21.691 15.273 -6.458 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 21.031 15.593 -5.838 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 22.081 14.513 -6.028 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 9.324 -22.555 -2.178 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 9.804 -22.895 -2.928 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 8.424 -22.465 -2.488 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 -7.022 -16.179 -16.288 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 -7.802 -16.689 -16.058 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 -6.562 -16.729 -16.918 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 -0.497 -22.152 21.835 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 -1.317 -22.642 21.725 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 -0.097 -22.162 20.965 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 8.555 -13.207 -23.681 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 8.985 -13.867 -24.221 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 7.705 -13.077 -24.111 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 -5.196 19.186 -10.008 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 -5.836 19.866 -10.238 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 -4.406 19.676 -9.768 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 21.456 2.246 10.542 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 21.966 2.306 11.342 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 21.566 3.096 10.112 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 20.698 -15.367 -5.074 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 21.438 -15.967 -4.964 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 20.218 -15.707 -5.834 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 -13.272 -14.571 -1.821 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 -13.182 -15.481 -2.121 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 -12.372 -14.281 -1.671 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 -10.920 -12.231 -7.793 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 -10.180 -12.581 -7.293 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 -11.110 -11.391 -7.383 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -17.307 -20.420 17.279 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -17.267 -19.570 16.849 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -16.647 -20.370 17.979 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.199 -7.793 -15.794 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.489 -6.883 -15.704 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -15.799 -8.173 -16.434 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 7.541 -20.581 24.000 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 7.982 -19.751 24.170 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 6.941 -20.391 23.280 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 0.386 23.834 -1.255 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 -0.054 24.354 -1.925 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 1.156 24.354 -1.015 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -3.806 -23.731 -22.168 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -3.306 -23.341 -22.888 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -4.716 -23.541 -22.378 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 12.221 16.166 4.806 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 11.321 16.066 5.106 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 12.741 16.186 5.606 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 10.644 22.096 8.202 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 11.254 22.306 8.902 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 11.174 21.636 7.552 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 -21.964 -14.531 10.302 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 -21.964 -15.191 11.002 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 -21.514 -14.961 9.572 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -17.394 -20.608 -7.736 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -17.454 -21.518 -8.016 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -16.824 -20.188 -8.386 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 9.624 16.040 5.496 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 8.894 15.650 5.976 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 9.244 16.800 5.056 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -5.227 -11.244 -2.158 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -6.057 -11.314 -1.678 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -4.557 -11.274 -1.478 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 -3.800 -14.588 18.963 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 -4.530 -15.158 19.203 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 -3.180 -14.658 19.683 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 2.120 16.531 -14.833 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 1.400 17.071 -14.503 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 2.350 16.921 -15.673 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 -23.784 -23.045 1.312 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 -22.994 -23.135 0.772 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 -24.504 -23.245 0.712 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 1.239 8.623 16.251 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 1.239 7.683 16.071 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 1.679 9.013 15.491 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 0.819 8.965 -8.829 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 1.509 8.305 -8.729 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 0.739 9.365 -7.959 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 -20.157 4.429 -13.325 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 -20.717 3.699 -13.575 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 -19.277 4.149 -13.575 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 16.390 1.395 -9.012 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 16.950 1.195 -9.762 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 16.990 1.655 -8.312 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -17.267 1.510 2.712 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -16.647 0.810 2.502 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -17.447 1.400 3.642 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 -1.007 12.649 9.490 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 -0.357 13.169 9.020 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 -1.317 12.019 8.830 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -2.212 -20.505 0.220 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -3.112 -20.285 -0.020 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -1.692 -20.275 -0.550 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 18.629 -20.718 -8.260 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 18.549 -21.668 -8.350 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 19.339 -20.478 -8.850 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 24.533 23.514 -5.378 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 24.872 23.364 -6.268 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 23.723 23.994 -5.508 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -20.800 -8.279 -2.158 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -20.510 -7.799 -2.938 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -20.000 -8.649 -1.798 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.817 -15.286 -19.300 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.867 -15.916 -20.010 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 22.727 -15.096 -19.080 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -9.625 4.478 -6.892 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -8.775 4.318 -7.302 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -9.705 3.788 -6.232 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 8.193 2.405 16.243 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 8.103 2.875 15.413 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 8.043 3.075 16.913 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -20.803 -12.631 -15.672 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -20.223 -11.921 -15.922 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -20.383 -13.421 -16.002 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -6.650 -13.318 -3.548 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -5.850 -12.868 -3.268 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -6.350 -13.988 -4.158 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 11.087 9.495 -22.018 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 10.657 9.535 -22.868 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 10.977 10.375 -21.658 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 -4.035 -3.053 -13.090 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 -4.115 -3.963 -12.800 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 -4.845 -2.643 -12.790 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 -0.885 -12.165 -5.915 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 0.065 -12.205 -6.015 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 -1.025 -12.145 -4.975 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 -10.056 7.838 -8.800 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 -10.596 7.128 -9.130 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 -9.156 7.578 -9.030 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 25.343 19.905 6.032 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 24.643 20.185 6.622 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 25.673 19.095 6.422 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -10.027 -23.831 -4.801 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -9.977 -24.761 -4.991 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -9.197 -23.471 -5.111 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 -18.830 20.396 -18.238 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 -19.050 21.236 -17.838 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 -17.950 20.206 -17.938 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -7.897 -6.105 15.275 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -8.817 -5.945 15.485 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -7.547 -5.235 15.085 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 12.359 -18.627 -21.046 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 11.589 -18.897 -20.536 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 12.819 -18.017 -20.476 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 -19.132 -9.210 -9.599 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 -18.352 -8.650 -9.629 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 -19.842 -8.630 -9.889 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 12.373 -23.430 20.194 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 12.853 -22.650 19.924 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 12.473 -23.450 21.144 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 24.345 13.320 6.391 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 24.735 14.160 6.171 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 23.685 13.170 5.711 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 -9.648 -6.937 -2.731 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 -9.359 -6.407 -1.991 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 -10.499 -6.567 -2.971 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 -24.146 -7.495 0.622 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 -23.316 -7.015 0.602 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 -24.816 -6.825 0.462 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 -14.302 2.913 -10.962 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 -15.002 2.393 -10.572 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 -14.712 3.363 -11.692 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -1.105 15.572 -9.062 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -0.365 15.052 -8.722 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -1.875 15.202 -8.642 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 4.689 0.395 4.947 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 3.929 0.765 5.407 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 5.069 -0.235 5.557 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 -22.320 9.983 7.668 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 -23.030 9.653 7.118 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 -22.500 10.913 7.758 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -1.485 -17.097 8.995 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -1.205 -16.287 8.565 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -2.045 -17.527 8.355 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 6.308 -23.829 -22.118 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 7.058 -24.249 -22.528 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 6.378 -22.899 -22.368 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -5.042 5.013 -10.181 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -4.832 5.903 -9.901 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -4.532 4.453 -9.591 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 5.401 3.033 20.264 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 5.311 2.733 21.174 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 4.691 2.583 19.804 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 16.198 9.011 -9.028 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 16.818 9.741 -9.038 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 16.708 8.281 -8.678 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 5.859 4.313 -0.584 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 6.109 3.983 -1.454 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 6.629 4.783 -0.274 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 -18.052 -11.938 -10.693 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 -18.702 -12.368 -11.253 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 -18.552 -11.668 -9.923 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 22.904 -2.994 21.012 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 23.204 -2.394 20.322 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 22.194 -2.534 21.442 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.365 4.522 9.442 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 13.905 3.922 10.042 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 15.105 4.852 9.952 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 23.508 -20.263 2.857 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 23.928 -19.423 3.057 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 23.718 -20.413 1.927 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -24.333 -14.317 -22.765 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -25.013 -14.917 -23.055 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -23.543 -14.617 -23.225 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 22.963 -20.880 -23.908 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 22.873 -21.820 -23.808 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 22.073 -20.540 -23.838 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 -7.193 -6.559 3.393 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 -7.763 -6.119 2.773 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 -7.793 -7.009 3.993 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 0.341 -15.178 -18.411 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 0.111 -14.258 -18.301 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -0.189 -15.458 -19.161 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 20.735 17.122 -20.146 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 21.225 16.652 -20.816 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.385 17.692 -19.726 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 -12.074 16.871 21.562 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 -11.754 17.271 20.752 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 -11.474 16.141 21.722 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -18.169 -11.581 7.882 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -17.259 -11.351 7.722 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -18.559 -10.801 8.282 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 7.309 21.553 -7.521 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 6.669 22.263 -7.471 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 7.339 21.203 -6.631 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -11.005 13.992 -4.351 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -10.225 14.492 -4.121 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -11.475 14.542 -4.981 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -17.353 -5.381 -17.371 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -17.333 -5.811 -16.521 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -17.023 -6.041 -17.981 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -3.506 -19.092 -10.969 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -3.246 -19.692 -11.669 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -3.636 -18.252 -11.419 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 12.870 9.623 8.512 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 12.870 9.293 9.412 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 13.140 8.873 7.982 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 9.243 -22.671 23.198 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 8.633 -22.161 23.738 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 8.753 -22.841 22.388 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 22.275 6.894 22.275 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 22.595 7.414 21.535 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 21.455 7.324 22.525 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 21.624 -5.868 13.272 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 20.974 -6.298 12.712 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 21.254 -5.918 14.152 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -1.164 13.359 -13.678 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -0.514 13.459 -14.378 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -1.134 14.189 -13.208 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -20.303 -11.460 -20.752 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -20.543 -11.760 -21.632 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -19.603 -12.060 -20.482 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 -20.125 -22.862 6.109 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 -20.065 -22.932 5.159 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 -19.225 -22.942 6.409 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 -19.321 -14.838 -16.895 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 -19.161 -15.618 -16.375 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 -18.801 -14.978 -17.695 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 5.136 13.424 -24.578 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 5.316 13.934 -23.778 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 4.436 12.824 -24.328 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -5.375 18.636 7.269 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -4.715 19.286 7.489 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -5.345 18.566 6.319 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 13.167 0.739 17.417 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 12.707 -0.031 17.097 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 13.707 1.019 16.677 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 -15.029 -5.947 4.417 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 -15.719 -6.607 4.337 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 -15.059 -5.687 5.347 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 15.915 -4.778 11.023 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 16.195 -4.138 11.683 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 16.235 -5.618 11.353 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 20.225 2.851 4.265 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 20.325 3.341 3.455 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 20.385 1.941 4.015 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 0.810 -18.928 3.651 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 -0.110 -19.148 3.821 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 1.190 -19.738 3.321 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -16.735 -5.277 16.705 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -16.855 -4.327 16.765 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -17.575 -5.607 16.375 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 18.857 -9.585 20.605 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 19.317 -10.215 21.155 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 17.937 -9.835 20.695 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 17.811 -13.035 -20.777 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 17.131 -13.605 -20.437 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 18.051 -12.475 -20.037 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 6.901 -21.816 2.499 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 7.801 -21.686 2.199 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 6.491 -22.326 1.799 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 -16.404 -19.190 14.105 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 -15.634 -18.780 13.705 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 -16.834 -18.480 14.575 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 16.844 -20.109 11.706 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 17.314 -19.439 12.186 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 15.954 -20.089 12.066 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 -14.363 16.304 -0.877 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 -14.553 15.374 -0.987 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 -13.863 16.354 -0.067 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 11.602 13.295 12.402 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 12.531 13.125 12.302 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 11.231 13.155 11.532 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 19.177 -3.851 10.164 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 18.517 -3.171 10.114 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 19.497 -3.951 9.264 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 21.374 -13.636 12.422 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 21.224 -14.226 13.162 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 21.634 -14.216 11.702 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 -13.303 -10.517 -11.159 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 -13.283 -10.457 -12.109 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 -12.693 -11.217 -10.939 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 -20.203 -2.752 -23.570 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 -19.453 -2.882 -24.140 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 -19.873 -2.212 -22.850 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 23.800 23.274 3.472 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 24.450 23.954 3.302 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 24.290 22.454 3.422 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 8.875 24.913 -3.828 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 8.145 25.503 -3.978 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 8.525 24.033 -3.968 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 13.160 7.843 -9.523 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 12.440 8.463 -9.613 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 13.870 8.353 -9.123 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 9.857 -18.762 -15.138 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 8.957 -18.602 -14.848 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 10.307 -19.092 -14.358 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 -15.487 -10.719 -0.904 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 -16.087 -10.269 -1.494 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 -15.697 -11.649 -0.994 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 0.238 -2.137 0.526 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 0.348 -2.717 -0.224 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -0.692 -1.927 0.526 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 23.058 -15.856 13.483 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 22.878 -15.846 14.423 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 23.058 -16.786 13.253 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 14.607 -4.062 -25.418 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 15.077 -3.232 -25.338 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 14.387 -4.302 -24.518 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 13.878 9.684 2.562 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 13.858 8.874 3.072 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 13.618 10.364 3.182 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -21.331 -13.083 15.122 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -20.771 -13.793 15.452 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -20.761 -12.593 14.532 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 4.886 11.021 11.281 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 5.306 11.881 11.381 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 5.496 10.511 10.761 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 12.511 7.090 -15.026 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 13.281 7.050 -14.466 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 12.861 7.050 -15.916 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 -16.066 3.019 9.720 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 -16.086 2.129 10.080 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 -15.586 2.929 8.900 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 -4.569 1.621 16.080 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 -5.269 2.021 16.600 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 -3.949 2.331 15.940 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 11.268 1.567 -7.747 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 11.088 2.207 -7.067 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 11.608 2.077 -8.487 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 16.489 13.921 24.951 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 17.279 14.401 25.211 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 16.809 13.201 24.411 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -21.426 1.903 -23.706 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -20.766 1.323 -23.316 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -21.876 2.293 -22.956 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 8.436 -22.683 14.252 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 7.966 -21.863 14.062 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 9.276 -22.393 14.602 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 15.314 7.495 -16.004 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 15.134 8.425 -16.124 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 15.874 7.455 -15.224 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 -7.416 24.229 -21.014 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 -7.776 23.439 -20.614 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 -6.776 23.899 -21.654 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 22.610 -8.109 21.891 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 23.550 -7.979 22.051 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 22.200 -7.299 22.181 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -10.356 -10.576 11.880 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -10.266 -11.306 12.490 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -10.556 -9.826 12.430 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 -21.674 -18.718 5.445 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 -22.254 -18.428 6.155 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 -20.794 -18.588 5.795 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -8.881 -11.958 14.649 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -9.431 -12.088 15.419 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -8.521 -11.078 14.759 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -17.592 -11.102 -16.187 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -17.622 -10.162 -15.987 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -17.672 -11.532 -15.337 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -16.722 -18.742 23.839 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -17.372 -19.012 24.489 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -15.922 -18.592 24.349 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 4.106 -4.626 -3.708 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.436 -4.986 -2.888 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 4.296 -5.296 -4.368 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.178 -9.757 -20.861 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.148 -10.097 -21.751 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.748 -8.907 -20.911 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 4.741 0.701 -18.457 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 5.651 0.611 -18.757 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 4.421 -0.199 -18.377 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -2.301 -6.999 14.401 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -2.771 -7.199 13.591 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -2.481 -6.069 14.561 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 -18.474 6.570 22.515 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 -18.734 7.420 22.885 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 -19.304 6.100 22.415 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 4.238 -22.075 -13.246 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 3.328 -21.765 -13.216 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 4.618 -21.625 -13.996 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 10.236 2.761 25.305 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 10.956 3.391 25.355 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 10.446 2.211 24.555 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 13.219 -12.279 20.249 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 13.699 -12.749 20.939 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 12.929 -11.469 20.669 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -13.890 23.513 0.452 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -13.700 22.973 -0.318 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -13.380 24.313 0.312 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -8.445 -2.818 -16.545 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -7.605 -2.858 -16.095 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -8.755 -1.918 -16.405 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -22.314 -15.422 24.575 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -21.774 -16.212 24.495 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -21.734 -14.782 24.985 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -12.029 4.642 -16.345 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -12.229 3.982 -15.675 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -12.709 5.302 -16.225 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -12.192 5.399 -20.165 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -11.702 5.509 -19.345 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -13.042 5.039 -19.885 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -21.925 6.151 13.616 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -22.265 5.771 12.806 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -21.425 5.431 14.026 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 -0.060 -10.090 14.492 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 -0.040 -10.890 15.012 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 0.770 -9.660 14.672 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -2.513 -6.750 0.099 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -3.073 -6.820 -0.661 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 -2.623 -5.850 0.399 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 4.501 3.112 13.542 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 4.471 2.712 14.412 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 3.631 3.502 13.432 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 -10.092 -11.453 -25.100 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 -10.632 -11.943 -24.480 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 -9.602 -12.123 -25.580 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 -1.393 -8.152 -17.663 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 -2.213 -8.572 -17.923 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 -1.383 -7.332 -18.163 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 -15.065 23.866 13.438 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 -15.815 24.366 13.128 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 -15.285 23.646 14.348 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 -16.115 24.651 -23.188 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 -17.035 24.661 -22.918 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 -15.755 23.861 -22.778 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -12.190 -7.395 -1.359 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -11.570 -7.215 -0.649 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -11.730 -8.005 -1.929 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 23.220 -11.095 20.816 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 22.680 -11.305 20.056 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 22.800 -10.335 21.206 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 11.965 -0.799 -2.424 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 11.575 -1.519 -2.904 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 12.255 -0.179 -3.094 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 18.454 22.964 7.957 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 18.874 22.124 8.107 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 19.174 23.604 7.997 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 17.196 21.186 -20.065 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 16.436 21.716 -20.335 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 17.016 20.966 -19.155 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 1.763 3.185 17.370 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 1.313 3.935 17.760 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 2.653 3.235 17.720 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.776 7.107 -7.837 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.606 7.637 -7.057 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -6.636 6.207 -7.557 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -19.035 24.683 17.044 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -19.125 25.613 16.874 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 -19.935 24.383 17.214 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 2.659 -0.474 14.573 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 3.099 -0.394 13.723 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 2.879 0.336 15.033 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -5.407 -0.090 -11.164 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -5.907 0.590 -10.714 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -5.787 -0.130 -12.034 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -3.446 -22.815 18.150 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -2.956 -22.665 17.330 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -4.286 -22.385 18.010 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 5.846 12.880 23.167 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 6.716 13.270 23.217 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 5.586 12.730 24.077 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -8.395 8.663 -16.673 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -7.995 7.923 -16.213 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -9.335 8.553 -16.523 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 13.109 -12.420 8.127 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 12.489 -12.110 8.787 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 13.089 -11.760 7.437 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 2.241 -15.372 10.681 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 2.921 -15.902 11.101 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 1.421 -15.722 11.021 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 9.441 11.630 19.461 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 10.131 12.060 19.971 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 8.661 12.160 19.611 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -8.154 -11.775 -1.645 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -8.174 -12.105 -0.745 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -7.764 -12.475 -2.155 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -7.433 3.564 -4.860 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -7.863 2.944 -4.280 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -6.493 3.434 -4.690 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 -2.134 -24.461 3.931 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 -2.214 -23.901 3.161 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 -2.064 -25.351 3.561 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -3.192 -0.908 -19.681 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -3.722 -0.908 -20.481 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -2.292 -0.778 -19.981 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 5.021 -8.725 -11.530 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 4.741 -9.565 -11.160 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 5.621 -8.965 -12.240 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 -18.242 -23.878 -7.935 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 -17.832 -24.738 -7.865 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 -19.172 -24.038 -7.775 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 11.060 -1.143 21.606 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 11.320 -0.393 21.066 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 11.880 -1.513 21.926 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 -4.672 -22.390 -3.528 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 -4.502 -22.030 -4.398 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 -4.662 -21.630 -2.948 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 15.261 14.913 9.140 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 15.821 15.633 8.860 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 14.771 15.263 9.890 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 15.090 -17.839 -24.704 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 14.550 -18.189 -24.004 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 15.120 -18.529 -25.364 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 -14.103 9.754 20.728 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 -14.753 9.394 20.128 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 -14.613 10.264 21.358 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 9.151 -1.234 9.914 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 9.141 -0.974 8.984 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 9.931 -0.794 10.264 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 -23.174 -16.544 20.806 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 -23.494 -16.524 21.706 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 -22.484 -15.884 20.786 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 12.970 -10.381 12.407 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 13.040 -9.471 12.097 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 13.370 -10.361 13.277 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 8.773 -12.430 0.239 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 9.423 -12.960 0.699 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 8.093 -13.060 -0.021 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 -13.121 0.907 -22.772 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 -14.011 0.847 -23.112 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 -12.871 1.817 -22.902 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 -19.006 -16.496 -4.278 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 -18.076 -16.656 -4.118 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 -19.306 -17.276 -4.748 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 11.204 20.420 -8.729 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 11.874 20.370 -8.049 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 10.464 19.930 -8.379 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -7.210 -7.838 18.800 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -7.480 -7.128 18.210 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -6.320 -8.048 18.530 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 20.876 2.478 -12.593 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 21.386 3.288 -12.493 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 20.486 2.538 -13.463 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 -23.479 5.439 -8.534 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 -22.739 4.839 -8.434 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 -23.879 5.469 -7.664 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 14.075 12.430 11.639 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 14.365 11.690 12.159 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 14.665 12.440 10.879 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 18.736 2.540 -25.054 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 18.776 2.960 -25.914 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 18.336 3.190 -24.484 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -25.105 -21.142 9.867 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -25.755 -21.582 10.407 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -24.645 -21.852 9.417 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 1.771 23.494 -12.091 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 1.831 22.554 -12.251 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 2.461 23.674 -11.441 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -5.572 -7.645 -11.130 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -5.902 -7.705 -10.230 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -4.882 -8.305 -11.180 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 -3.433 -14.717 22.112 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 -4.203 -15.267 21.992 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 -2.693 -15.327 22.132 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -22.600 5.105 4.745 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -21.690 5.085 5.045 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -22.760 6.025 4.535 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 17.804 -10.050 -20.188 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.914 -9.100 -20.278 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.924 -10.230 -20.538 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -3.421 -16.647 -23.291 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -4.091 -16.037 -23.591 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -3.911 -17.287 -22.761 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 -14.223 11.713 18.714 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 -14.203 12.643 18.494 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 -13.393 11.373 18.384 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 -24.671 -18.724 11.403 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 -25.071 -17.864 11.483 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 -25.141 -19.134 10.663 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 20.759 22.690 -16.178 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 20.919 23.550 -16.578 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 21.449 22.590 -15.528 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 -22.866 -3.799 3.339 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 -22.336 -3.959 4.109 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 -23.396 -3.029 3.559 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 15.581 7.795 -3.939 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 15.401 7.195 -4.659 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 15.711 8.645 -4.359 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -11.806 -11.021 -0.311 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -11.436 -11.751 -0.831 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -11.966 -10.331 -0.951 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 11.061 3.466 -5.893 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 11.991 3.686 -5.923 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.611 4.266 -6.143 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 3.597 -8.791 22.236 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 2.787 -9.281 22.326 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 3.547 -8.391 21.366 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -12.111 -9.655 24.951 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -11.281 -10.075 25.211 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -12.541 -10.295 24.381 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 18.614 -2.019 -20.847 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 19.334 -2.579 -20.567 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 18.364 -1.539 -20.057 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -17.627 -7.105 -24.641 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -16.747 -7.365 -24.391 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -17.497 -6.465 -25.351 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 -22.821 -10.031 -20.627 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 -22.681 -9.221 -21.117 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 -21.941 -10.341 -20.407 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 -12.753 15.639 -5.935 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 -13.303 16.289 -5.505 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 -13.373 14.979 -6.265 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 7.058 18.305 23.082 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 6.598 17.505 23.352 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 6.458 18.725 22.462 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 12.015 -17.112 -0.173 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 12.925 -17.352 0.007 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 11.955 -16.182 0.047 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 18.403 23.129 -18.950 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 18.093 22.629 -18.190 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 18.013 22.679 -19.700 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 -13.344 9.632 13.711 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 -12.494 9.522 13.271 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 -13.334 10.532 14.021 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 21.360 -19.186 20.611 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 20.770 -18.506 20.281 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 20.890 -19.576 21.351 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -23.197 -24.623 5.826 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -22.387 -24.143 5.706 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -23.097 -25.403 5.286 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -14.006 -0.496 -4.144 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -14.786 -1.026 -4.324 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -14.346 0.254 -3.644 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 21.758 13.208 -25.200 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 22.178 12.408 -25.510 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 21.818 13.148 -24.240 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -6.806 -13.259 2.917 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -6.906 -13.719 3.757 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -6.066 -12.669 3.057 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 -7.976 10.017 -10.905 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 -7.606 10.577 -10.225 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 -8.916 10.177 -10.865 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -7.579 23.690 -6.301 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -7.139 24.550 -6.281 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -7.279 23.290 -7.121 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -20.397 18.848 3.172 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -19.637 19.408 3.072 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -20.537 18.448 2.312 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 9.715 -4.597 -0.804 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 8.885 -4.817 -0.384 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 9.495 -4.407 -1.714 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -19.401 4.035 -1.881 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -20.191 3.535 -2.111 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -18.981 3.515 -1.201 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 14.759 -3.033 17.145 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 14.739 -2.103 16.905 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 13.899 -3.363 16.885 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 -2.891 -10.267 -5.535 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 -2.371 -10.977 -5.895 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 -2.571 -10.167 -4.635 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 8.067 18.918 7.969 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 8.437 18.288 8.589 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 8.737 19.598 7.889 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -3.440 10.790 19.352 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -2.890 10.220 19.892 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -3.810 11.420 19.962 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 -23.587 -2.385 20.726 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 -23.427 -2.405 21.666 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 -22.717 -2.435 20.326 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -8.337 -23.942 -8.528 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -7.517 -23.462 -8.628 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -8.167 -24.792 -8.938 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -9.952 -4.557 8.912 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -9.492 -5.397 8.902 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -9.652 -4.107 8.122 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 13.525 -12.715 24.361 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 13.565 -13.445 23.741 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 12.985 -12.065 23.931 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -13.338 -3.437 -13.751 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 -13.458 -3.257 -14.691 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 -12.409 -3.677 -13.681 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -17.689 -17.719 16.936 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -18.259 -17.069 16.526 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -17.059 -17.199 17.436 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 23.533 4.354 23.631 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.803 3.744 23.561 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 23.333 5.054 23.011 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 2.923 -18.947 -8.440 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 3.373 -18.137 -8.180 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 2.583 -18.767 -9.310 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 4.153 10.884 16.639 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 4.243 11.594 17.269 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 4.313 10.094 17.139 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -19.729 14.824 -21.294 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -20.159 15.664 -21.424 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -20.339 14.314 -20.754 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 -21.552 8.597 -15.035 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 -20.972 8.017 -15.535 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -22.402 8.157 -15.045 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -5.483 -18.472 -17.925 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -5.233 -19.042 -18.645 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -6.423 -18.602 -17.815 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 -16.310 -3.108 -1.331 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 -16.900 -2.358 -1.241 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 -16.650 -3.758 -0.711 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 -2.304 12.721 23.166 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 -2.214 13.571 22.756 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 -2.224 12.891 24.106 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.095 -19.177 12.156 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 9.465 -18.687 12.686 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 10.355 -19.917 12.716 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 8.086 -9.307 -21.164 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 8.816 -8.687 -21.104 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 7.946 -9.417 -22.104 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 3.658 -20.378 -6.079 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 4.448 -19.998 -5.709 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 3.408 -19.768 -6.779 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -20.424 2.143 7.784 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -21.174 2.573 8.204 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -19.724 2.783 7.854 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 8.420 -2.623 -23.939 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 9.360 -2.763 -24.049 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 8.310 -2.463 -22.999 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 8.466 -4.496 -4.724 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 7.666 -4.196 -4.284 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 8.906 -3.686 -4.974 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -24.923 -0.962 16.836 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -25.243 -0.072 16.656 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -24.453 -1.212 16.046 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -2.006 13.461 3.473 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -1.976 13.421 4.433 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -2.176 12.571 3.193 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 11.857 -23.569 23.295 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 10.937 -23.339 23.365 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 12.227 -23.379 24.155 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 -12.638 -23.584 -5.046 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 -11.689 -23.684 -4.986 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 -12.909 -23.334 -4.156 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 -22.431 22.301 12.355 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 -23.221 22.721 12.705 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 -22.741 21.451 12.025 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 -22.662 13.051 -6.498 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 -22.522 12.121 -6.638 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 -23.592 13.191 -6.678 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -9.479 -23.871 11.722 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -8.679 -23.351 11.722 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -9.309 -24.571 11.082 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 22.846 -3.313 -4.841 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 23.726 -3.513 -5.171 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 22.836 -3.633 -3.941 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 8.395 16.915 -23.294 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 9.315 16.945 -23.034 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 8.205 17.805 -23.594 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 -12.114 -19.673 12.812 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 -11.854 -19.493 11.912 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 -13.044 -19.873 12.762 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -5.473 7.493 8.631 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -5.673 6.563 8.681 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -6.293 7.933 8.851 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 4.244 -13.850 -2.815 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 3.294 -13.800 -2.795 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 4.544 -12.990 -2.515 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 -21.627 24.518 14.110 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 -20.967 25.148 13.840 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 -22.427 25.038 14.220 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -24.833 8.715 3.567 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -25.083 8.165 2.827 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -25.073 8.215 4.337 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.886 2.106 -18.504 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -4.816 2.106 -18.694 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.496 2.636 -19.204 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 6.435 0.184 -15.370 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 6.795 -0.096 -16.210 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 7.115 0.734 -14.990 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -22.517 -20.820 -1.472 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -22.277 -21.240 -2.292 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -21.757 -20.280 -1.252 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -23.000 1.123 -5.682 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -22.450 1.273 -4.922 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -23.800 0.723 -5.332 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 -13.027 6.844 -22.265 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 -12.607 6.124 -21.795 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 -13.967 6.694 -22.125 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 4.678 11.196 1.912 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 3.938 10.986 1.342 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 4.698 12.156 1.922 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 -23.722 -13.640 17.329 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 -24.102 -13.330 16.509 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 -23.022 -13.020 17.529 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 -9.113 -18.844 -3.703 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 -8.523 -18.184 -4.073 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 -8.843 -18.914 -2.783 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 16.300 -11.548 17.019 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 17.180 -11.168 16.999 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 15.800 -11.028 16.389 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 5.535 -18.803 -4.948 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 5.755 -18.293 -4.158 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 5.525 -18.153 -5.648 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 19.941 20.360 14.415 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 19.951 20.220 15.365 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 19.941 21.310 14.315 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 1.875 2.465 -13.721 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 1.495 1.645 -13.401 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 2.695 2.205 -14.131 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -20.561 -7.158 4.842 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -21.051 -6.428 5.202 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -21.031 -7.398 4.042 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 -24.083 12.985 -12.482 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 -23.143 12.835 -12.512 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 -24.233 13.415 -11.642 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 13.916 -0.396 20.411 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 13.966 -0.636 19.481 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 14.586 0.284 20.511 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 23.571 1.221 4.480 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 24.401 1.261 4.950 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 23.011 0.671 5.030 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 4.686 11.733 -6.888 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 4.596 10.913 -7.368 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 5.576 11.723 -6.538 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -7.005 11.685 -18.450 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -7.785 12.055 -18.030 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -6.655 11.065 -17.800 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -17.905 24.706 -2.021 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -18.825 24.806 -1.771 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.415 25.146 -1.331 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 22.143 -11.742 25.071 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 22.313 -10.812 24.951 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 22.853 -12.182 24.601 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 10.435 1.831 -3.974 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 10.745 2.321 -4.734 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 11.165 1.861 -3.354 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 15.340 5.950 -18.768 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 15.280 6.870 -18.508 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 16.220 5.680 -18.488 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -23.882 -7.092 19.815 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -24.152 -7.522 19.005 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -24.552 -7.342 20.455 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -13.201 -11.819 -16.553 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -12.791 -11.089 -16.083 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -13.931 -11.409 -17.023 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -24.137 5.223 -15.535 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -23.937 6.093 -15.215 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -25.077 5.243 -15.725 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 -14.904 22.582 19.909 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 -14.174 21.962 19.929 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 -15.264 22.552 20.789 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -4.314 -22.490 10.847 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -4.164 -22.390 9.907 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -3.884 -21.720 11.237 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -16.579 -17.035 -13.480 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -17.169 -16.745 -12.780 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -16.119 -17.785 -13.110 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 22.014 -21.309 -8.991 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 22.724 -20.829 -9.421 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 22.204 -21.239 -8.061 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -6.907 7.553 -14.778 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -6.407 7.163 -14.058 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -7.497 8.163 -14.338 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -1.472 -19.632 -2.409 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -0.722 -19.222 -2.819 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -1.602 -20.442 -2.899 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -15.322 -4.306 7.074 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -14.432 -4.326 7.434 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -15.272 -3.646 6.374 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 -24.281 -5.306 15.656 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 -24.621 -4.746 16.366 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 -24.711 -6.156 15.806 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 18.959 6.475 8.562 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 18.309 5.945 8.092 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 19.649 6.645 7.912 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 -17.499 1.188 5.539 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 -17.129 0.308 5.499 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 -18.099 1.158 6.289 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 -18.185 -6.307 1.901 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 -18.015 -6.587 2.801 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 -18.195 -5.347 1.951 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.574 23.622 6.991 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.844 23.002 6.321 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -16.234 24.322 6.971 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -14.815 -19.088 -0.019 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -15.325 -19.278 -0.809 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -15.475 -19.038 0.681 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 7.898 -6.661 0.309 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 7.868 -6.981 1.209 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 8.548 -7.221 -0.131 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 -0.973 23.394 3.663 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 -1.173 22.604 4.163 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 -1.083 23.124 2.743 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 0.474 12.965 -18.473 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 0.294 12.025 -18.473 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 -0.186 13.335 -17.883 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 11.625 11.731 -20.420 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 12.355 11.261 -20.010 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 11.875 12.651 -20.380 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 9.967 8.970 20.885 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 10.337 9.550 20.215 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 9.547 9.570 21.505 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 -18.399 -11.267 -6.925 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 -18.819 -10.547 -7.395 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 -18.949 -12.027 -7.125 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 10.521 20.330 16.849 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 10.251 21.230 17.059 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 11.141 20.100 17.539 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 13.547 24.370 -25.148 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 14.287 24.530 -24.578 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 13.697 24.930 -25.908 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 -15.335 -22.723 4.901 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 -15.335 -22.373 4.011 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 -14.845 -22.093 5.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 -19.036 -14.393 9.607 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 -19.166 -13.933 10.427 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 -18.586 -13.763 9.037 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -6.657 8.365 19.300 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -6.637 9.045 18.630 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -7.137 7.645 18.900 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 23.145 -11.718 6.941 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 23.315 -11.308 7.791 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 23.795 -11.318 6.361 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 20.994 -23.299 -17.055 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 20.174 -23.139 -16.585 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 21.674 -22.959 -16.475 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 23.675 24.440 -16.033 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 24.195 25.220 -15.803 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 23.485 24.550 -16.963 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -23.296 10.759 5.312 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -24.216 10.559 5.432 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -23.286 11.669 5.022 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 10.804 -19.900 -5.134 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 11.514 -19.960 -5.774 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 11.244 -19.890 -4.284 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -4.455 -21.428 8.163 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -3.555 -21.148 8.353 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -4.505 -21.448 7.213 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 -14.895 18.650 -22.780 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 -14.865 17.700 -22.880 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 -14.005 18.940 -22.960 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 6.851 -7.147 18.945 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 6.671 -6.687 19.765 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 6.881 -8.077 19.205 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 22.027 19.563 6.212 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 21.737 19.873 5.352 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 22.687 18.893 6.022 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 7.657 -16.679 -17.235 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 6.997 -17.349 -17.035 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 7.157 -15.939 -17.575 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 9.464 -1.991 -14.811 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 8.734 -1.661 -14.281 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 10.244 -1.741 -14.311 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -13.853 -24.055 15.679 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -13.923 -23.105 15.679 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -14.683 -24.355 16.059 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 12.977 8.025 -19.911 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 13.587 8.725 -19.711 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 12.387 8.405 -20.561 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 20.329 2.741 18.265 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 20.239 2.501 17.345 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 21.229 3.061 18.345 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 21.887 -15.024 -12.488 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 21.817 -15.974 -12.648 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 22.487 -14.954 -11.748 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 10.271 0.183 -17.001 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 10.341 -0.287 -16.171 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 11.121 0.063 -17.421 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 0.763 -3.259 -21.795 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 0.773 -3.099 -22.735 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 -0.167 -3.229 -21.555 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 16.346 20.593 19.632 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 16.046 20.513 18.722 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 16.666 21.493 19.712 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 5.949 7.772 22.740 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 5.269 7.802 22.060 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 6.019 6.852 22.970 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 12.105 -19.222 9.692 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 12.685 -19.842 9.252 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 12.025 -19.572 10.582 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 -22.042 -23.324 3.611 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 -22.712 -23.274 2.931 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 -21.762 -22.424 3.741 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 7.778 -11.904 -11.650 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 8.668 -11.994 -11.980 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 7.308 -11.444 -12.340 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 3.900 18.114 8.679 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 3.730 17.384 9.289 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 3.490 18.874 9.099 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 24.066 3.139 0.182 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 23.486 3.899 0.202 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 23.496 2.389 0.352 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 7.368 9.935 10.671 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 7.748 9.795 9.811 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 7.908 9.385 11.261 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 2.215 -14.378 22.142 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 2.855 -14.958 21.732 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 2.035 -13.708 21.472 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 3.918 23.726 -20.148 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 3.758 24.376 -20.828 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 3.978 22.896 -20.618 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 20.610 16.109 16.142 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 20.810 16.869 16.682 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 20.100 15.539 16.712 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 -2.465 10.490 1.939 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 -2.755 10.350 1.039 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 -1.515 10.570 1.869 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 4.159 -1.656 16.697 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 5.039 -1.406 16.417 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 3.569 -1.046 16.247 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -18.512 -15.139 4.027 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -18.902 -14.489 4.597 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -17.682 -14.739 3.737 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 18.089 6.663 -11.284 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 17.169 6.393 -11.374 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 18.479 5.983 -10.724 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 0.165 24.422 -8.661 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 -0.235 23.672 -9.091 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 0.725 24.822 -9.321 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 10.825 -11.836 -12.494 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 11.295 -12.626 -12.234 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 11.045 -11.716 -13.424 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -0.281 1.647 10.459 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -0.891 2.057 11.079 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -0.831 1.367 9.729 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 20.226 -18.761 16.575 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 19.746 -19.331 15.985 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 21.146 -19.021 16.465 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 24.706 10.260 0.781 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 24.836 9.990 -0.129 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 25.136 9.580 1.301 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -22.731 19.260 9.634 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -22.681 20.160 9.314 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -22.191 18.760 9.014 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 -6.849 23.222 20.469 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 -7.109 22.432 20.949 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 -6.589 23.832 21.159 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 -17.103 6.711 -0.979 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 -18.033 6.501 -0.959 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 -16.703 6.011 -1.499 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 -6.411 -3.409 -11.134 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 -6.021 -4.249 -11.374 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 -6.331 -3.369 -10.184 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 -14.846 -4.701 11.861 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 -15.646 -4.521 11.381 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 -14.246 -5.051 11.211 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 20.934 18.609 10.109 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 21.294 17.899 9.579 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 21.564 18.719 10.829 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 23.020 13.850 15.948 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 23.960 13.970 16.078 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 22.720 14.710 15.658 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -6.555 -3.696 1.900 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -7.375 -3.426 2.330 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -6.045 -4.106 2.600 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 -0.862 -13.088 -19.691 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 -1.192 -12.848 -20.551 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 -1.612 -12.948 -19.111 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 19.919 6.336 11.272 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 20.859 6.226 11.112 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 19.529 6.286 10.402 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 25.159 21.511 17.813 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 24.539 22.091 17.373 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 25.509 20.961 17.113 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 13.418 19.906 0.821 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 13.268 19.606 -0.079 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 13.038 19.216 1.361 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -24.161 1.385 14.743 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -24.471 0.655 14.193 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -23.211 1.405 14.593 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 -16.825 8.793 23.056 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 -15.885 8.623 23.086 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 -16.945 9.383 22.316 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 6.307 -5.952 21.481 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 5.707 -6.552 21.931 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 6.957 -5.722 22.141 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 12.416 15.489 7.914 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 13.316 15.799 7.894 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 12.456 14.609 7.534 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -12.535 9.431 -9.157 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -11.745 9.471 -9.677 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -12.235 9.211 -8.277 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 13.689 -1.584 14.921 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 14.089 -2.354 14.501 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 12.969 -1.954 15.431 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 -22.812 19.671 13.001 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 -23.662 19.331 12.741 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 -22.342 18.911 13.361 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 14.798 14.939 -23.208 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 15.148 14.469 -23.958 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 15.568 15.229 -22.718 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -18.506 17.733 10.654 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -18.406 16.863 11.054 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -18.316 18.343 11.374 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 -13.324 -1.979 -22.138 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 -13.694 -1.239 -21.658 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 -13.784 -1.989 -22.968 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 10.241 10.022 11.468 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 10.641 9.152 11.418 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 10.521 10.362 12.318 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 4.464 18.405 -22.265 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 3.684 18.935 -22.065 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 4.554 18.475 -23.215 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 -17.380 3.529 14.999 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 -18.070 3.059 14.529 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 -17.830 3.889 15.759 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 -2.161 -5.701 -10.403 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 -3.081 -5.921 -10.543 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 -1.771 -5.761 -11.273 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 -24.267 24.611 8.702 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 -24.387 23.721 8.372 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 -23.677 24.511 9.452 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 -20.806 8.288 -0.798 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 -20.446 7.578 -1.328 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 -20.066 8.578 -0.258 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 9.886 -18.670 1.065 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 9.806 -17.720 1.115 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 9.956 -18.860 0.125 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 -12.333 2.226 22.586 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 -13.083 1.656 22.416 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 -12.713 3.106 22.686 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -13.311 -12.007 2.616 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -12.941 -12.717 3.146 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -13.641 -12.437 1.826 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 17.030 11.135 -18.631 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 16.770 11.225 -17.711 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 16.770 11.965 -19.031 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 2.799 -10.798 16.184 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 2.629 -10.658 15.244 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 3.059 -11.718 16.234 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -1.955 2.076 18.689 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -1.925 1.196 18.299 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -1.865 1.926 19.629 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 11.556 23.659 -13.162 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 11.556 23.239 -12.302 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 12.406 24.099 -13.202 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -9.896 24.105 -10.689 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -10.186 23.465 -11.339 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -9.836 24.935 -11.169 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 6.395 -0.231 -7.419 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 5.685 -0.771 -7.769 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 7.165 -0.781 -7.469 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 2.414 0.594 -3.965 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 3.364 0.474 -3.925 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 2.114 -0.066 -4.585 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 -3.224 11.332 -16.173 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 -3.684 11.972 -15.633 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 -3.634 10.492 -15.963 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -25.265 22.219 -17.102 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -25.005 23.099 -17.352 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -24.455 21.709 -17.152 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 12.975 -11.410 -14.439 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 13.265 -12.190 -13.959 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 12.265 -11.720 -14.999 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 -21.221 -8.757 19.655 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 -21.881 -8.967 20.315 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 -20.991 -7.837 19.825 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -9.767 -16.469 -19.158 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -9.587 -15.539 -19.018 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -8.957 -16.919 -18.918 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 10.991 -18.364 7.481 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 10.271 -18.984 7.511 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 11.551 -18.604 8.211 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.015 -20.018 13.831 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 6.545 -19.188 13.801 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 6.775 -20.398 14.671 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 -0.739 -11.741 17.143 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 -0.319 -12.601 17.143 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 -1.359 -11.781 17.873 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 -24.013 -2.644 -17.031 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 -23.733 -3.314 -16.401 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 -23.433 -1.904 -16.881 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 23.886 -14.874 17.059 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 24.756 -15.144 16.749 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 23.876 -15.134 17.979 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 2.980 -15.908 -18.179 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 2.180 -15.698 -17.689 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 2.930 -15.348 -18.959 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 2.319 15.654 3.137 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 1.509 15.344 2.717 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 2.979 15.014 2.867 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 -11.142 5.048 -8.929 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 -10.492 4.718 -8.329 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 -11.382 4.298 -9.479 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 -11.065 -24.093 -18.138 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 -11.875 -24.443 -18.508 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 -10.365 -24.443 -18.698 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 13.787 6.739 7.515 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 13.297 6.249 6.855 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 13.897 6.119 8.235 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 11.314 16.921 -3.162 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 10.974 17.531 -2.502 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 11.424 17.451 -3.952 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -21.093 -2.765 -11.886 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -21.313 -3.685 -11.986 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -21.033 -2.625 -10.936 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -19.445 -10.891 -18.165 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -18.755 -11.521 -17.995 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -19.895 -11.231 -18.935 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -22.764 -1.275 23.452 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -22.664 -1.345 24.392 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -23.084 -0.385 23.312 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 19.180 9.005 -15.771 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 19.540 9.735 -16.271 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 18.820 9.415 -14.971 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -18.241 -22.616 -21.176 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -18.281 -23.436 -20.686 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -19.041 -22.606 -21.706 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -5.530 15.272 -0.167 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.780 15.182 0.753 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -6.370 15.352 -0.637 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 -8.683 -21.259 -11.948 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 -9.253 -20.529 -11.728 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 -7.953 -20.859 -12.428 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -6.605 -23.492 24.266 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -5.915 -23.952 24.746 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -6.515 -23.792 23.366 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -13.866 -12.333 13.852 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -13.776 -13.243 14.142 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -13.236 -12.233 13.142 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 8.924 -4.856 15.855 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 8.404 -5.536 16.285 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 9.164 -4.246 16.555 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 3.966 -13.390 10.826 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 4.486 -14.110 11.186 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 3.056 -13.660 10.986 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 4.799 -10.137 -17.841 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.739 -10.267 -17.961 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 4.679 -9.187 -17.911 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 15.241 18.531 13.972 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 16.061 18.131 14.272 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 15.461 18.911 13.112 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -22.301 -6.495 3.008 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -22.731 -5.685 2.728 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -21.541 -6.565 2.428 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 -3.011 14.339 -23.305 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 -3.731 13.879 -23.735 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 -2.901 15.139 -23.825 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 22.198 -16.698 -21.965 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 21.568 -17.068 -22.575 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 22.278 -17.358 -21.275 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 15.839 -0.818 22.965 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 15.469 -0.828 22.085 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 15.989 0.112 23.155 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -3.625 13.327 13.959 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -3.285 13.987 14.569 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -2.995 13.327 13.239 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 13.680 15.987 -0.321 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 14.590 15.697 -0.301 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 13.730 16.927 -0.531 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -2.367 16.241 24.416 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -1.507 15.951 24.126 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -2.187 16.941 25.046 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 -20.644 20.802 -11.367 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 -21.414 20.572 -11.897 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 -20.704 21.752 -11.277 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 14.344 -16.027 23.205 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 14.734 -16.857 23.505 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 13.794 -16.277 22.465 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 6.896 7.504 16.019 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 7.736 7.934 16.199 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 6.466 7.454 16.869 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 -13.170 16.459 -12.668 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 -13.220 17.169 -12.028 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -12.250 16.199 -12.668 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 -21.275 14.714 17.779 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 -20.675 15.044 17.109 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 -21.285 13.764 17.649 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 14.014 18.472 -1.663 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 14.314 17.792 -2.263 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 13.064 18.392 -1.653 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 18.271 21.152 -14.138 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 19.201 21.052 -14.308 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 18.071 20.522 -13.448 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 -15.950 -15.504 -0.798 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 -15.240 -15.864 -0.268 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 -15.830 -14.554 -0.748 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 14.781 23.790 -18.454 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 15.071 23.430 -19.294 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 13.941 24.220 -18.654 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 10.445 -19.739 23.440 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 10.455 -19.419 22.540 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 11.055 -20.479 23.440 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -12.746 -21.628 -14.305 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -12.576 -22.438 -13.815 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -13.646 -21.718 -14.605 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 9.117 -12.608 -8.925 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 8.887 -12.268 -9.785 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 8.277 -12.808 -8.515 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -15.527 19.423 -20.030 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -15.887 18.533 -19.950 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -15.127 19.433 -20.900 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 0.897 10.771 6.276 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 1.317 10.921 5.426 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 -0.043 10.811 6.086 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 1.704 13.657 13.409 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 1.084 14.207 12.949 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 1.874 14.117 14.229 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 -11.676 -12.643 -10.734 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 -11.626 -12.433 -9.794 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 -10.856 -13.103 -10.924 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -4.887 10.472 16.529 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -5.017 9.712 17.089 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -4.797 10.112 15.649 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 12.206 -17.378 -25.155 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 13.016 -17.048 -24.765 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 11.846 -16.618 -25.615 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 -1.730 -2.085 -15.711 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 -2.500 -2.155 -16.271 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 -1.750 -1.195 -15.381 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -1.485 3.404 -22.954 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -1.815 4.124 -23.484 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -0.615 3.234 -23.314 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -9.909 -20.869 19.624 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -10.399 -21.579 19.224 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -9.119 -21.279 19.974 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -21.162 -12.425 7.256 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -21.602 -12.475 8.106 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -21.442 -11.595 6.886 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -13.609 -14.758 9.199 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -13.939 -13.888 9.429 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -14.269 -15.358 9.529 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 7.391 8.529 -14.493 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 8.221 8.469 -14.953 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 7.381 7.789 -13.893 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 -4.084 13.520 5.688 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 -4.064 12.850 5.008 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 -4.884 13.330 6.188 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 -13.125 20.900 -1.028 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 -13.255 21.180 -1.928 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 -12.355 20.320 -1.068 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 -3.824 -0.987 -17.156 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 -3.524 -1.177 -18.046 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 -4.634 -0.497 -17.276 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 18.456 -11.428 -18.175 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 17.696 -11.388 -17.585 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 18.176 -10.948 -18.955 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 22.849 18.803 23.730 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 23.019 17.963 24.170 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 23.599 18.933 23.160 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 20.685 -19.697 2.452 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 19.835 -19.967 2.792 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 21.295 -19.847 3.172 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -1.803 12.802 -10.434 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -0.953 12.362 -10.444 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -2.113 12.742 -11.334 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 -20.405 0.596 -18.258 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 -20.365 -0.324 -17.988 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 -19.505 0.806 -18.508 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 3.699 -11.235 24.299 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 3.629 -10.455 23.749 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 2.849 -11.315 24.729 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 10.366 6.729 -21.058 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 10.826 7.239 -21.718 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 9.896 7.389 -20.538 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 4.278 -23.341 21.276 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 5.048 -23.881 21.446 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 3.948 -23.121 22.146 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -12.023 0.932 -1.435 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -11.413 1.672 -1.495 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -11.893 0.452 -2.245 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 9.373 21.392 13.706 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 9.303 20.982 14.566 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 10.113 20.962 13.296 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 13.745 19.424 -24.915 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 13.325 20.274 -24.795 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 13.035 18.794 -24.795 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 9.757 -19.315 -8.705 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 9.837 -19.455 -7.755 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 10.237 -20.035 -9.095 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 -7.823 -0.412 6.796 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 -7.833 -0.512 5.836 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 -7.063 0.138 6.966 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 21.796 13.275 -15.131 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 22.716 13.005 -15.161 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 21.476 12.955 -14.281 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.951 3.712 -22.368 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -14.561 4.152 -23.128 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -15.061 2.802 -22.658 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -3.810 -15.509 3.422 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -3.510 -14.849 2.802 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -4.570 -15.909 2.992 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 5.746 -5.737 -15.888 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 5.786 -6.687 -15.958 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 4.896 -5.507 -16.248 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 23.769 -24.464 23.129 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 24.549 -24.924 22.849 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 23.149 -25.164 23.359 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 -6.312 -4.999 -16.822 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 -6.362 -5.959 -16.832 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 -5.452 -4.809 -16.442 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -13.105 22.744 11.977 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -12.975 23.434 11.327 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -13.685 23.124 12.627 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 11.885 -0.207 9.628 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 12.255 0.653 9.418 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 12.195 -0.377 10.518 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 8.735 -16.845 -20.768 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 7.965 -16.285 -20.838 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 8.785 -17.085 -19.838 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 23.736 10.708 -19.131 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 24.316 11.458 -19.211 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 22.986 11.038 -18.641 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 7.314 6.066 -7.234 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 6.404 5.766 -7.284 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 7.294 6.936 -7.644 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 -18.196 2.272 -0.219 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 -18.966 2.352 0.331 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 -17.466 2.542 0.331 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 8.639 21.734 -12.461 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 9.289 22.314 -12.061 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 8.589 22.014 -13.371 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 6.289 7.435 -17.481 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 6.449 7.125 -16.591 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 5.369 7.685 -17.481 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -11.536 -19.887 22.439 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -10.996 -20.327 21.779 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -11.216 -20.227 23.269 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 -24.325 -18.298 -17.536 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 -23.755 -18.568 -16.806 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 -25.205 -18.288 -17.156 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 -4.835 14.410 -6.111 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 -5.515 15.090 -6.071 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 -4.865 14.100 -7.011 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 -10.062 -1.890 -0.272 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 -9.112 -1.740 -0.372 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 -10.382 -2.020 -1.162 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 24.134 16.523 -23.657 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 23.614 16.273 -22.887 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 23.514 16.513 -24.377 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -13.946 5.235 20.940 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -14.096 5.115 21.880 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -14.676 4.795 20.520 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 13.196 7.480 19.271 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 13.036 8.210 19.871 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 14.046 7.680 18.871 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 -8.201 -10.610 -19.944 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 -8.021 -9.670 -19.884 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 -7.541 -11.020 -19.384 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -7.813 10.172 4.111 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -8.153 10.072 3.221 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -8.233 10.962 4.451 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 0.126 -5.784 -18.702 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 0.016 -5.784 -19.652 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 1.006 -5.444 -18.562 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 12.008 5.792 5.591 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.948 4.932 5.161 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.288 5.792 6.221 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 0.178 11.689 -7.498 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 0.438 12.499 -7.918 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -0.702 11.519 -7.818 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -11.115 -10.308 21.451 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.815 -10.088 20.841 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -10.345 -9.858 21.101 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -1.961 18.619 -6.278 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -2.201 18.169 -5.468 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -1.511 19.419 -5.988 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -11.065 -7.683 1.366 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -11.565 -7.343 2.106 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -10.985 -8.623 1.536 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 12.641 13.018 -14.326 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 12.081 12.238 -14.326 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 12.041 13.728 -14.086 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 11.276 18.539 8.207 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 11.896 18.659 8.937 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 11.306 17.599 8.027 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 -1.253 4.135 9.157 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 -1.363 4.805 9.837 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 -0.483 3.635 9.437 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -14.148 6.512 12.889 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -14.079 5.592 12.659 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -15.069 6.622 13.149 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 -20.937 -21.028 -19.365 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 -21.307 -21.878 -19.595 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 -19.997 -21.158 -19.385 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 13.574 -18.015 16.017 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 12.864 -18.465 16.467 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 13.124 -17.435 15.397 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 -5.709 -24.699 -6.303 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 -5.069 -25.379 -6.543 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 -5.698 -24.089 -7.033 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 18.877 14.638 -4.671 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 18.677 14.978 -3.801 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 19.037 13.698 -4.521 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -15.163 -9.694 22.385 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -14.333 -9.204 22.405 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -15.833 -9.034 22.495 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 0.470 -22.766 -11.266 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 0.700 -23.646 -10.976 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 -0.240 -22.906 -11.896 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 2.613 15.868 -22.898 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 3.293 16.038 -22.248 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 2.693 14.928 -23.098 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 -19.567 -5.405 21.963 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 -20.277 -5.585 22.583 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 -19.367 -4.475 22.073 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -10.081 8.345 -24.725 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -10.121 8.345 -25.685 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -9.771 9.215 -24.495 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 -3.177 14.180 0.384 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 -3.517 14.060 1.274 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 -3.937 14.470 -0.126 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 15.057 4.498 22.909 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 14.127 4.568 23.109 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 15.177 5.058 22.149 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.206 -20.364 9.792 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 9.686 -21.184 9.892 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.516 -19.814 10.512 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 22.377 -12.907 18.449 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 23.037 -13.457 18.039 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 21.927 -12.477 17.719 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 9.326 -11.875 -21.421 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 9.276 -11.975 -22.371 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 8.726 -11.145 -21.231 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 -1.510 10.864 -21.068 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 -1.640 10.734 -20.138 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 -2.030 11.644 -21.278 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 13.561 -23.987 7.806 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 13.591 -23.027 7.906 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 13.641 -24.127 6.866 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 21.004 24.121 -4.591 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 20.164 24.301 -4.181 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 21.404 23.451 -4.031 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 -19.226 -24.290 3.729 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -20.156 -24.520 3.749 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 -18.876 -24.800 2.999 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 -6.942 -9.303 22.361 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 -7.612 -9.453 23.031 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 -7.442 -9.103 21.571 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 22.486 -4.148 5.485 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 23.206 -4.358 6.075 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 21.766 -3.888 6.065 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -12.133 -12.800 -18.991 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -12.643 -12.950 -18.201 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -11.463 -12.170 -18.731 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 4.438 -11.018 -22.745 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 3.638 -11.478 -22.485 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 4.258 -10.098 -22.525 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 -8.762 23.393 -3.905 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 -8.102 23.113 -4.535 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 -9.502 23.683 -4.445 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 16.569 14.162 0.731 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 16.879 14.242 -0.169 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 17.019 14.862 1.201 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.001 -23.647 -7.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 0.879 -23.297 -7.405 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 -0.031 -24.427 -7.825 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 1.616 -0.223 9.392 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 1.856 0.517 8.832 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 1.246 0.187 10.172 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 -4.806 22.560 2.282 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 -4.326 23.390 2.222 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 -4.176 21.900 1.992 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 -21.796 0.420 0.731 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 -22.256 0.310 -0.099 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 -21.346 1.270 0.651 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 -5.733 -0.487 24.860 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 -6.593 -0.517 24.430 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 -5.543 -1.387 25.100 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 20.831 -2.731 3.326 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 20.601 -3.051 4.206 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 20.292 -3.261 2.736 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -3.316 -18.423 7.330 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -3.456 -18.573 6.400 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -4.196 -18.403 7.700 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 -18.756 -0.861 -0.617 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 -19.426 -0.951 -1.297 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 -18.626 0.089 -0.537 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 20.113 9.845 -7.158 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 20.723 9.605 -6.458 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 20.663 9.935 -7.938 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 9.647 4.471 11.037 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 9.627 4.801 11.937 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 8.997 3.781 11.017 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 -22.355 20.882 4.240 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 -21.615 20.272 4.180 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 -22.055 21.662 3.760 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 -1.941 5.765 -20.220 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 -1.101 5.815 -20.680 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 -1.761 5.185 -19.480 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 17.523 -4.747 -5.538 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 18.343 -4.907 -5.078 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 17.213 -3.907 -5.218 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 18.046 -1.661 24.922 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 18.966 -1.421 24.822 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 17.616 -1.261 24.162 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 -24.271 15.935 9.881 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 -24.961 16.255 9.311 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 -24.721 15.395 10.541 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -21.743 -6.169 -5.053 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -22.053 -5.399 -5.523 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -22.103 -6.089 -4.173 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 7.381 17.648 -20.258 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 8.151 18.048 -20.668 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 7.681 16.778 -19.998 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 -6.242 -17.538 -9.730 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 -6.842 -17.158 -10.360 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 -6.132 -18.448 -10.020 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 20.443 -5.550 -7.450 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 21.323 -5.430 -7.810 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 20.593 -5.830 -6.540 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -21.137 16.367 20.742 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -20.817 15.507 20.482 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -20.707 16.537 21.582 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 -24.069 -24.347 21.741 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 -24.149 -25.057 21.101 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 -24.119 -23.547 21.221 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 -25.006 2.432 2.591 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 -25.916 2.162 2.441 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 -24.686 2.692 1.721 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 -22.148 -5.691 -12.480 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 -21.999 -6.481 -11.970 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 -22.549 -6.001 -13.290 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 20.075 5.140 -25.241 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 20.615 4.360 -25.161 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 20.635 5.850 -24.921 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 -6.725 11.813 24.717 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 -6.075 12.273 25.257 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 -6.455 10.903 24.737 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 -18.950 4.057 -23.958 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 -19.690 3.757 -23.438 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 -18.980 3.537 -24.758 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 24.381 16.236 -18.495 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 25.041 15.996 -19.145 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 23.891 15.426 -18.345 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -5.225 -2.684 -8.438 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -4.495 -2.064 -8.398 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -5.835 -2.374 -7.768 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 -22.839 -16.797 -19.495 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 -23.259 -17.527 -19.055 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 -22.399 -17.187 -20.245 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 14.184 -19.685 -17.845 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 13.534 -20.035 -17.235 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 14.044 -18.735 -17.835 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 -9.072 7.511 13.729 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 -8.852 7.101 12.889 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 -9.992 7.321 13.859 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 13.500 4.402 16.307 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 13.070 4.892 15.607 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 12.780 4.142 16.897 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 16.701 9.547 -25.041 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 15.991 9.897 -25.591 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 17.201 10.327 -24.781 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 5.035 19.128 -24.881 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 4.965 18.638 -25.701 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 4.795 20.028 -25.111 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 -14.262 1.686 -19.996 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 -13.372 1.346 -20.116 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 -14.802 1.116 -20.546 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 19.539 3.300 7.344 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 20.349 3.500 7.814 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 19.809 3.170 6.444 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -2.924 -16.145 -20.019 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -2.094 -16.575 -20.239 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -2.764 -15.725 -19.179 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 9.864 -5.272 24.971 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 10.284 -5.532 24.151 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 10.444 -4.592 25.321 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -22.805 17.039 -13.414 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -22.595 16.309 -14.004 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -22.755 16.649 -12.534 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 -23.593 -0.803 -20.858 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -23.743 -1.403 -21.588 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -24.093 -1.173 -20.128 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 -2.159 -1.098 0.767 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 -2.849 -1.108 0.107 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 -1.989 -0.168 0.927 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 11.010 22.995 -1.894 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 11.810 23.525 -1.804 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 10.920 22.865 -2.834 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 18.615 19.250 12.159 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 19.165 19.260 12.929 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 19.225 19.230 11.419 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 23.813 9.477 -14.965 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 24.553 10.067 -15.105 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 23.383 9.807 -14.185 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 -14.677 -20.696 23.656 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 -13.967 -20.056 23.756 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 -15.427 -20.276 24.086 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 3.597 -7.963 -24.064 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 4.107 -8.493 -24.674 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 4.237 -7.693 -23.394 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 15.743 -5.581 16.590 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 15.503 -4.671 16.730 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 15.523 -5.751 15.680 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -3.733 8.414 11.582 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -3.013 8.884 11.172 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -3.723 7.554 11.152 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -19.980 -0.801 24.676 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -20.860 -1.001 24.366 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -19.460 -1.571 24.446 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -18.253 1.640 -21.645 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -18.003 2.470 -21.255 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -19.163 1.510 -21.385 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 -10.717 15.401 -8.204 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 -10.297 14.621 -8.554 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 -10.307 15.521 -7.344 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 9.680 -1.357 14.876 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 10.320 -1.737 15.476 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 9.350 -2.107 14.376 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -13.724 -16.276 16.392 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -14.324 -16.256 17.142 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -12.894 -15.956 16.752 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -3.996 -3.883 -20.269 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -3.636 -3.203 -19.699 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -4.046 -4.653 -19.719 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 5.425 -23.440 -16.465 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 4.535 -23.110 -16.375 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 5.415 -24.280 -16.005 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 -22.850 -0.269 -16.658 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 -22.290 0.491 -16.818 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 -23.580 0.071 -16.148 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 5.816 -3.854 -24.953 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 5.286 -3.084 -25.163 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 6.566 -3.514 -24.463 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 -14.587 12.620 -1.015 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 -15.407 13.050 -0.785 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 -14.797 11.680 -1.005 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 24.746 -24.237 -22.897 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 25.006 -23.327 -22.777 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 23.976 -24.347 -22.337 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -21.251 18.661 -18.013 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -22.111 18.981 -18.303 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -20.671 19.421 -18.103 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 22.753 1.581 -23.841 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 23.283 0.811 -24.041 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 23.393 2.281 -23.691 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 5.248 21.308 13.805 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 4.408 21.778 13.805 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 5.008 20.408 13.575 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 18.220 -11.138 -14.633 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 18.530 -11.398 -13.763 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 18.660 -10.308 -14.803 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 6.613 -1.909 -1.484 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 7.003 -1.219 -0.944 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 5.753 -2.059 -1.094 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 12.484 -23.528 13.933 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 12.364 -24.178 14.623 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 12.774 -24.028 13.173 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 10.884 24.678 15.453 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 10.034 25.038 15.213 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 11.094 24.068 14.743 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 0.218 -0.142 -10.799 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -0.132 -0.382 -11.649 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -0.542 -0.132 -10.219 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 -1.527 24.100 12.047 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 -1.077 24.320 11.237 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 -1.007 23.390 12.427 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 24.398 -1.728 19.215 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 24.968 -2.468 19.425 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 24.788 -1.358 18.425 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 5.538 12.241 -14.904 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 4.748 12.481 -14.414 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 6.228 12.201 -14.244 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -6.889 20.442 -4.183 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -6.409 20.382 -5.003 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -7.549 21.122 -4.343 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 10.066 16.415 20.036 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 11.026 16.395 19.986 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 9.776 16.175 19.156 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 -18.810 24.316 1.785 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 -18.920 24.576 0.875 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 -17.980 23.836 1.795 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 24.621 8.626 -6.838 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 24.601 7.966 -7.528 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 23.941 9.256 -7.078 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 -15.349 1.698 -17.299 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 -15.379 0.948 -16.719 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 -15.289 1.318 -18.179 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 20.131 21.962 -11.202 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 20.401 21.412 -11.942 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 20.601 21.602 -10.452 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 22.630 8.265 -23.248 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 21.730 7.965 -23.398 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 23.140 7.465 -23.158 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -10.625 17.047 0.320 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -10.505 16.177 0.700 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -10.735 17.627 1.070 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 14.234 16.042 -3.989 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 13.334 15.882 -3.729 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 14.334 15.582 -4.819 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 16.166 -21.837 23.572 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 17.076 -21.587 23.402 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 15.796 -21.117 24.082 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 20.011 2.406 0.597 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 20.451 2.046 -0.163 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 20.141 1.756 1.287 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 12.560 8.404 -6.259 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 13.210 8.154 -5.599 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 11.730 8.104 -5.889 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 0.388 -19.069 -4.411 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 0.918 -18.269 -4.401 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 0.838 -19.649 -5.021 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -1.141 16.124 -4.716 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -0.981 15.644 -3.906 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -1.061 17.044 -4.476 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 13.895 19.315 -13.288 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 14.045 19.085 -14.208 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 14.065 20.255 -13.248 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -12.816 -12.096 -21.432 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -13.016 -12.496 -20.582 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -12.506 -11.216 -21.222 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 -22.016 -15.341 13.202 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 -22.126 -14.891 14.042 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 -21.146 -15.741 13.252 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 6.089 -22.383 -0.036 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 5.799 -22.983 -0.716 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 6.119 -21.523 -0.466 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -16.919 14.588 -10.726 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -16.079 14.278 -11.056 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -16.989 15.488 -11.036 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -20.625 12.392 -9.408 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -21.415 12.452 -8.878 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -20.815 12.922 -10.188 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 7.195 23.093 13.229 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 7.955 22.563 13.459 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 6.445 22.563 13.519 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 0.005 15.483 11.846 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 0.625 15.673 11.146 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 -0.575 16.243 11.866 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 16.006 11.855 -21.478 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 16.766 12.395 -21.708 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 15.526 11.745 -22.298 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 16.230 16.514 -14.338 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 16.760 16.114 -15.028 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 16.110 15.824 -13.688 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 4.301 -2.311 21.282 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 4.341 -1.411 20.952 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 5.221 -2.571 21.372 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 -10.027 -8.101 20.116 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 -9.177 -7.711 20.296 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 -10.607 -7.361 19.956 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 21.475 18.142 17.819 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 21.985 17.712 18.509 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 20.785 18.602 18.299 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 15.694 -7.929 -3.065 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 16.504 -7.739 -3.535 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 15.924 -8.669 -2.495 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 -3.783 -9.892 10.162 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 -3.863 -10.812 9.912 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 -3.223 -9.902 10.942 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 -23.236 12.609 -21.761 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 -22.546 12.849 -22.391 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 -23.346 11.669 -21.881 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 21.165 -10.431 1.422 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 21.915 -10.981 1.182 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 21.245 -9.671 0.852 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 17.654 19.523 -7.373 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 17.844 18.703 -7.823 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 16.854 19.853 -7.793 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 14.980 10.031 -16.492 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 15.030 10.971 -16.332 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 14.060 9.871 -16.702 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 7.551 -12.579 -17.951 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 7.181 -12.179 -18.741 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 7.221 -13.479 -17.961 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 -2.842 -13.858 10.032 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 -3.322 -13.498 9.292 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 -2.032 -13.358 10.062 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 18.497 20.398 -5.141 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 18.107 19.998 -5.921 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 19.017 21.128 -5.491 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 14.778 -20.565 -14.469 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 15.508 -21.185 -14.429 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 15.188 -19.705 -14.439 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 -20.521 3.376 11.965 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 -19.971 4.156 11.975 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 -20.131 2.796 12.625 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -7.861 -5.450 -22.676 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -7.361 -4.670 -22.426 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -7.701 -6.080 -21.966 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 15.179 10.765 -3.941 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 14.479 10.815 -3.281 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 15.869 11.325 -3.601 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -0.059 20.722 21.959 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -0.059 21.632 22.239 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -0.459 20.232 22.679 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -20.709 3.893 -16.518 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -21.189 3.303 -17.108 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -21.219 3.903 -15.718 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 -13.627 21.353 -3.987 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 -13.847 22.283 -3.967 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 -13.267 21.213 -4.867 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -13.055 13.365 -19.848 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -12.335 13.525 -20.448 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -13.615 12.725 -20.298 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 -7.692 19.106 20.266 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 -7.262 18.636 19.546 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 -8.032 18.416 20.836 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 16.684 -11.034 6.925 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 16.744 -11.714 6.255 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 17.434 -11.204 7.505 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 -18.112 -13.040 -19.770 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 -17.572 -13.470 -19.110 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 -17.692 -13.260 -20.610 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 17.779 -23.751 -2.679 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 16.919 -23.451 -2.379 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 17.699 -24.701 -2.749 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 4.316 -24.316 -12.061 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 4.356 -24.276 -13.011 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 4.066 -23.426 -11.801 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -12.715 20.584 -12.871 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -13.025 19.864 -13.421 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -13.275 21.324 -13.101 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 14.245 17.545 17.542 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 14.715 18.325 17.242 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 13.395 17.595 17.102 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 16.528 -19.024 9.156 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 16.908 -19.424 9.936 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 16.158 -18.204 9.476 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 -1.582 16.480 -19.915 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 -1.082 16.270 -19.125 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 -2.422 16.790 -19.595 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 14.927 6.073 4.238 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 15.117 5.303 4.768 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 13.977 6.063 4.128 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 5.835 23.826 -6.042 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 5.345 24.186 -6.782 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 6.425 24.536 -5.772 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 10.870 -23.822 -13.031 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 11.470 -23.092 -13.201 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 11.410 -24.462 -12.571 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -15.904 -24.282 11.791 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -16.624 -23.682 11.571 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -15.924 -24.942 11.091 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 -25.239 -0.794 -18.805 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -24.539 -0.274 -18.405 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 -25.259 -1.604 -18.295 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -23.265 2.218 -0.648 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -23.365 2.428 0.272 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -23.565 2.998 -1.108 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 22.492 -10.938 12.031 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 22.111 -10.108 12.311 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 21.882 -11.598 12.341 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 10.849 0.455 18.950 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 10.289 1.245 18.900 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 11.679 0.725 18.570 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 -17.756 11.830 -11.666 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 -18.246 12.410 -11.086 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 -16.876 12.210 -11.696 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 -11.967 16.372 -2.502 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 -11.727 15.482 -2.242 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 -12.587 16.662 -1.842 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -16.209 -1.966 9.116 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -15.809 -1.916 8.246 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -15.679 -2.626 9.576 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 22.751 -0.179 17.489 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 23.361 -0.919 17.469 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 23.311 0.591 17.439 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -22.524 -8.265 23.499 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -21.994 -8.255 24.289 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -22.034 -8.825 22.889 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 -20.001 23.613 8.419 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 -19.101 23.333 8.549 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 -20.221 23.353 7.529 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 20.776 -10.228 -17.283 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 19.926 -10.538 -17.613 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 21.216 -9.888 -18.053 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 24.768 -7.507 13.819 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 24.828 -6.647 13.399 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 24.918 -7.327 14.749 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 12.197 -2.309 -4.753 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 11.837 -3.189 -4.613 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 11.717 -1.969 -5.513 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 11.844 7.133 11.772 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 11.234 6.623 11.232 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 11.554 6.953 12.672 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -11.873 8.312 21.816 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -12.303 8.972 21.276 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -11.023 8.692 22.036 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 7.973 -15.027 7.902 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 7.333 -15.137 7.202 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 8.743 -14.677 7.472 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -4.192 10.497 -5.643 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -3.882 10.677 -4.753 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 -3.392 10.367 -6.143 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 -12.583 -1.082 -15.634 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 -11.933 -0.372 -15.574 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 -12.833 -1.262 -14.734 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 22.101 19.122 12.596 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 21.371 19.742 12.596 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 22.201 18.872 13.516 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 -20.769 6.811 -8.994 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 -21.659 6.871 -8.634 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 -20.839 6.181 -9.704 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 13.747 12.192 0.296 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 12.847 12.442 0.466 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 14.217 13.022 0.216 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 24.737 16.230 14.150 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 24.857 15.530 13.520 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 25.087 17.010 13.720 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 -24.770 -8.165 -11.051 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 -25.640 -7.865 -11.301 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 -24.380 -8.495 -11.861 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -18.592 12.682 4.524 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -17.672 12.892 4.674 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -18.852 12.162 5.284 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 -22.796 -4.850 -15.614 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 -21.996 -5.260 -15.954 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 -23.386 -5.590 -15.454 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 -9.239 -17.344 -6.733 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 -9.889 -18.044 -6.833 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 -8.789 -17.554 -5.913 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 16.359 -2.390 -23.431 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 17.179 -2.100 -23.831 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 16.419 -2.090 -22.531 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 -7.684 11.722 0.358 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 -6.924 11.672 -0.222 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 -8.184 12.472 0.038 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 1.783 5.794 -8.895 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 0.923 5.964 -8.515 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 1.663 5.004 -9.405 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 -17.209 -19.609 -3.595 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 -17.049 -18.699 -3.365 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 -18.159 -19.699 -3.555 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 11.956 12.964 7.132 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 11.666 12.684 8.002 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 11.366 12.514 6.522 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 -18.442 -4.185 -12.528 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 -17.802 -3.685 -13.038 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 -18.282 -3.915 -11.628 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -12.206 -3.094 -9.208 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -12.896 -2.514 -8.878 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -12.666 -3.844 -9.558 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 10.132 11.673 5.506 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 9.451 12.283 5.216 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 9.691 10.813 5.506 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 -15.064 2.951 16.467 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 -15.744 3.421 15.987 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 -15.004 3.411 17.297 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 -0.461 -16.762 11.491 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 -0.731 -16.942 10.591 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 -1.261 -16.532 11.941 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 -18.961 -2.287 -9.201 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 -18.841 -2.367 -8.251 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 -18.081 -2.367 -9.561 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 17.846 9.911 10.285 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 18.006 8.971 10.295 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 16.936 10.001 10.005 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -2.010 21.067 12.179 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -2.260 20.407 12.829 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -2.740 21.687 12.169 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 -22.147 6.232 16.747 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 -21.937 6.512 15.857 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 -22.977 5.752 16.657 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 2.195 -21.326 22.648 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 1.335 -20.926 22.528 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 2.135 -21.766 23.488 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -20.750 3.133 0.819 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -20.780 3.793 0.129 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -21.090 3.573 1.589 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 23.999 6.813 1.678 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 24.839 6.643 1.258 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 23.349 6.463 1.078 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 -24.515 -23.740 13.371 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 -24.145 -23.800 12.501 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 -25.405 -24.080 13.281 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 -4.716 -12.036 -8.618 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 -4.916 -11.126 -8.388 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 -4.136 -12.326 -7.908 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 20.191 9.635 17.796 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 20.571 10.425 17.406 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 20.001 9.075 17.046 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 17.995 6.484 -17.530 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 17.575 7.214 -17.090 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 18.915 6.744 -17.600 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 10.788 8.220 4.623 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 10.988 7.970 3.723 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 11.088 7.480 5.143 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -21.479 13.412 4.962 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -21.169 13.212 5.842 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -20.899 12.922 4.382 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -8.143 -24.675 19.447 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -9.073 -24.675 19.637 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -7.953 -25.575 19.167 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 2.439 -24.788 -16.706 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 1.629 -24.298 -16.516 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 2.489 -25.448 -16.026 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.201 -10.790 -0.314 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -3.091 -10.420 0.566 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -2.751 -11.630 -0.274 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 18.050 15.975 1.759 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 18.180 15.495 2.569 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 17.950 16.885 2.029 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 0.236 21.986 18.319 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 0.986 22.176 18.889 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 0.346 21.066 18.079 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 23.531 2.133 12.882 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 23.271 2.753 13.562 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 23.421 1.273 13.282 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 22.990 -12.011 -15.280 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 23.170 -11.451 -16.030 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 22.510 -12.761 -15.640 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 21.079 18.561 1.296 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 21.689 19.271 1.506 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 21.489 17.781 1.656 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 3.524 22.364 7.446 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 4.414 22.094 7.686 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 3.644 22.874 6.646 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 24.245 20.045 -21.353 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 24.095 19.795 -20.443 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 25.185 20.215 -21.413 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 2.420 20.621 10.026 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 1.490 20.811 10.156 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 2.790 21.431 9.666 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 6.950 14.872 -2.866 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 6.480 15.142 -2.086 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 6.280 14.802 -3.546 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 9.294 6.092 -15.743 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 9.904 6.822 -15.813 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 9.644 5.422 -16.333 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 22.234 21.354 -25.328 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 22.814 21.814 -24.718 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 22.704 20.554 -25.548 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 1.526 -3.241 -10.194 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 1.826 -3.471 -11.074 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 1.586 -2.291 -10.154 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 3.117 12.204 -13.298 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 2.437 12.584 -12.728 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 2.687 11.454 -13.718 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 22.007 7.764 3.749 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 22.567 7.144 3.279 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 22.277 8.624 3.419 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 5.463 12.983 -20.228 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 5.153 12.083 -20.308 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 6.403 12.893 -20.078 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 6.577 -14.408 -9.854 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 7.367 -14.918 -9.664 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 6.517 -14.428 -10.814 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 -16.265 7.894 -8.121 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 -15.635 8.484 -7.711 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 -17.115 8.314 -7.991 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 -20.136 7.711 10.219 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 -19.736 6.841 10.209 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -20.126 7.991 9.309 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -8.210 -11.382 -6.431 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -8.480 -12.012 -5.771 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -7.410 -10.992 -6.081 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -17.056 6.423 14.328 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -17.576 6.133 15.078 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -17.006 5.643 13.758 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 -1.554 -21.889 9.572 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 -1.074 -21.249 10.092 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 -1.604 -22.669 10.142 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 2.156 -24.014 7.585 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 2.166 -24.384 6.705 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 1.996 -23.084 7.455 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 -19.277 -18.983 -12.941 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 -20.117 -19.053 -12.481 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 -19.197 -18.043 -13.141 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -12.800 -16.571 -14.058 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -13.290 -16.161 -13.348 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -12.670 -15.871 -14.698 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -22.144 -21.905 -4.057 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -22.984 -21.705 -4.467 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -21.604 -21.135 -4.227 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 20.580 -20.717 22.925 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 20.280 -21.557 22.585 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 21.520 -20.827 23.045 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 23.649 -4.268 13.907 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 23.009 -4.838 13.477 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 23.149 -3.468 14.107 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 -0.454 -18.244 14.290 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 -0.824 -19.084 14.000 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 -0.254 -17.784 13.470 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 20.688 20.719 22.255 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 21.228 20.869 23.035 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 21.018 19.889 21.895 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -10.071 -24.207 -12.276 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -10.121 -24.607 -13.146 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -9.831 -23.297 -12.446 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 19.304 10.280 5.567 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 19.254 9.380 5.887 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 18.404 10.490 5.327 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -22.177 15.298 -4.755 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -21.397 15.628 -4.315 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -21.857 14.598 -5.325 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -22.023 -22.259 7.892 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -21.563 -22.869 7.312 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -22.943 -22.329 7.632 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -22.132 17.981 18.482 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -22.942 18.281 18.912 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -21.622 17.591 19.192 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 15.526 11.040 -11.641 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 16.456 11.030 -11.871 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 15.336 10.130 -11.421 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 -12.843 -5.340 25.249 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 -12.673 -5.770 24.419 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 -11.973 -5.160 25.619 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 1.446 3.105 14.226 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 1.686 3.315 15.136 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 0.616 3.545 14.086 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 -12.515 16.864 8.414 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 -12.805 17.504 9.074 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 -11.585 17.054 8.304 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 5.251 16.092 -11.338 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 4.581 16.212 -10.668 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 6.031 16.512 -10.968 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -11.351 -14.657 -21.214 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -11.581 -13.977 -20.584 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -10.971 -15.357 -20.684 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 8.720 22.470 17.329 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 8.110 21.740 17.229 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 8.230 23.240 17.069 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 7.703 -22.154 -9.141 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 8.413 -21.614 -8.801 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 8.143 -22.884 -9.581 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 -18.244 9.003 0.198 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 -18.064 8.643 1.058 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 -17.794 8.413 -0.412 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -3.275 7.114 -10.811 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -2.985 7.984 -11.061 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -2.535 6.544 -11.011 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 7.791 -21.488 -5.431 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 8.741 -21.368 -5.441 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 7.441 -20.688 -5.821 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 8.620 -13.833 13.419 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 8.340 -14.183 12.579 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 7.920 -13.223 13.669 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 -9.410 -14.783 -10.614 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 -9.750 -15.013 -9.754 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 -8.500 -14.523 -10.454 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 -21.104 -24.975 -0.317 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -21.534 -24.445 -0.987 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 -20.534 -24.365 0.143 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 24.933 12.696 -6.654 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 24.873 13.236 -5.874 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 24.623 13.256 -7.364 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 5.259 -6.029 -11.488 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 6.199 -6.189 -11.558 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 4.879 -6.879 -11.268 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 10.331 7.440 -5.044 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 10.441 6.720 -4.424 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 9.591 7.940 -4.714 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 10.400 -4.584 -19.418 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 9.560 -4.584 -19.878 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 10.170 -4.714 -18.498 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 1.134 -20.160 -1.415 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 1.914 -19.690 -1.125 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 0.414 -19.750 -0.935 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 7.643 19.925 5.399 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 6.703 20.125 5.309 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 7.713 19.505 6.259 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -7.084 13.082 -4.944 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -6.304 12.882 -4.434 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -6.754 13.502 -5.744 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 -21.315 15.835 -8.300 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 -20.425 16.165 -8.230 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 -21.545 15.565 -7.410 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -3.884 4.192 8.435 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -4.524 3.682 8.925 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -3.064 3.702 8.535 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 4.223 -1.527 -24.711 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.553 -1.127 -25.261 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.313 -0.937 -23.961 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 22.596 -10.834 -1.217 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 23.516 -10.584 -1.117 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 22.116 -10.014 -1.117 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 2.886 -5.233 -14.580 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 3.606 -5.363 -13.960 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 3.086 -4.403 -15.010 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.795 -3.468 -21.398 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 11.605 -4.328 -21.778 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.565 -3.568 -20.478 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 14.248 -14.831 -23.156 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 14.728 -15.601 -22.856 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 14.658 -14.601 -23.986 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 21.204 -2.889 14.729 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 20.544 -3.579 14.779 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 21.474 -2.749 15.639 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -13.722 -2.077 -1.593 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -14.062 -1.337 -2.083 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -14.512 -2.527 -1.273 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 14.579 3.391 -0.908 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 15.379 3.231 -0.418 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 14.729 4.231 -1.338 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 4.597 6.652 -11.918 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 3.667 6.842 -11.808 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 4.627 5.712 -12.108 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 15.947 21.612 -1.144 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 16.807 21.332 -0.814 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 15.767 22.432 -0.684 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 18.099 15.795 23.101 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 17.179 15.555 23.151 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 18.099 16.745 22.991 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 2.985 19.265 -15.474 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 3.865 18.985 -15.734 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 2.735 19.905 -16.134 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 -16.431 -8.307 4.109 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 -16.171 -8.517 4.999 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 -16.081 -9.017 3.579 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 4.123 -4.732 -22.518 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 4.303 -4.012 -21.918 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 4.583 -4.502 -23.318 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 14.569 -20.447 17.652 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 14.239 -20.457 18.552 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 14.829 -19.537 17.512 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 -16.633 1.553 -10.814 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 -16.693 1.413 -11.754 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 -17.263 0.943 -10.444 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 2.519 6.672 -15.054 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 2.669 5.762 -14.794 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 3.369 6.972 -15.374 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 -5.061 10.835 4.284 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 -4.801 9.915 4.374 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 -6.011 10.815 4.274 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 -24.081 -19.368 16.355 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 -23.891 -19.638 15.465 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 -24.371 -18.458 16.275 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 11.787 13.726 21.027 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 12.207 14.046 20.227 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 12.247 14.186 21.737 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 16.344 -24.956 2.792 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 17.284 -25.096 2.852 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 15.964 -25.686 3.282 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 11.469 -14.672 -10.838 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 11.769 -15.442 -10.358 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 12.199 -14.062 -10.798 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 5.961 -11.259 -8.461 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 5.311 -11.669 -9.031 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 6.351 -11.989 -7.981 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 6.470 -20.462 16.433 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 5.880 -19.722 16.283 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 6.020 -20.992 17.083 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 8.846 -1.855 17.802 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 9.666 -2.235 17.482 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 9.116 -1.235 18.472 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 11.365 19.691 13.003 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 12.085 19.391 13.563 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 11.065 18.891 12.563 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 9.885 -21.122 -11.253 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 10.325 -21.952 -11.463 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 9.005 -21.222 -11.633 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 -12.434 4.138 2.816 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 -13.214 4.228 3.356 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 -11.704 4.248 3.416 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 13.587 -24.066 4.625 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 12.687 -24.376 4.695 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.087 -24.846 4.385 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.649 -11.221 -19.016 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 14.139 -11.041 -19.826 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 13.389 -10.361 -18.696 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 0.186 -19.856 10.079 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 -0.144 -19.126 9.569 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 0.616 -19.436 10.829 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 -22.933 13.313 -17.238 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 -22.633 14.143 -17.598 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 -22.123 12.823 -17.058 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 -21.819 22.299 24.868 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 -22.599 21.859 25.198 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 -21.319 21.609 24.418 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 24.606 -21.562 -1.951 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 25.046 -21.392 -1.121 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 23.756 -21.912 -1.701 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -22.392 -20.992 -11.841 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -22.922 -20.782 -12.611 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -22.602 -21.912 -11.641 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 20.531 -10.486 6.145 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 21.361 -10.926 5.945 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 20.041 -10.506 5.325 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 1.260 6.708 -17.502 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 1.480 6.578 -16.582 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 0.320 6.558 -17.552 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 1.339 -1.568 17.650 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 0.989 -1.628 18.540 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 2.199 -1.988 17.710 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 8.213 11.977 -25.460 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 7.283 11.797 -25.350 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 8.383 12.707 -24.860 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -5.907 -12.035 -23.081 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -6.657 -12.435 -23.521 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -6.017 -11.095 -23.221 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 -9.184 21.658 -12.365 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 -8.674 21.478 -13.155 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 -9.984 21.158 -12.485 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 0.396 -3.179 -13.981 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 0.346 -2.889 -14.891 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 1.276 -2.959 -13.701 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 9.991 -7.952 19.618 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 9.271 -7.452 19.208 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 10.421 -8.392 18.888 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -21.387 4.824 9.362 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -21.307 4.464 10.242 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -21.897 5.634 9.472 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.063 -2.266 -4.011 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 2.853 -1.986 -3.121 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 3.623 -3.036 -3.891 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -21.257 21.231 19.430 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -20.517 21.301 20.030 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -20.887 21.411 18.570 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 -1.412 6.511 2.231 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 -0.592 6.951 2.011 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 -1.902 6.481 1.411 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 23.040 -4.865 8.735 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 23.860 -5.175 9.115 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 22.470 -5.635 8.745 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -22.776 19.902 -12.797 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -23.666 20.262 -12.847 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -22.876 18.972 -13.007 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -18.479 -13.502 21.893 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -17.909 -13.292 22.643 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -18.729 -12.652 21.533 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 14.498 19.371 -16.380 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 13.818 20.031 -16.490 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 14.888 19.281 -17.250 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 -4.130 -1.506 -1.062 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 -4.280 -2.446 -0.942 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 -4.680 -1.276 -1.812 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 21.670 15.904 23.695 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 21.410 15.664 22.805 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 21.590 15.094 24.195 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 24.530 12.863 -15.168 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 25.170 12.333 -15.638 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 25.030 13.293 -14.478 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 -2.139 -13.876 -11.894 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 -2.899 -13.436 -11.514 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 -2.239 -13.746 -12.834 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 13.096 15.127 -6.783 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 13.856 15.667 -6.963 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 13.386 14.517 -6.103 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 24.431 -6.217 11.382 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 24.951 -6.967 11.082 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 23.571 -6.577 11.562 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 19.736 3.048 15.688 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 19.206 2.248 15.588 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 19.116 3.758 15.548 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 17.701 -19.835 16.020 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 16.821 -19.495 15.840 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 17.571 -20.765 16.170 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 3.443 -17.926 22.615 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 2.923 -18.306 23.325 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 2.833 -17.866 21.875 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 19.571 11.950 -5.230 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 19.671 11.350 -4.500 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 20.311 11.750 -5.810 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 11.456 -11.061 23.159 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 10.616 -11.521 23.219 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 11.346 -10.461 22.419 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 1.709 -22.373 2.877 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 2.449 -22.493 2.277 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 0.939 -22.563 2.347 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 3.586 -13.348 4.276 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 3.566 -12.838 5.086 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 2.666 -13.538 4.086 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 15.858 22.682 1.513 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 15.688 21.892 2.023 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 16.818 22.732 1.453 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 19.576 20.438 -17.314 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 20.296 20.428 -17.944 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 19.646 21.288 -16.884 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 -19.733 -15.092 -6.700 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 -19.413 -15.962 -6.950 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 -19.943 -15.182 -5.770 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -14.120 4.211 -18.616 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -14.610 4.321 -17.806 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -14.250 3.301 -18.866 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 17.560 11.455 -7.053 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 18.150 10.725 -6.843 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 17.590 12.015 -6.273 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -20.441 5.085 18.767 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -20.641 5.415 19.647 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -21.121 5.465 18.207 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -3.280 -4.607 17.844 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -4.180 -4.907 17.724 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.210 -4.407 18.774 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 13.638 22.514 21.527 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 13.668 23.454 21.707 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 12.728 22.334 21.287 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 20.443 7.776 -10.418 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 20.823 7.826 -11.298 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 19.803 8.486 -10.388 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 10.121 -21.747 19.232 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 10.991 -22.087 19.462 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 10.011 -20.977 19.782 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 5.631 17.396 -16.120 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 5.301 16.856 -16.830 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 6.421 17.806 -16.470 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 -18.103 -21.475 -12.021 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 -18.423 -21.005 -12.781 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 -18.823 -21.455 -11.401 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 10.435 0.612 13.229 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 10.245 -0.068 13.869 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 11.085 0.222 12.649 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 -6.821 -22.860 8.551 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 -6.031 -22.810 9.081 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 -7.151 -21.960 8.531 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 17.944 -22.507 0.211 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 17.434 -21.817 -0.199 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 18.704 -22.627 -0.359 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 -13.457 -22.270 20.934 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 -12.607 -22.110 21.344 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 -13.287 -22.950 20.284 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 -13.035 -16.375 -19.408 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 -13.335 -15.935 -20.208 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 -12.265 -15.875 -19.138 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 -8.539 -11.460 4.592 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 -7.759 -11.980 4.422 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 -9.159 -11.730 3.902 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 -5.104 -7.009 21.592 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 -5.524 -6.329 22.112 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 -5.764 -7.709 21.532 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -17.143 20.579 -14.246 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -16.983 20.309 -13.346 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -16.293 20.869 -14.566 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 0.978 4.460 11.413 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 1.818 4.080 11.653 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 1.188 5.150 10.783 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 19.454 -14.029 25.335 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 20.004 -13.389 24.885 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 18.954 -14.449 24.645 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 16.090 24.447 -1.929 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 15.710 25.047 -2.569 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 15.560 24.567 -1.139 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 4.364 -1.359 -21.948 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 4.814 -2.009 -21.418 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 4.944 -0.599 -21.958 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 -23.476 -16.626 7.161 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 -22.816 -16.766 7.831 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 -23.136 -15.886 6.651 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 -4.015 8.704 -14.396 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 -3.245 9.254 -14.276 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 -3.655 7.844 -14.636 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 3.148 23.928 10.380 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 3.068 23.558 9.500 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 3.968 24.418 10.360 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 20.740 -18.635 8.768 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 20.560 -18.195 7.938 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 21.580 -18.255 9.058 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 7.343 -4.868 -18.104 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 6.673 -4.938 -17.424 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 8.053 -5.428 -17.784 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 20.658 -8.428 3.656 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 21.438 -8.208 3.156 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 20.328 -9.228 3.246 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -24.097 -19.570 -10.153 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -24.437 -18.810 -9.683 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.277 -19.780 -9.703 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -5.752 22.581 -17.662 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -5.212 23.011 -18.332 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -5.442 21.681 -17.642 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 -7.955 12.182 -21.331 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 -7.515 11.792 -20.571 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 -8.875 11.922 -21.241 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 10.217 20.770 -0.882 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 10.517 21.620 -1.202 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 10.087 20.910 0.058 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -14.641 15.002 12.746 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -13.881 15.272 13.266 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -14.651 15.602 11.996 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 21.784 5.645 -4.056 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 21.644 6.505 -3.676 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 22.564 5.305 -3.626 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 2.886 23.141 18.890 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 3.466 23.901 18.930 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 3.436 22.401 19.140 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 24.938 4.729 -24.077 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 24.968 4.489 -24.997 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 25.048 5.679 -24.057 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -23.773 20.599 25.045 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -24.033 20.379 24.145 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -24.343 20.059 25.595 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 12.300 -9.605 8.146 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 12.060 -9.285 7.266 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 11.620 -9.255 8.716 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 24.080 -19.102 19.243 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 24.710 -19.112 19.963 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 23.230 -19.242 19.673 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 5.237 20.075 22.035 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 4.817 20.435 21.255 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 4.567 19.535 22.445 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -10.943 15.536 -17.341 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -11.623 15.376 -18.001 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -11.143 14.936 -16.631 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 -19.794 -0.350 -12.248 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 -18.874 -0.260 -12.468 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 -19.924 -1.290 -12.148 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 7.395 12.589 -7.368 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 7.075 13.019 -8.158 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 8.035 11.949 -7.688 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 15.111 16.732 11.861 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 16.061 16.572 11.821 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 14.921 16.832 12.801 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -14.014 21.389 -22.755 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -14.094 21.209 -23.695 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -14.914 21.429 -22.445 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 24.639 3.965 -6.587 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 24.369 4.555 -7.287 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 25.229 4.495 -6.047 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 20.279 -8.797 8.506 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 20.069 -8.997 7.596 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 21.149 -9.187 8.636 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 23.891 -8.461 -9.111 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 23.971 -9.101 -8.411 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 24.431 -8.811 -9.821 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 19.331 -10.600 -4.759 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 19.611 -11.410 -5.189 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 18.701 -10.220 -5.369 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 25.511 9.334 7.123 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 24.881 9.924 7.553 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 24.991 8.874 6.473 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 0.751 -12.711 -8.179 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 0.271 -12.071 -8.699 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 0.341 -13.551 -8.389 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 24.150 4.204 -9.597 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 23.460 3.664 -9.207 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 24.880 3.604 -9.707 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 -11.936 12.312 -2.254 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 -12.786 12.292 -1.804 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 -11.916 13.162 -2.694 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -4.280 24.511 -15.663 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -3.590 23.971 -15.283 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -4.850 23.881 -16.123 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -20.774 -24.239 -5.931 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -21.624 -23.989 -5.551 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -20.674 -25.159 -5.691 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 7.244 -24.173 -5.929 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 7.854 -23.583 -6.359 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 6.394 -23.753 -6.019 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 7.487 -23.319 4.945 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 6.977 -22.809 4.325 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 6.877 -23.509 5.655 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 18.660 -15.574 20.125 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 19.020 -16.264 20.675 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 18.600 -14.814 20.705 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 21.149 11.768 15.989 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 21.749 12.508 15.929 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 20.329 12.088 15.619 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -17.643 -24.538 22.155 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -18.343 -25.178 22.305 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -16.873 -24.928 22.565 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 -13.182 -8.500 -6.878 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 -12.832 -8.760 -7.728 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 -14.122 -8.620 -6.958 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 -3.065 -20.046 11.691 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 -2.895 -20.376 12.581 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 -2.735 -19.146 11.701 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 0.020 -6.458 -0.786 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 -0.730 -6.618 -0.216 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 0.100 -7.258 -1.306 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 14.520 23.850 4.222 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 15.220 23.610 4.832 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 13.930 23.090 4.232 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.466 -7.565 12.635 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.176 -7.315 13.515 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.726 -8.485 12.715 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 15.644 -7.438 3.316 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 15.704 -8.088 4.016 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 16.524 -7.408 2.946 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -9.123 18.242 9.192 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -8.733 19.112 9.112 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -9.913 18.372 9.712 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -13.645 -14.867 6.291 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -13.505 -13.937 6.081 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -13.835 -14.877 7.231 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 19.874 -6.428 5.080 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 20.534 -5.858 4.690 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 19.954 -7.258 4.600 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 -21.576 0.119 12.050 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 -22.396 0.249 11.580 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 -21.246 -0.721 11.730 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 0.896 18.281 23.992 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 0.086 18.711 24.282 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 0.686 17.931 23.122 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 15.017 12.273 8.850 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 15.477 13.113 8.960 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 14.297 12.473 8.250 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 -9.406 11.533 17.880 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 -8.936 11.223 17.110 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 -8.726 11.663 18.540 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -21.894 -19.513 8.322 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -21.724 -20.323 7.852 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -22.814 -19.323 8.152 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 -5.093 -8.472 -23.241 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 -4.373 -8.402 -22.621 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 -4.863 -7.872 -23.951 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 9.647 0.451 23.545 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 8.827 0.751 23.155 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 9.967 -0.209 22.935 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 14.816 4.635 -3.448 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 13.956 4.955 -3.738 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 15.346 4.655 -4.238 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 4.696 19.155 5.850 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 4.686 18.695 6.690 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 3.826 19.555 5.780 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 15.003 17.689 23.775 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 15.423 17.969 22.955 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 14.493 18.449 24.045 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -23.897 -9.227 -16.804 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -23.957 -10.117 -16.454 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -24.577 -9.197 -17.474 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 4.134 -1.379 -0.591 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 3.864 -1.039 0.259 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 3.714 -0.789 -1.221 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 23.970 -18.641 -0.584 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 24.180 -18.551 -1.514 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 24.790 -18.901 -0.174 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 -17.743 18.110 -1.371 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 -17.473 17.490 -2.041 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 -18.183 18.810 -1.851 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 15.323 21.805 -8.828 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 15.323 22.545 -8.218 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 15.113 21.045 -8.288 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -3.455 -0.280 14.328 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -4.095 -0.810 13.848 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -3.975 0.420 14.728 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 -17.123 -7.243 21.705 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 -17.003 -7.623 20.835 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 -18.023 -6.903 21.685 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 -6.595 -10.208 -17.577 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 -7.005 -10.398 -16.737 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 -5.715 -10.578 -17.507 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -21.274 -0.622 17.681 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -20.514 -0.052 17.771 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -21.114 -1.122 16.871 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 -1.510 22.513 -9.871 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 -2.130 21.903 -9.471 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 -0.770 21.963 -10.121 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -10.226 -0.741 -17.499 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -10.876 -0.641 -18.189 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -9.596 -0.031 -17.649 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -13.240 3.989 -5.359 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -14.060 4.459 -5.169 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -12.640 4.669 -5.669 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 24.863 6.179 -1.537 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 25.183 5.619 -2.247 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 25.513 6.069 -0.837 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 -11.809 -0.634 -5.754 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 -11.469 -1.524 -5.754 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 -12.319 -0.564 -4.944 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -16.783 -10.102 -20.145 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -17.583 -10.222 -19.635 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -17.093 -9.832 -21.005 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -10.626 -7.505 13.141 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -11.576 -7.505 13.231 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -10.296 -7.765 14.001 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 3.267 1.608 6.849 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 2.537 2.158 6.569 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 3.147 1.508 7.789 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -6.790 -14.142 0.093 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -7.300 -13.412 0.453 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -6.690 -14.742 0.833 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.276 -1.859 -8.795 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.216 -1.899 -7.835 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 21.686 -2.539 -9.105 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 8.715 -24.919 8.361 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 8.945 -25.749 7.931 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 8.025 -24.549 7.811 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 -17.651 20.727 15.801 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 -17.551 21.077 14.911 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 -18.341 20.077 15.721 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.721 6.489 9.575 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.079 6.319 10.075 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.981 7.379 9.835 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 12.583 9.082 -17.221 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 12.373 8.382 -17.841 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 12.583 9.882 -17.751 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 7.109 7.649 -21.254 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 7.319 7.889 -20.354 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 7.869 7.139 -21.544 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -23.734 24.648 -4.162 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -24.334 24.168 -4.732 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -22.894 24.188 -4.242 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -10.325 2.174 -3.348 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -10.245 2.094 -4.298 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -9.715 1.524 -2.998 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 3.694 1.292 18.992 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 2.884 0.852 19.262 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 4.014 0.782 18.252 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -9.409 3.097 -17.122 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -9.149 3.907 -16.682 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -10.349 3.197 -17.272 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 -10.867 21.763 -22.355 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 -11.777 22.033 -22.265 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 -10.757 21.583 -23.285 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.270 0.563 -9.701 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.160 0.443 -10.641 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -22.210 0.693 -9.581 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 2.938 -1.611 -19.051 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 3.028 -1.201 -19.911 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 1.998 -1.761 -18.951 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.226 -1.960 16.047 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 17.256 -1.210 15.447 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 18.026 -1.880 16.567 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 -1.977 22.472 -23.618 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 -2.157 23.212 -23.038 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 -1.867 22.852 -24.488 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -19.314 10.880 13.167 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -20.074 10.320 13.277 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -18.714 10.620 13.867 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -20.714 19.334 7.273 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -19.904 19.844 7.323 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.124 19.624 6.463 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 -15.937 -23.772 18.353 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 -16.737 -23.572 17.873 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 -15.407 -22.972 18.283 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 9.238 -17.389 23.831 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 9.178 -17.419 24.781 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 9.418 -18.289 23.571 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -22.027 8.790 4.046 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -22.947 9.020 3.936 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -21.687 9.450 4.646 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 15.875 -8.158 17.319 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 16.265 -7.288 17.309 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 15.265 -8.148 18.059 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 -3.541 -6.131 -18.449 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 -3.111 -6.301 -17.609 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 -4.481 -6.141 -18.239 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 21.485 10.119 12.392 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 21.405 10.859 11.792 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 21.895 9.429 11.862 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -0.422 18.338 13.456 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -1.112 17.838 13.006 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -0.082 17.728 14.106 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 18.754 -21.820 -15.889 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 18.344 -21.140 -15.349 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 18.574 -22.630 -15.419 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -19.469 -22.510 -3.154 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -19.109 -22.820 -3.994 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.359 -22.230 -3.364 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 0.148 -19.347 23.347 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 0.708 -18.847 23.937 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -0.282 -19.987 23.907 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 17.609 7.417 3.709 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 16.739 7.347 4.109 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 17.549 8.157 3.109 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 17.167 -13.991 11.135 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 16.467 -14.641 11.045 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 16.837 -13.381 11.795 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 -6.464 0.711 -13.656 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 -6.464 1.201 -12.836 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 -6.784 1.341 -14.306 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 18.520 7.441 -6.878 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 19.020 8.201 -7.158 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 18.380 7.561 -5.938 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 14.304 -10.415 15.271 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 13.864 -10.265 16.111 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 14.664 -9.565 15.031 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 -3.556 17.109 21.932 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 -3.166 16.859 21.092 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 -2.846 17.029 22.562 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -12.394 -13.193 -14.336 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -12.954 -12.863 -15.036 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -11.504 -13.153 -14.696 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 -23.203 -19.089 19.789 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 -23.163 -18.139 19.889 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 -23.283 -19.419 20.689 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -14.669 -18.509 -12.371 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -14.529 -18.359 -13.301 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -15.099 -19.369 -12.331 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -16.453 5.791 -18.642 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -16.073 6.631 -18.912 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -15.723 5.311 -18.252 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 -2.807 16.735 7.611 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 -3.677 17.105 7.791 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 -2.217 17.485 7.681 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 -24.530 13.667 -19.384 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 -23.940 13.247 -20.014 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 -24.010 13.737 -18.584 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -9.701 9.480 -4.813 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -9.721 10.120 -5.523 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -9.911 8.640 -5.233 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 21.266 -6.843 -5.228 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 21.646 -7.673 -5.538 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 21.996 -6.373 -4.848 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -24.897 -4.451 18.666 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -25.677 -4.841 19.056 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.347 -4.221 19.416 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -18.357 21.695 -0.353 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -18.787 21.725 -1.213 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -17.457 21.975 -0.523 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 23.958 14.194 8.811 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 24.378 13.474 8.351 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 23.098 14.284 8.401 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 5.465 22.557 -14.198 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 5.345 22.177 -13.318 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 5.655 21.797 -14.748 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 -1.537 -22.860 15.629 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 -1.137 -23.530 16.189 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 -1.647 -23.290 14.789 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.387 19.876 15.445 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.937 19.346 14.865 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 13.987 20.216 16.095 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 10.956 3.198 15.783 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 10.066 3.218 16.143 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 10.946 2.468 15.163 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 -19.121 7.463 -22.349 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 -19.131 8.413 -22.379 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 -18.591 7.203 -23.109 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 0.383 10.035 -17.476 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 0.803 9.925 -16.626 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 -0.557 10.075 -17.286 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 -22.499 -7.314 -18.494 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 -22.869 -7.594 -19.324 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 -22.989 -7.794 -17.834 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 17.383 -18.620 -11.898 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 18.233 -18.850 -12.258 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 17.583 -18.120 -11.098 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 4.144 -20.799 3.432 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 5.024 -21.019 3.132 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 4.274 -20.379 4.272 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -7.785 -21.042 -16.008 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -8.375 -21.182 -16.738 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -7.675 -21.912 -15.618 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 24.775 -21.073 13.553 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 25.125 -21.963 13.493 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 25.535 -20.513 13.683 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 0.849 20.413 -18.110 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 -0.031 20.053 -18.000 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 0.969 20.483 -19.060 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -11.994 -7.516 6.825 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -12.064 -8.066 7.615 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -11.104 -7.156 6.875 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 -12.701 -7.962 22.590 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 -12.581 -8.822 23.000 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 -11.811 -7.652 22.430 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -18.683 5.445 16.526 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -19.353 5.015 15.996 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -19.093 6.255 16.836 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 -14.993 9.555 11.235 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 -14.793 9.405 12.165 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 -15.473 10.385 11.225 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -12.582 -13.777 22.123 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -12.332 -13.627 21.203 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -11.812 -14.207 22.513 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 -22.722 -12.151 -13.712 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 -23.392 -12.751 -14.022 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 -22.122 -12.061 -14.452 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -6.653 12.270 17.625 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -7.203 11.840 16.975 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -5.833 11.770 17.615 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 8.158 10.250 17.193 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 7.378 10.660 16.833 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 7.958 10.100 18.113 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 6.304 -19.027 -9.571 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 5.394 -19.167 -9.821 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 6.764 -19.797 -9.901 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 17.064 24.912 -21.101 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 17.964 25.002 -21.401 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 16.914 25.692 -20.561 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -0.407 22.593 1.292 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 0.173 23.353 1.262 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -0.827 22.583 0.432 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 0.386 24.137 -14.996 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 1.226 23.707 -15.176 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 0.566 24.707 -14.246 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 -6.665 10.342 -13.409 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 -5.965 9.712 -13.229 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 -7.015 10.562 -12.549 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 21.986 -22.869 14.595 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 21.296 -22.209 14.565 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 22.776 -22.399 14.325 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 25.273 -22.360 -11.930 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 25.293 -21.420 -12.070 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 24.653 -22.490 -11.210 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 19.041 10.150 -21.658 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 19.521 9.920 -20.868 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 18.441 10.840 -21.388 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 20.838 9.237 -3.895 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -23.495 -23.667 -18.264 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 11.536 -3.191 16.869 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 20.884 1.260 -2.048 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.743 -22.057 -24.460 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 -18.307 -11.782 12.097 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 -19.319 -25.060 -19.308 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -20.347 -19.248 -4.593 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 22.489 -18.017 -12.898 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -5.954 17.727 17.988 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 15.134 10.360 0.475 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.668 -14.449 -20.881 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 -15.335 17.229 -9.520 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 20.101 2.700 -4.255 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -22.731 -23.935 23.584 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 14.783 -21.218 -19.490 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 -17.410 -23.239 -13.181 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/input/e3s1_e2s1p0f6/structure.psf b/adaptivemd/input/e3s1_e2s1p0f6/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/input/e3s1_e2s1p0f6/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 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162 TIP3 H1 HT 0.417000 1.0080 0 + 796 WT0 162 TIP3 H2 HT 0.417000 1.0080 0 + 797 WT0 163 TIP3 OH2 OT -0.834000 15.9994 0 + 798 WT0 163 TIP3 H1 HT 0.417000 1.0080 0 + 799 WT0 163 TIP3 H2 HT 0.417000 1.0080 0 + 800 WT0 167 TIP3 OH2 OT -0.834000 15.9994 0 + 801 WT0 167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 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515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 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599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 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687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 0.417000 1.0080 0 + 1366 WT0 749 TIP3 H2 HT 0.417000 1.0080 0 + 1367 WT0 759 TIP3 OH2 OT -0.834000 15.9994 0 + 1368 WT0 759 TIP3 H1 HT 0.417000 1.0080 0 + 1369 WT0 759 TIP3 H2 HT 0.417000 1.0080 0 + 1370 WT0 761 TIP3 OH2 OT -0.834000 15.9994 0 + 1371 WT0 761 TIP3 H1 HT 0.417000 1.0080 0 + 1372 WT0 761 TIP3 H2 HT 0.417000 1.0080 0 + 1373 WT0 765 TIP3 OH2 OT -0.834000 15.9994 0 + 1374 WT0 765 TIP3 H1 HT 0.417000 1.0080 0 + 1375 WT0 765 TIP3 H2 HT 0.417000 1.0080 0 + 1376 WT0 778 TIP3 OH2 OT -0.834000 15.9994 0 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809 TIP3 H2 HT 0.417000 1.0080 0 + 1400 WT0 811 TIP3 OH2 OT -0.834000 15.9994 0 + 1401 WT0 811 TIP3 H1 HT 0.417000 1.0080 0 + 1402 WT0 811 TIP3 H2 HT 0.417000 1.0080 0 + 1403 WT0 813 TIP3 OH2 OT -0.834000 15.9994 0 + 1404 WT0 813 TIP3 H1 HT 0.417000 1.0080 0 + 1405 WT0 813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT -0.834000 15.9994 0 + 1413 WT0 822 TIP3 H1 HT 0.417000 1.0080 0 + 1414 WT0 822 TIP3 H2 HT 0.417000 1.0080 0 + 1415 WT0 835 TIP3 OH2 OT -0.834000 15.9994 0 + 1416 WT0 835 TIP3 H1 HT 0.417000 1.0080 0 + 1417 WT0 835 TIP3 H2 HT 0.417000 1.0080 0 + 1418 WT0 849 TIP3 OH2 OT -0.834000 15.9994 0 + 1419 WT0 849 TIP3 H1 HT 0.417000 1.0080 0 + 1420 WT0 849 TIP3 H2 HT 0.417000 1.0080 0 + 1421 WT0 852 TIP3 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942 TIP3 H2 HT 0.417000 1.0080 0 + 1511 WT0 947 TIP3 OH2 OT -0.834000 15.9994 0 + 1512 WT0 947 TIP3 H1 HT 0.417000 1.0080 0 + 1513 WT0 947 TIP3 H2 HT 0.417000 1.0080 0 + 1514 WT0 948 TIP3 OH2 OT -0.834000 15.9994 0 + 1515 WT0 948 TIP3 H1 HT 0.417000 1.0080 0 + 1516 WT0 948 TIP3 H2 HT 0.417000 1.0080 0 + 1517 WT0 949 TIP3 OH2 OT -0.834000 15.9994 0 + 1518 WT0 949 TIP3 H1 HT 0.417000 1.0080 0 + 1519 WT0 949 TIP3 H2 HT 0.417000 1.0080 0 + 1520 WT0 950 TIP3 OH2 OT -0.834000 15.9994 0 + 1521 WT0 950 TIP3 H1 HT 0.417000 1.0080 0 + 1522 WT0 950 TIP3 H2 HT 0.417000 1.0080 0 + 1523 WT0 951 TIP3 OH2 OT -0.834000 15.9994 0 + 1524 WT0 951 TIP3 H1 HT 0.417000 1.0080 0 + 1525 WT0 951 TIP3 H2 HT 0.417000 1.0080 0 + 1526 WT0 952 TIP3 OH2 OT -0.834000 15.9994 0 + 1527 WT0 952 TIP3 H1 HT 0.417000 1.0080 0 + 1528 WT0 952 TIP3 H2 HT 0.417000 1.0080 0 + 1529 WT0 953 TIP3 OH2 OT -0.834000 15.9994 0 + 1530 WT0 953 TIP3 H1 HT 0.417000 1.0080 0 + 1531 WT0 953 TIP3 H2 HT 0.417000 1.0080 0 + 1532 WT0 954 TIP3 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1.0080 0 + 1577 WT0 989 TIP3 OH2 OT -0.834000 15.9994 0 + 1578 WT0 989 TIP3 H1 HT 0.417000 1.0080 0 + 1579 WT0 989 TIP3 H2 HT 0.417000 1.0080 0 + 1580 WT0 990 TIP3 OH2 OT -0.834000 15.9994 0 + 1581 WT0 990 TIP3 H1 HT 0.417000 1.0080 0 + 1582 WT0 990 TIP3 H2 HT 0.417000 1.0080 0 + 1583 WT0 991 TIP3 OH2 OT -0.834000 15.9994 0 + 1584 WT0 991 TIP3 H1 HT 0.417000 1.0080 0 + 1585 WT0 991 TIP3 H2 HT 0.417000 1.0080 0 + 1586 WT0 992 TIP3 OH2 OT -0.834000 15.9994 0 + 1587 WT0 992 TIP3 H1 HT 0.417000 1.0080 0 + 1588 WT0 992 TIP3 H2 HT 0.417000 1.0080 0 + 1589 WT0 994 TIP3 OH2 OT -0.834000 15.9994 0 + 1590 WT0 994 TIP3 H1 HT 0.417000 1.0080 0 + 1591 WT0 994 TIP3 H2 HT 0.417000 1.0080 0 + 1592 WT0 995 TIP3 OH2 OT -0.834000 15.9994 0 + 1593 WT0 995 TIP3 H1 HT 0.417000 1.0080 0 + 1594 WT0 995 TIP3 H2 HT 0.417000 1.0080 0 + 1595 WT0 996 TIP3 OH2 OT -0.834000 15.9994 0 + 1596 WT0 996 TIP3 H1 HT 0.417000 1.0080 0 + 1597 WT0 996 TIP3 H2 HT 0.417000 1.0080 0 + 1598 WT0 1004 TIP3 OH2 OT -0.834000 15.9994 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1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 + 1670 WT0 1058 TIP3 OH2 OT -0.834000 15.9994 0 + 1671 WT0 1058 TIP3 H1 HT 0.417000 1.0080 0 + 1672 WT0 1058 TIP3 H2 HT 0.417000 1.0080 0 + 1673 WT0 1059 TIP3 OH2 OT -0.834000 15.9994 0 + 1674 WT0 1059 TIP3 H1 HT 0.417000 1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 + 1678 WT0 1060 TIP3 H2 HT 0.417000 1.0080 0 + 1679 WT0 1061 TIP3 OH2 OT -0.834000 15.9994 0 + 1680 WT0 1061 TIP3 H1 HT 0.417000 1.0080 0 + 1681 WT0 1061 TIP3 H2 HT 0.417000 1.0080 0 + 1682 WT0 1062 TIP3 OH2 OT -0.834000 15.9994 0 + 1683 WT0 1062 TIP3 H1 HT 0.417000 1.0080 0 + 1684 WT0 1062 TIP3 H2 HT 0.417000 1.0080 0 + 1685 WT0 1063 TIP3 OH2 OT 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1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 + 2299 WT0 1518 TIP3 H2 HT 0.417000 1.0080 0 + 2300 WT0 1519 TIP3 OH2 OT -0.834000 15.9994 0 + 2301 WT0 1519 TIP3 H1 HT 0.417000 1.0080 0 + 2302 WT0 1519 TIP3 H2 HT 0.417000 1.0080 0 + 2303 WT0 1520 TIP3 OH2 OT -0.834000 15.9994 0 + 2304 WT0 1520 TIP3 H1 HT 0.417000 1.0080 0 + 2305 WT0 1520 TIP3 H2 HT 0.417000 1.0080 0 + 2306 WT0 1522 TIP3 OH2 OT -0.834000 15.9994 0 + 2307 WT0 1522 TIP3 H1 HT 0.417000 1.0080 0 + 2308 WT0 1522 TIP3 H2 HT 0.417000 1.0080 0 + 2309 WT0 1524 TIP3 OH2 OT -0.834000 15.9994 0 + 2310 WT0 1524 TIP3 H1 HT 0.417000 1.0080 0 + 2311 WT0 1524 TIP3 H2 HT 0.417000 1.0080 0 + 2312 WT0 1526 TIP3 OH2 OT -0.834000 15.9994 0 + 2313 WT0 1526 TIP3 H1 HT 0.417000 1.0080 0 + 2314 WT0 1526 TIP3 H2 HT 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2640 WT0 1790 TIP3 H1 HT 0.417000 1.0080 0 + 2641 WT0 1790 TIP3 H2 HT 0.417000 1.0080 0 + 2642 WT0 1794 TIP3 OH2 OT -0.834000 15.9994 0 + 2643 WT0 1794 TIP3 H1 HT 0.417000 1.0080 0 + 2644 WT0 1794 TIP3 H2 HT 0.417000 1.0080 0 + 2645 WT0 1795 TIP3 OH2 OT -0.834000 15.9994 0 + 2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 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3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT -0.834000 15.9994 0 + 3666 WT0 2403 TIP3 H1 HT 0.417000 1.0080 0 + 3667 WT0 2403 TIP3 H2 HT 0.417000 1.0080 0 + 3668 WT0 2404 TIP3 OH2 OT -0.834000 15.9994 0 + 3669 WT0 2404 TIP3 H1 HT 0.417000 1.0080 0 + 3670 WT0 2404 TIP3 H2 HT 0.417000 1.0080 0 + 3671 WT0 2405 TIP3 OH2 OT -0.834000 15.9994 0 + 3672 WT0 2405 TIP3 H1 HT 0.417000 1.0080 0 + 3673 WT0 2405 TIP3 H2 HT 0.417000 1.0080 0 + 3674 WT0 2406 TIP3 OH2 OT -0.834000 15.9994 0 + 3675 WT0 2406 TIP3 H1 HT 0.417000 1.0080 0 + 3676 WT0 2406 TIP3 H2 HT 0.417000 1.0080 0 + 3677 WT0 2407 TIP3 OH2 OT -0.834000 15.9994 0 + 3678 WT0 2407 TIP3 H1 HT 0.417000 1.0080 0 + 3679 WT0 2407 TIP3 H2 HT 0.417000 1.0080 0 + 3680 WT0 2408 TIP3 OH2 OT -0.834000 15.9994 0 + 3681 WT0 2408 TIP3 H1 HT 0.417000 1.0080 0 + 3682 WT0 2408 TIP3 H2 HT 0.417000 1.0080 0 + 3683 WT0 2409 TIP3 OH2 OT -0.834000 15.9994 0 + 3684 WT0 2409 TIP3 H1 HT 0.417000 1.0080 0 + 3685 WT0 2409 TIP3 H2 HT 0.417000 1.0080 0 + 3686 WT0 2411 TIP3 OH2 OT -0.834000 15.9994 0 + 3687 WT0 2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3725 WT0 2430 TIP3 OH2 OT -0.834000 15.9994 0 + 3726 WT0 2430 TIP3 H1 HT 0.417000 1.0080 0 + 3727 WT0 2430 TIP3 H2 HT 0.417000 1.0080 0 + 3728 WT0 2432 TIP3 OH2 OT -0.834000 15.9994 0 + 3729 WT0 2432 TIP3 H1 HT 0.417000 1.0080 0 + 3730 WT0 2432 TIP3 H2 HT 0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT -0.834000 15.9994 0 + 3948 WT0 2610 TIP3 H1 HT 0.417000 1.0080 0 + 3949 WT0 2610 TIP3 H2 HT 0.417000 1.0080 0 + 3950 WT0 2613 TIP3 OH2 OT -0.834000 15.9994 0 + 3951 WT0 2613 TIP3 H1 HT 0.417000 1.0080 0 + 3952 WT0 2613 TIP3 H2 HT 0.417000 1.0080 0 + 3953 WT0 2616 TIP3 OH2 OT -0.834000 15.9994 0 + 3954 WT0 2616 TIP3 H1 HT 0.417000 1.0080 0 + 3955 WT0 2616 TIP3 H2 HT 0.417000 1.0080 0 + 3956 WT0 2617 TIP3 OH2 OT -0.834000 15.9994 0 + 3957 WT0 2617 TIP3 H1 HT 0.417000 1.0080 0 + 3958 WT0 2617 TIP3 H2 HT 0.417000 1.0080 0 + 3959 WT0 2618 TIP3 OH2 OT -0.834000 15.9994 0 + 3960 WT0 2618 TIP3 H1 HT 0.417000 1.0080 0 + 3961 WT0 2618 TIP3 H2 HT 0.417000 1.0080 0 + 3962 WT0 2628 TIP3 OH2 OT -0.834000 15.9994 0 + 3963 WT0 2628 TIP3 H1 HT 0.417000 1.0080 0 + 3964 WT0 2628 TIP3 H2 HT 0.417000 1.0080 0 + 3965 WT0 2634 TIP3 OH2 OT -0.834000 15.9994 0 + 3966 WT0 2634 TIP3 H1 HT 0.417000 1.0080 0 + 3967 WT0 2634 TIP3 H2 HT 0.417000 1.0080 0 + 3968 WT0 2635 TIP3 OH2 OT -0.834000 15.9994 0 + 3969 WT0 2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4007 WT0 2670 TIP3 OH2 OT -0.834000 15.9994 0 + 4008 WT0 2670 TIP3 H1 HT 0.417000 1.0080 0 + 4009 WT0 2670 TIP3 H2 HT 0.417000 1.0080 0 + 4010 WT0 2673 TIP3 OH2 OT -0.834000 15.9994 0 + 4011 WT0 2673 TIP3 H1 HT 0.417000 1.0080 0 + 4012 WT0 2673 TIP3 H2 HT 0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT 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2808 TIP3 H1 HT 0.417000 1.0080 0 + 4246 WT0 2808 TIP3 H2 HT 0.417000 1.0080 0 + 4247 WT0 2809 TIP3 OH2 OT -0.834000 15.9994 0 + 4248 WT0 2809 TIP3 H1 HT 0.417000 1.0080 0 + 4249 WT0 2809 TIP3 H2 HT 0.417000 1.0080 0 + 4250 WT0 2815 TIP3 OH2 OT -0.834000 15.9994 0 + 4251 WT0 2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4289 WT0 2840 TIP3 OH2 OT -0.834000 15.9994 0 + 4290 WT0 2840 TIP3 H1 HT 0.417000 1.0080 0 + 4291 WT0 2840 TIP3 H2 HT 0.417000 1.0080 0 + 4292 WT0 2842 TIP3 OH2 OT -0.834000 15.9994 0 + 4293 WT0 2842 TIP3 H1 HT 0.417000 1.0080 0 + 4294 WT0 2842 TIP3 H2 HT 0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 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4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 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2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 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4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT -0.834000 15.9994 0 + 4794 WT0 3192 TIP3 H1 HT 0.417000 1.0080 0 + 4795 WT0 3192 TIP3 H2 HT 0.417000 1.0080 0 + 4796 WT0 3193 TIP3 OH2 OT -0.834000 15.9994 0 + 4797 WT0 3193 TIP3 H1 HT 0.417000 1.0080 0 + 4798 WT0 3193 TIP3 H2 HT 0.417000 1.0080 0 + 4799 WT0 3196 TIP3 OH2 OT -0.834000 15.9994 0 + 4800 WT0 3196 TIP3 H1 HT 0.417000 1.0080 0 + 4801 WT0 3196 TIP3 H2 HT 0.417000 1.0080 0 + 4802 WT0 3197 TIP3 OH2 OT -0.834000 15.9994 0 + 4803 WT0 3197 TIP3 H1 HT 0.417000 1.0080 0 + 4804 WT0 3197 TIP3 H2 HT 0.417000 1.0080 0 + 4805 WT0 3198 TIP3 OH2 OT -0.834000 15.9994 0 + 4806 WT0 3198 TIP3 H1 HT 0.417000 1.0080 0 + 4807 WT0 3198 TIP3 H2 HT 0.417000 1.0080 0 + 4808 WT0 3203 TIP3 OH2 OT -0.834000 15.9994 0 + 4809 WT0 3203 TIP3 H1 HT 0.417000 1.0080 0 + 4810 WT0 3203 TIP3 H2 HT 0.417000 1.0080 0 + 4811 WT0 3205 TIP3 OH2 OT -0.834000 15.9994 0 + 4812 WT0 3205 TIP3 H1 HT 0.417000 1.0080 0 + 4813 WT0 3205 TIP3 H2 HT 0.417000 1.0080 0 + 4814 WT0 3207 TIP3 OH2 OT -0.834000 15.9994 0 + 4815 WT0 3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4853 WT0 3234 TIP3 OH2 OT -0.834000 15.9994 0 + 4854 WT0 3234 TIP3 H1 HT 0.417000 1.0080 0 + 4855 WT0 3234 TIP3 H2 HT 0.417000 1.0080 0 + 4856 WT0 3236 TIP3 OH2 OT -0.834000 15.9994 0 + 4857 WT0 3236 TIP3 H1 HT 0.417000 1.0080 0 + 4858 WT0 3236 TIP3 H2 HT 0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 + 5416 WT0 3628 TIP3 H2 HT 0.417000 1.0080 0 + 5417 WT0 3629 TIP3 OH2 OT -0.834000 15.9994 0 + 5418 WT0 3629 TIP3 H1 HT 0.417000 1.0080 0 + 5419 WT0 3629 TIP3 H2 HT 0.417000 1.0080 0 + 5420 WT0 3633 TIP3 OH2 OT -0.834000 15.9994 0 + 5421 WT0 3633 TIP3 H1 HT 0.417000 1.0080 0 + 5422 WT0 3633 TIP3 H2 HT 0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT -0.834000 15.9994 0 + 5922 WT0 3997 TIP3 H1 HT 0.417000 1.0080 0 + 5923 WT0 3997 TIP3 H2 HT 0.417000 1.0080 0 + 5924 WT0 3998 TIP3 OH2 OT -0.834000 15.9994 0 + 5925 WT0 3998 TIP3 H1 HT 0.417000 1.0080 0 + 5926 WT0 3998 TIP3 H2 HT 0.417000 1.0080 0 + 5927 WT0 3999 TIP3 OH2 OT -0.834000 15.9994 0 + 5928 WT0 3999 TIP3 H1 HT 0.417000 1.0080 0 + 5929 WT0 3999 TIP3 H2 HT 0.417000 1.0080 0 + 5930 WT0 4000 TIP3 OH2 OT -0.834000 15.9994 0 + 5931 WT0 4000 TIP3 H1 HT 0.417000 1.0080 0 + 5932 WT0 4000 TIP3 H2 HT 0.417000 1.0080 0 + 5933 WT0 4001 TIP3 OH2 OT -0.834000 15.9994 0 + 5934 WT0 4001 TIP3 H1 HT 0.417000 1.0080 0 + 5935 WT0 4001 TIP3 H2 HT 0.417000 1.0080 0 + 5936 WT0 4002 TIP3 OH2 OT -0.834000 15.9994 0 + 5937 WT0 4002 TIP3 H1 HT 0.417000 1.0080 0 + 5938 WT0 4002 TIP3 H2 HT 0.417000 1.0080 0 + 5939 WT0 4004 TIP3 OH2 OT -0.834000 15.9994 0 + 5940 WT0 4004 TIP3 H1 HT 0.417000 1.0080 0 + 5941 WT0 4004 TIP3 H2 HT 0.417000 1.0080 0 + 5942 WT0 4005 TIP3 OH2 OT -0.834000 15.9994 0 + 5943 WT0 4005 TIP3 H1 HT 0.417000 1.0080 0 + 5944 WT0 4005 TIP3 H2 HT 0.417000 1.0080 0 + 5945 WT0 4006 TIP3 OH2 OT -0.834000 15.9994 0 + 5946 WT0 4006 TIP3 H1 HT 0.417000 1.0080 0 + 5947 WT0 4006 TIP3 H2 HT 0.417000 1.0080 0 + 5948 WT0 4008 TIP3 OH2 OT -0.834000 15.9994 0 + 5949 WT0 4008 TIP3 H1 HT 0.417000 1.0080 0 + 5950 WT0 4008 TIP3 H2 HT 0.417000 1.0080 0 + 5951 WT0 4009 TIP3 OH2 OT -0.834000 15.9994 0 + 5952 WT0 4009 TIP3 H1 HT 0.417000 1.0080 0 + 5953 WT0 4009 TIP3 H2 HT 0.417000 1.0080 0 + 5954 WT0 4010 TIP3 OH2 OT -0.834000 15.9994 0 + 5955 WT0 4010 TIP3 H1 HT 0.417000 1.0080 0 + 5956 WT0 4010 TIP3 H2 HT 0.417000 1.0080 0 + 5957 WT0 4012 TIP3 OH2 OT -0.834000 15.9994 0 + 5958 WT0 4012 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5981 WT0 4022 TIP3 OH2 OT -0.834000 15.9994 0 + 5982 WT0 4022 TIP3 H1 HT 0.417000 1.0080 0 + 5983 WT0 4022 TIP3 H2 HT 0.417000 1.0080 0 + 5984 WT0 4026 TIP3 OH2 OT -0.834000 15.9994 0 + 5985 WT0 4026 TIP3 H1 HT 0.417000 1.0080 0 + 5986 WT0 4026 TIP3 H2 HT 0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 1.0080 0 + 5995 WT0 4035 TIP3 H2 HT 0.417000 1.0080 0 + 5996 WT0 4036 TIP3 OH2 OT -0.834000 15.9994 0 + 5997 WT0 4036 TIP3 H1 HT 0.417000 1.0080 0 + 5998 WT0 4036 TIP3 H2 HT 0.417000 1.0080 0 + 5999 WT0 4037 TIP3 OH2 OT -0.834000 15.9994 0 + 6000 WT0 4037 TIP3 H1 HT 0.417000 1.0080 0 + 6001 WT0 4037 TIP3 H2 HT 0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 6068 WT0 4077 TIP3 OH2 OT -0.834000 15.9994 0 + 6069 WT0 4077 TIP3 H1 HT 0.417000 1.0080 0 + 6070 WT0 4077 TIP3 H2 HT 0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 1.0080 0 + 6187 WT0 4147 TIP3 H2 HT 0.417000 1.0080 0 + 6188 WT0 4148 TIP3 OH2 OT -0.834000 15.9994 0 + 6189 WT0 4148 TIP3 H1 HT 0.417000 1.0080 0 + 6190 WT0 4148 TIP3 H2 HT 0.417000 1.0080 0 + 6191 WT0 4149 TIP3 OH2 OT -0.834000 15.9994 0 + 6192 WT0 4149 TIP3 H1 HT 0.417000 1.0080 0 + 6193 WT0 4149 TIP3 H2 HT 0.417000 1.0080 0 + 6194 WT0 4150 TIP3 OH2 OT -0.834000 15.9994 0 + 6195 WT0 4150 TIP3 H1 HT 0.417000 1.0080 0 + 6196 WT0 4150 TIP3 H2 HT 0.417000 1.0080 0 + 6197 WT0 4151 TIP3 OH2 OT 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0.417000 1.0080 0 + 6263 WT0 4191 TIP3 OH2 OT -0.834000 15.9994 0 + 6264 WT0 4191 TIP3 H1 HT 0.417000 1.0080 0 + 6265 WT0 4191 TIP3 H2 HT 0.417000 1.0080 0 + 6266 WT0 4192 TIP3 OH2 OT -0.834000 15.9994 0 + 6267 WT0 4192 TIP3 H1 HT 0.417000 1.0080 0 + 6268 WT0 4192 TIP3 H2 HT 0.417000 1.0080 0 + 6269 WT0 4194 TIP3 OH2 OT -0.834000 15.9994 0 + 6270 WT0 4194 TIP3 H1 HT 0.417000 1.0080 0 + 6271 WT0 4194 TIP3 H2 HT 0.417000 1.0080 0 + 6272 WT0 4198 TIP3 OH2 OT -0.834000 15.9994 0 + 6273 WT0 4198 TIP3 H1 HT 0.417000 1.0080 0 + 6274 WT0 4198 TIP3 H2 HT 0.417000 1.0080 0 + 6275 WT0 4200 TIP3 OH2 OT -0.834000 15.9994 0 + 6276 WT0 4200 TIP3 H1 HT 0.417000 1.0080 0 + 6277 WT0 4200 TIP3 H2 HT 0.417000 1.0080 0 + 6278 WT0 4201 TIP3 OH2 OT -0.834000 15.9994 0 + 6279 WT0 4201 TIP3 H1 HT 0.417000 1.0080 0 + 6280 WT0 4201 TIP3 H2 HT 0.417000 1.0080 0 + 6281 WT0 4202 TIP3 OH2 OT -0.834000 15.9994 0 + 6282 WT0 4202 TIP3 H1 HT 0.417000 1.0080 0 + 6283 WT0 4202 TIP3 H2 HT 0.417000 1.0080 0 + 6284 WT0 4205 TIP3 OH2 OT -0.834000 15.9994 0 + 6285 WT0 4205 TIP3 H1 HT 0.417000 1.0080 0 + 6286 WT0 4205 TIP3 H2 HT 0.417000 1.0080 0 + 6287 WT0 4206 TIP3 OH2 OT -0.834000 15.9994 0 + 6288 WT0 4206 TIP3 H1 HT 0.417000 1.0080 0 + 6289 WT0 4206 TIP3 H2 HT 0.417000 1.0080 0 + 6290 WT0 4207 TIP3 OH2 OT -0.834000 15.9994 0 + 6291 WT0 4207 TIP3 H1 HT 0.417000 1.0080 0 + 6292 WT0 4207 TIP3 H2 HT 0.417000 1.0080 0 + 6293 WT0 4208 TIP3 OH2 OT -0.834000 15.9994 0 + 6294 WT0 4208 TIP3 H1 HT 0.417000 1.0080 0 + 6295 WT0 4208 TIP3 H2 HT 0.417000 1.0080 0 + 6296 WT0 4209 TIP3 OH2 OT -0.834000 15.9994 0 + 6297 WT0 4209 TIP3 H1 HT 0.417000 1.0080 0 + 6298 WT0 4209 TIP3 H2 HT 0.417000 1.0080 0 + 6299 WT0 4210 TIP3 OH2 OT -0.834000 15.9994 0 + 6300 WT0 4210 TIP3 H1 HT 0.417000 1.0080 0 + 6301 WT0 4210 TIP3 H2 HT 0.417000 1.0080 0 + 6302 WT0 4211 TIP3 OH2 OT -0.834000 15.9994 0 + 6303 WT0 4211 TIP3 H1 HT 0.417000 1.0080 0 + 6304 WT0 4211 TIP3 H2 HT 0.417000 1.0080 0 + 6305 WT0 4212 TIP3 OH2 OT -0.834000 15.9994 0 + 6306 WT0 4212 TIP3 H1 HT 0.417000 1.0080 0 + 6307 WT0 4212 TIP3 H2 HT 0.417000 1.0080 0 + 6308 WT0 4213 TIP3 OH2 OT -0.834000 15.9994 0 + 6309 WT0 4213 TIP3 H1 HT 0.417000 1.0080 0 + 6310 WT0 4213 TIP3 H2 HT 0.417000 1.0080 0 + 6311 WT0 4215 TIP3 OH2 OT -0.834000 15.9994 0 + 6312 WT0 4215 TIP3 H1 HT 0.417000 1.0080 0 + 6313 WT0 4215 TIP3 H2 HT 0.417000 1.0080 0 + 6314 WT0 4216 TIP3 OH2 OT -0.834000 15.9994 0 + 6315 WT0 4216 TIP3 H1 HT 0.417000 1.0080 0 + 6316 WT0 4216 TIP3 H2 HT 0.417000 1.0080 0 + 6317 WT0 4218 TIP3 OH2 OT -0.834000 15.9994 0 + 6318 WT0 4218 TIP3 H1 HT 0.417000 1.0080 0 + 6319 WT0 4218 TIP3 H2 HT 0.417000 1.0080 0 + 6320 WT0 4219 TIP3 OH2 OT -0.834000 15.9994 0 + 6321 WT0 4219 TIP3 H1 HT 0.417000 1.0080 0 + 6322 WT0 4219 TIP3 H2 HT 0.417000 1.0080 0 + 6323 WT0 4224 TIP3 OH2 OT -0.834000 15.9994 0 + 6324 WT0 4224 TIP3 H1 HT 0.417000 1.0080 0 + 6325 WT0 4224 TIP3 H2 HT 0.417000 1.0080 0 + 6326 WT0 4225 TIP3 OH2 OT -0.834000 15.9994 0 + 6327 WT0 4225 TIP3 H1 HT 0.417000 1.0080 0 + 6328 WT0 4225 TIP3 H2 HT 0.417000 1.0080 0 + 6329 WT0 4226 TIP3 OH2 OT -0.834000 15.9994 0 + 6330 WT0 4226 TIP3 H1 HT 0.417000 1.0080 0 + 6331 WT0 4226 TIP3 H2 HT 0.417000 1.0080 0 + 6332 WT0 4227 TIP3 OH2 OT -0.834000 15.9994 0 + 6333 WT0 4227 TIP3 H1 HT 0.417000 1.0080 0 + 6334 WT0 4227 TIP3 H2 HT 0.417000 1.0080 0 + 6335 WT0 4228 TIP3 OH2 OT -0.834000 15.9994 0 + 6336 WT0 4228 TIP3 H1 HT 0.417000 1.0080 0 + 6337 WT0 4228 TIP3 H2 HT 0.417000 1.0080 0 + 6338 WT0 4229 TIP3 OH2 OT -0.834000 15.9994 0 + 6339 WT0 4229 TIP3 H1 HT 0.417000 1.0080 0 + 6340 WT0 4229 TIP3 H2 HT 0.417000 1.0080 0 + 6341 WT0 4230 TIP3 OH2 OT -0.834000 15.9994 0 + 6342 WT0 4230 TIP3 H1 HT 0.417000 1.0080 0 + 6343 WT0 4230 TIP3 H2 HT 0.417000 1.0080 0 + 6344 WT0 4232 TIP3 OH2 OT -0.834000 15.9994 0 + 6345 WT0 4232 TIP3 H1 HT 0.417000 1.0080 0 + 6346 WT0 4232 TIP3 H2 HT 0.417000 1.0080 0 + 6347 WT0 4233 TIP3 OH2 OT -0.834000 15.9994 0 + 6348 WT0 4233 TIP3 H1 HT 0.417000 1.0080 0 + 6349 WT0 4233 TIP3 H2 HT 0.417000 1.0080 0 + 6350 WT0 4234 TIP3 OH2 OT -0.834000 15.9994 0 + 6351 WT0 4234 TIP3 H1 HT 0.417000 1.0080 0 + 6352 WT0 4234 TIP3 H2 HT 0.417000 1.0080 0 + 6353 WT0 4235 TIP3 OH2 OT -0.834000 15.9994 0 + 6354 WT0 4235 TIP3 H1 HT 0.417000 1.0080 0 + 6355 WT0 4235 TIP3 H2 HT 0.417000 1.0080 0 + 6356 WT0 4236 TIP3 OH2 OT -0.834000 15.9994 0 + 6357 WT0 4236 TIP3 H1 HT 0.417000 1.0080 0 + 6358 WT0 4236 TIP3 H2 HT 0.417000 1.0080 0 + 6359 WT0 4238 TIP3 OH2 OT -0.834000 15.9994 0 + 6360 WT0 4238 TIP3 H1 HT 0.417000 1.0080 0 + 6361 WT0 4238 TIP3 H2 HT 0.417000 1.0080 0 + 6362 WT0 4243 TIP3 OH2 OT -0.834000 15.9994 0 + 6363 WT0 4243 TIP3 H1 HT 0.417000 1.0080 0 + 6364 WT0 4243 TIP3 H2 HT 0.417000 1.0080 0 + 6365 WT0 4245 TIP3 OH2 OT -0.834000 15.9994 0 + 6366 WT0 4245 TIP3 H1 HT 0.417000 1.0080 0 + 6367 WT0 4245 TIP3 H2 HT 0.417000 1.0080 0 + 6368 WT0 4247 TIP3 OH2 OT -0.834000 15.9994 0 + 6369 WT0 4247 TIP3 H1 HT 0.417000 1.0080 0 + 6370 WT0 4247 TIP3 H2 HT 0.417000 1.0080 0 + 6371 WT0 4248 TIP3 OH2 OT -0.834000 15.9994 0 + 6372 WT0 4248 TIP3 H1 HT 0.417000 1.0080 0 + 6373 WT0 4248 TIP3 H2 HT 0.417000 1.0080 0 + 6374 WT0 4249 TIP3 OH2 OT -0.834000 15.9994 0 + 6375 WT0 4249 TIP3 H1 HT 0.417000 1.0080 0 + 6376 WT0 4249 TIP3 H2 HT 0.417000 1.0080 0 + 6377 WT0 4251 TIP3 OH2 OT -0.834000 15.9994 0 + 6378 WT0 4251 TIP3 H1 HT 0.417000 1.0080 0 + 6379 WT0 4251 TIP3 H2 HT 0.417000 1.0080 0 + 6380 WT0 4255 TIP3 OH2 OT -0.834000 15.9994 0 + 6381 WT0 4255 TIP3 H1 HT 0.417000 1.0080 0 + 6382 WT0 4255 TIP3 H2 HT 0.417000 1.0080 0 + 6383 WT0 4256 TIP3 OH2 OT -0.834000 15.9994 0 + 6384 WT0 4256 TIP3 H1 HT 0.417000 1.0080 0 + 6385 WT0 4256 TIP3 H2 HT 0.417000 1.0080 0 + 6386 WT0 4257 TIP3 OH2 OT -0.834000 15.9994 0 + 6387 WT0 4257 TIP3 H1 HT 0.417000 1.0080 0 + 6388 WT0 4257 TIP3 H2 HT 0.417000 1.0080 0 + 6389 WT0 4260 TIP3 OH2 OT -0.834000 15.9994 0 + 6390 WT0 4260 TIP3 H1 HT 0.417000 1.0080 0 + 6391 WT0 4260 TIP3 H2 HT 0.417000 1.0080 0 + 6392 WT0 4262 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6415 WT0 4277 TIP3 H2 HT 0.417000 1.0080 0 + 6416 WT0 4278 TIP3 OH2 OT -0.834000 15.9994 0 + 6417 WT0 4278 TIP3 H1 HT 0.417000 1.0080 0 + 6418 WT0 4278 TIP3 H2 HT 0.417000 1.0080 0 + 6419 WT0 4282 TIP3 OH2 OT -0.834000 15.9994 0 + 6420 WT0 4282 TIP3 H1 HT 0.417000 1.0080 0 + 6421 WT0 4282 TIP3 H2 HT 0.417000 1.0080 0 + 6422 WT0 4283 TIP3 OH2 OT -0.834000 15.9994 0 + 6423 WT0 4283 TIP3 H1 HT 0.417000 1.0080 0 + 6424 WT0 4283 TIP3 H2 HT 0.417000 1.0080 0 + 6425 WT0 4287 TIP3 OH2 OT -0.834000 15.9994 0 + 6426 WT0 4287 TIP3 H1 HT 0.417000 1.0080 0 + 6427 WT0 4287 TIP3 H2 HT 0.417000 1.0080 0 + 6428 WT0 4288 TIP3 OH2 OT -0.834000 15.9994 0 + 6429 WT0 4288 TIP3 H1 HT 0.417000 1.0080 0 + 6430 WT0 4288 TIP3 H2 HT 0.417000 1.0080 0 + 6431 WT0 4291 TIP3 OH2 OT -0.834000 15.9994 0 + 6432 WT0 4291 TIP3 H1 HT 0.417000 1.0080 0 + 6433 WT0 4291 TIP3 H2 HT 0.417000 1.0080 0 + 6434 WT0 4292 TIP3 OH2 OT -0.834000 15.9994 0 + 6435 WT0 4292 TIP3 H1 HT 0.417000 1.0080 0 + 6436 WT0 4292 TIP3 H2 HT 0.417000 1.0080 0 + 6437 WT0 4293 TIP3 OH2 OT -0.834000 15.9994 0 + 6438 WT0 4293 TIP3 H1 HT 0.417000 1.0080 0 + 6439 WT0 4293 TIP3 H2 HT 0.417000 1.0080 0 + 6440 WT0 4294 TIP3 OH2 OT -0.834000 15.9994 0 + 6441 WT0 4294 TIP3 H1 HT 0.417000 1.0080 0 + 6442 WT0 4294 TIP3 H2 HT 0.417000 1.0080 0 + 6443 WT0 4295 TIP3 OH2 OT -0.834000 15.9994 0 + 6444 WT0 4295 TIP3 H1 HT 0.417000 1.0080 0 + 6445 WT0 4295 TIP3 H2 HT 0.417000 1.0080 0 + 6446 WT0 4296 TIP3 OH2 OT -0.834000 15.9994 0 + 6447 WT0 4296 TIP3 H1 HT 0.417000 1.0080 0 + 6448 WT0 4296 TIP3 H2 HT 0.417000 1.0080 0 + 6449 WT0 4297 TIP3 OH2 OT -0.834000 15.9994 0 + 6450 WT0 4297 TIP3 H1 HT 0.417000 1.0080 0 + 6451 WT0 4297 TIP3 H2 HT 0.417000 1.0080 0 + 6452 WT0 4298 TIP3 OH2 OT -0.834000 15.9994 0 + 6453 WT0 4298 TIP3 H1 HT 0.417000 1.0080 0 + 6454 WT0 4298 TIP3 H2 HT 0.417000 1.0080 0 + 6455 WT0 4304 TIP3 OH2 OT -0.834000 15.9994 0 + 6456 WT0 4304 TIP3 H1 HT 0.417000 1.0080 0 + 6457 WT0 4304 TIP3 H2 HT 0.417000 1.0080 0 + 6458 WT0 4306 TIP3 OH2 OT -0.834000 15.9994 0 + 6459 WT0 4306 TIP3 H1 HT 0.417000 1.0080 0 + 6460 WT0 4306 TIP3 H2 HT 0.417000 1.0080 0 + 6461 WT0 4307 TIP3 OH2 OT -0.834000 15.9994 0 + 6462 WT0 4307 TIP3 H1 HT 0.417000 1.0080 0 + 6463 WT0 4307 TIP3 H2 HT 0.417000 1.0080 0 + 6464 WT0 4311 TIP3 OH2 OT -0.834000 15.9994 0 + 6465 WT0 4311 TIP3 H1 HT 0.417000 1.0080 0 + 6466 WT0 4311 TIP3 H2 HT 0.417000 1.0080 0 + 6467 WT0 4313 TIP3 OH2 OT -0.834000 15.9994 0 + 6468 WT0 4313 TIP3 H1 HT 0.417000 1.0080 0 + 6469 WT0 4313 TIP3 H2 HT 0.417000 1.0080 0 + 6470 WT0 4319 TIP3 OH2 OT -0.834000 15.9994 0 + 6471 WT0 4319 TIP3 H1 HT 0.417000 1.0080 0 + 6472 WT0 4319 TIP3 H2 HT 0.417000 1.0080 0 + 6473 WT0 4321 TIP3 OH2 OT -0.834000 15.9994 0 + 6474 WT0 4321 TIP3 H1 HT 0.417000 1.0080 0 + 6475 WT0 4321 TIP3 H2 HT 0.417000 1.0080 0 + 6476 WT0 4328 TIP3 OH2 OT -0.834000 15.9994 0 + 6477 WT0 4328 TIP3 H1 HT 0.417000 1.0080 0 + 6478 WT0 4328 TIP3 H2 HT 0.417000 1.0080 0 + 6479 WT0 4336 TIP3 OH2 OT 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4374 TIP3 H1 HT 0.417000 1.0080 0 + 6502 WT0 4374 TIP3 H2 HT 0.417000 1.0080 0 + 6503 WT0 4379 TIP3 OH2 OT -0.834000 15.9994 0 + 6504 WT0 4379 TIP3 H1 HT 0.417000 1.0080 0 + 6505 WT0 4379 TIP3 H2 HT 0.417000 1.0080 0 + 6506 WT0 4380 TIP3 OH2 OT -0.834000 15.9994 0 + 6507 WT0 4380 TIP3 H1 HT 0.417000 1.0080 0 + 6508 WT0 4380 TIP3 H2 HT 0.417000 1.0080 0 + 6509 WT0 4382 TIP3 OH2 OT -0.834000 15.9994 0 + 6510 WT0 4382 TIP3 H1 HT 0.417000 1.0080 0 + 6511 WT0 4382 TIP3 H2 HT 0.417000 1.0080 0 + 6512 WT0 4394 TIP3 OH2 OT -0.834000 15.9994 0 + 6513 WT0 4394 TIP3 H1 HT 0.417000 1.0080 0 + 6514 WT0 4394 TIP3 H2 HT 0.417000 1.0080 0 + 6515 WT0 4396 TIP3 OH2 OT -0.834000 15.9994 0 + 6516 WT0 4396 TIP3 H1 HT 0.417000 1.0080 0 + 6517 WT0 4396 TIP3 H2 HT 0.417000 1.0080 0 + 6518 WT0 4401 TIP3 OH2 OT -0.834000 15.9994 0 + 6519 WT0 4401 TIP3 H1 HT 0.417000 1.0080 0 + 6520 WT0 4401 TIP3 H2 HT 0.417000 1.0080 0 + 6521 WT0 4404 TIP3 OH2 OT -0.834000 15.9994 0 + 6522 WT0 4404 TIP3 H1 HT 0.417000 1.0080 0 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TIP3 OH2 OT -0.834000 15.9994 0 + 6567 WT0 4453 TIP3 H1 HT 0.417000 1.0080 0 + 6568 WT0 4453 TIP3 H2 HT 0.417000 1.0080 0 + 6569 WT0 4455 TIP3 OH2 OT -0.834000 15.9994 0 + 6570 WT0 4455 TIP3 H1 HT 0.417000 1.0080 0 + 6571 WT0 4455 TIP3 H2 HT 0.417000 1.0080 0 + 6572 WT0 4456 TIP3 OH2 OT -0.834000 15.9994 0 + 6573 WT0 4456 TIP3 H1 HT 0.417000 1.0080 0 + 6574 WT0 4456 TIP3 H2 HT 0.417000 1.0080 0 + 6575 WT0 4457 TIP3 OH2 OT -0.834000 15.9994 0 + 6576 WT0 4457 TIP3 H1 HT 0.417000 1.0080 0 + 6577 WT0 4457 TIP3 H2 HT 0.417000 1.0080 0 + 6578 WT0 4459 TIP3 OH2 OT -0.834000 15.9994 0 + 6579 WT0 4459 TIP3 H1 HT 0.417000 1.0080 0 + 6580 WT0 4459 TIP3 H2 HT 0.417000 1.0080 0 + 6581 WT0 4460 TIP3 OH2 OT -0.834000 15.9994 0 + 6582 WT0 4460 TIP3 H1 HT 0.417000 1.0080 0 + 6583 WT0 4460 TIP3 H2 HT 0.417000 1.0080 0 + 6584 WT0 4461 TIP3 OH2 OT -0.834000 15.9994 0 + 6585 WT0 4461 TIP3 H1 HT 0.417000 1.0080 0 + 6586 WT0 4461 TIP3 H2 HT 0.417000 1.0080 0 + 6587 WT0 4462 TIP3 OH2 OT -0.834000 15.9994 0 + 6588 WT0 4462 TIP3 H1 HT 0.417000 1.0080 0 + 6589 WT0 4462 TIP3 H2 HT 0.417000 1.0080 0 + 6590 WT0 4463 TIP3 OH2 OT -0.834000 15.9994 0 + 6591 WT0 4463 TIP3 H1 HT 0.417000 1.0080 0 + 6592 WT0 4463 TIP3 H2 HT 0.417000 1.0080 0 + 6593 WT0 4465 TIP3 OH2 OT -0.834000 15.9994 0 + 6594 WT0 4465 TIP3 H1 HT 0.417000 1.0080 0 + 6595 WT0 4465 TIP3 H2 HT 0.417000 1.0080 0 + 6596 WT0 4466 TIP3 OH2 OT -0.834000 15.9994 0 + 6597 WT0 4466 TIP3 H1 HT 0.417000 1.0080 0 + 6598 WT0 4466 TIP3 H2 HT 0.417000 1.0080 0 + 6599 WT0 4469 TIP3 OH2 OT -0.834000 15.9994 0 + 6600 WT0 4469 TIP3 H1 HT 0.417000 1.0080 0 + 6601 WT0 4469 TIP3 H2 HT 0.417000 1.0080 0 + 6602 WT0 4470 TIP3 OH2 OT -0.834000 15.9994 0 + 6603 WT0 4470 TIP3 H1 HT 0.417000 1.0080 0 + 6604 WT0 4470 TIP3 H2 HT 0.417000 1.0080 0 + 6605 WT0 4473 TIP3 OH2 OT -0.834000 15.9994 0 + 6606 WT0 4473 TIP3 H1 HT 0.417000 1.0080 0 + 6607 WT0 4473 TIP3 H2 HT 0.417000 1.0080 0 + 6608 WT0 4474 TIP3 OH2 OT -0.834000 15.9994 0 + 6609 WT0 4474 TIP3 H1 HT 0.417000 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4505 TIP3 OH2 OT -0.834000 15.9994 0 + 6654 WT0 4505 TIP3 H1 HT 0.417000 1.0080 0 + 6655 WT0 4505 TIP3 H2 HT 0.417000 1.0080 0 + 6656 WT0 4506 TIP3 OH2 OT -0.834000 15.9994 0 + 6657 WT0 4506 TIP3 H1 HT 0.417000 1.0080 0 + 6658 WT0 4506 TIP3 H2 HT 0.417000 1.0080 0 + 6659 WT0 4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 + 6664 WT0 4508 TIP3 H2 HT 0.417000 1.0080 0 + 6665 WT0 4509 TIP3 OH2 OT -0.834000 15.9994 0 + 6666 WT0 4509 TIP3 H1 HT 0.417000 1.0080 0 + 6667 WT0 4509 TIP3 H2 HT 0.417000 1.0080 0 + 6668 WT0 4513 TIP3 OH2 OT -0.834000 15.9994 0 + 6669 WT0 4513 TIP3 H1 HT 0.417000 1.0080 0 + 6670 WT0 4513 TIP3 H2 HT 0.417000 1.0080 0 + 6671 WT0 4515 TIP3 OH2 OT -0.834000 15.9994 0 + 6672 WT0 4515 TIP3 H1 HT 0.417000 1.0080 0 + 6673 WT0 4515 TIP3 H2 HT 0.417000 1.0080 0 + 6674 WT0 4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 0 + 6681 WT0 4518 TIP3 H1 HT 0.417000 1.0080 0 + 6682 WT0 4518 TIP3 H2 HT 0.417000 1.0080 0 + 6683 WT0 4519 TIP3 OH2 OT -0.834000 15.9994 0 + 6684 WT0 4519 TIP3 H1 HT 0.417000 1.0080 0 + 6685 WT0 4519 TIP3 H2 HT 0.417000 1.0080 0 + 6686 WT0 4520 TIP3 OH2 OT -0.834000 15.9994 0 + 6687 WT0 4520 TIP3 H1 HT 0.417000 1.0080 0 + 6688 WT0 4520 TIP3 H2 HT 0.417000 1.0080 0 + 6689 WT0 4522 TIP3 OH2 OT -0.834000 15.9994 0 + 6690 WT0 4522 TIP3 H1 HT 0.417000 1.0080 0 + 6691 WT0 4522 TIP3 H2 HT 0.417000 1.0080 0 + 6692 WT0 4523 TIP3 OH2 OT -0.834000 15.9994 0 + 6693 WT0 4523 TIP3 H1 HT 0.417000 1.0080 0 + 6694 WT0 4523 TIP3 H2 HT 0.417000 1.0080 0 + 6695 WT0 4525 TIP3 OH2 OT -0.834000 15.9994 0 + 6696 WT0 4525 TIP3 H1 HT 0.417000 1.0080 0 + 6697 WT0 4525 TIP3 H2 HT 0.417000 1.0080 0 + 6698 WT0 4526 TIP3 OH2 OT -0.834000 15.9994 0 + 6699 WT0 4526 TIP3 H1 HT 0.417000 1.0080 0 + 6700 WT0 4526 TIP3 H2 HT 0.417000 1.0080 0 + 6701 WT0 4527 TIP3 OH2 OT -0.834000 15.9994 0 + 6702 WT0 4527 TIP3 H1 HT 0.417000 1.0080 0 + 6703 WT0 4527 TIP3 H2 HT 0.417000 1.0080 0 + 6704 WT0 4528 TIP3 OH2 OT -0.834000 15.9994 0 + 6705 WT0 4528 TIP3 H1 HT 0.417000 1.0080 0 + 6706 WT0 4528 TIP3 H2 HT 0.417000 1.0080 0 + 6707 WT0 4529 TIP3 OH2 OT -0.834000 15.9994 0 + 6708 WT0 4529 TIP3 H1 HT 0.417000 1.0080 0 + 6709 WT0 4529 TIP3 H2 HT 0.417000 1.0080 0 + 6710 WT0 4531 TIP3 OH2 OT -0.834000 15.9994 0 + 6711 WT0 4531 TIP3 H1 HT 0.417000 1.0080 0 + 6712 WT0 4531 TIP3 H2 HT 0.417000 1.0080 0 + 6713 WT0 4532 TIP3 OH2 OT -0.834000 15.9994 0 + 6714 WT0 4532 TIP3 H1 HT 0.417000 1.0080 0 + 6715 WT0 4532 TIP3 H2 HT 0.417000 1.0080 0 + 6716 WT0 4536 TIP3 OH2 OT -0.834000 15.9994 0 + 6717 WT0 4536 TIP3 H1 HT 0.417000 1.0080 0 + 6718 WT0 4536 TIP3 H2 HT 0.417000 1.0080 0 + 6719 WT0 4537 TIP3 OH2 OT -0.834000 15.9994 0 + 6720 WT0 4537 TIP3 H1 HT 0.417000 1.0080 0 + 6721 WT0 4537 TIP3 H2 HT 0.417000 1.0080 0 + 6722 WT0 4538 TIP3 OH2 OT -0.834000 15.9994 0 + 6723 WT0 4538 TIP3 H1 HT 0.417000 1.0080 0 + 6724 WT0 4538 TIP3 H2 HT 0.417000 1.0080 0 + 6725 WT0 4540 TIP3 OH2 OT -0.834000 15.9994 0 + 6726 WT0 4540 TIP3 H1 HT 0.417000 1.0080 0 + 6727 WT0 4540 TIP3 H2 HT 0.417000 1.0080 0 + 6728 WT0 4541 TIP3 OH2 OT -0.834000 15.9994 0 + 6729 WT0 4541 TIP3 H1 HT 0.417000 1.0080 0 + 6730 WT0 4541 TIP3 H2 HT 0.417000 1.0080 0 + 6731 WT0 4543 TIP3 OH2 OT -0.834000 15.9994 0 + 6732 WT0 4543 TIP3 H1 HT 0.417000 1.0080 0 + 6733 WT0 4543 TIP3 H2 HT 0.417000 1.0080 0 + 6734 WT0 4544 TIP3 OH2 OT -0.834000 15.9994 0 + 6735 WT0 4544 TIP3 H1 HT 0.417000 1.0080 0 + 6736 WT0 4544 TIP3 H2 HT 0.417000 1.0080 0 + 6737 WT0 4545 TIP3 OH2 OT -0.834000 15.9994 0 + 6738 WT0 4545 TIP3 H1 HT 0.417000 1.0080 0 + 6739 WT0 4545 TIP3 H2 HT 0.417000 1.0080 0 + 6740 WT0 4546 TIP3 OH2 OT -0.834000 15.9994 0 + 6741 WT0 4546 TIP3 H1 HT 0.417000 1.0080 0 + 6742 WT0 4546 TIP3 H2 HT 0.417000 1.0080 0 + 6743 WT0 4547 TIP3 OH2 OT -0.834000 15.9994 0 + 6744 WT0 4547 TIP3 H1 HT 0.417000 1.0080 0 + 6745 WT0 4547 TIP3 H2 HT 0.417000 1.0080 0 + 6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 + 6754 WT0 4550 TIP3 H2 HT 0.417000 1.0080 0 + 6755 WT0 4551 TIP3 OH2 OT -0.834000 15.9994 0 + 6756 WT0 4551 TIP3 H1 HT 0.417000 1.0080 0 + 6757 WT0 4551 TIP3 H2 HT 0.417000 1.0080 0 + 6758 WT0 4553 TIP3 OH2 OT -0.834000 15.9994 0 + 6759 WT0 4553 TIP3 H1 HT 0.417000 1.0080 0 + 6760 WT0 4553 TIP3 H2 HT 0.417000 1.0080 0 + 6761 WT0 4558 TIP3 OH2 OT 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4568 TIP3 H1 HT 0.417000 1.0080 0 + 6784 WT0 4568 TIP3 H2 HT 0.417000 1.0080 0 + 6785 WT0 4569 TIP3 OH2 OT -0.834000 15.9994 0 + 6786 WT0 4569 TIP3 H1 HT 0.417000 1.0080 0 + 6787 WT0 4569 TIP3 H2 HT 0.417000 1.0080 0 + 6788 WT0 4570 TIP3 OH2 OT -0.834000 15.9994 0 + 6789 WT0 4570 TIP3 H1 HT 0.417000 1.0080 0 + 6790 WT0 4570 TIP3 H2 HT 0.417000 1.0080 0 + 6791 WT0 4571 TIP3 OH2 OT -0.834000 15.9994 0 + 6792 WT0 4571 TIP3 H1 HT 0.417000 1.0080 0 + 6793 WT0 4571 TIP3 H2 HT 0.417000 1.0080 0 + 6794 WT0 4572 TIP3 OH2 OT -0.834000 15.9994 0 + 6795 WT0 4572 TIP3 H1 HT 0.417000 1.0080 0 + 6796 WT0 4572 TIP3 H2 HT 0.417000 1.0080 0 + 6797 WT0 4573 TIP3 OH2 OT -0.834000 15.9994 0 + 6798 WT0 4573 TIP3 H1 HT 0.417000 1.0080 0 + 6799 WT0 4573 TIP3 H2 HT 0.417000 1.0080 0 + 6800 WT0 4574 TIP3 OH2 OT -0.834000 15.9994 0 + 6801 WT0 4574 TIP3 H1 HT 0.417000 1.0080 0 + 6802 WT0 4574 TIP3 H2 HT 0.417000 1.0080 0 + 6803 WT0 4578 TIP3 OH2 OT -0.834000 15.9994 0 + 6804 WT0 4578 TIP3 H1 HT 0.417000 1.0080 0 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6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT 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5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT 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6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 1.0080 0 + 8872 WT0 6230 TIP3 H2 HT 0.417000 1.0080 0 + 8873 WT0 6231 TIP3 OH2 OT -0.834000 15.9994 0 + 8874 WT0 6231 TIP3 H1 HT 0.417000 1.0080 0 + 8875 WT0 6231 TIP3 H2 HT 0.417000 1.0080 0 + 8876 WT0 6233 TIP3 OH2 OT -0.834000 15.9994 0 + 8877 WT0 6233 TIP3 H1 HT 0.417000 1.0080 0 + 8878 WT0 6233 TIP3 H2 HT 0.417000 1.0080 0 + 8879 WT0 6238 TIP3 OH2 OT -0.834000 15.9994 0 + 8880 WT0 6238 TIP3 H1 HT 0.417000 1.0080 0 + 8881 WT0 6238 TIP3 H2 HT 0.417000 1.0080 0 + 8882 WT0 6240 TIP3 OH2 OT -0.834000 15.9994 0 + 8883 WT0 6240 TIP3 H1 HT 0.417000 1.0080 0 + 8884 WT0 6240 TIP3 H2 HT 0.417000 1.0080 0 + 8885 WT0 6241 TIP3 OH2 OT -0.834000 15.9994 0 + 8886 WT0 6241 TIP3 H1 HT 0.417000 1.0080 0 + 8887 WT0 6241 TIP3 H2 HT 0.417000 1.0080 0 + 8888 WT0 6242 TIP3 OH2 OT -0.834000 15.9994 0 + 8889 WT0 6242 TIP3 H1 HT 0.417000 1.0080 0 + 8890 WT0 6242 TIP3 H2 HT 0.417000 1.0080 0 + 8891 WT0 6243 TIP3 OH2 OT -0.834000 15.9994 0 + 8892 WT0 6243 TIP3 H1 HT 0.417000 1.0080 0 + 8893 WT0 6243 TIP3 H2 HT 0.417000 1.0080 0 + 8894 WT0 6245 TIP3 OH2 OT -0.834000 15.9994 0 + 8895 WT0 6245 TIP3 H1 HT 0.417000 1.0080 0 + 8896 WT0 6245 TIP3 H2 HT 0.417000 1.0080 0 + 8897 WT0 6246 TIP3 OH2 OT -0.834000 15.9994 0 + 8898 WT0 6246 TIP3 H1 HT 0.417000 1.0080 0 + 8899 WT0 6246 TIP3 H2 HT 0.417000 1.0080 0 + 8900 WT0 6247 TIP3 OH2 OT -0.834000 15.9994 0 + 8901 WT0 6247 TIP3 H1 HT 0.417000 1.0080 0 + 8902 WT0 6247 TIP3 H2 HT 0.417000 1.0080 0 + 8903 WT0 6249 TIP3 OH2 OT -0.834000 15.9994 0 + 8904 WT0 6249 TIP3 H1 HT 0.417000 1.0080 0 + 8905 WT0 6249 TIP3 H2 HT 0.417000 1.0080 0 + 8906 WT0 6250 TIP3 OH2 OT -0.834000 15.9994 0 + 8907 WT0 6250 TIP3 H1 HT 0.417000 1.0080 0 + 8908 WT0 6250 TIP3 H2 HT 0.417000 1.0080 0 + 8909 WT0 6252 TIP3 OH2 OT -0.834000 15.9994 0 + 8910 WT0 6252 TIP3 H1 HT 0.417000 1.0080 0 + 8911 WT0 6252 TIP3 H2 HT 0.417000 1.0080 0 + 8912 WT0 6253 TIP3 OH2 OT -0.834000 15.9994 0 + 8913 WT0 6253 TIP3 H1 HT 0.417000 1.0080 0 + 8914 WT0 6253 TIP3 H2 HT 0.417000 1.0080 0 + 8915 WT0 6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT -0.834000 15.9994 0 + 8988 WT0 6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT -0.834000 15.9994 0 + 9024 WT0 6315 TIP3 H1 HT 0.417000 1.0080 0 + 9025 WT0 6315 TIP3 H2 HT 0.417000 1.0080 0 + 9026 WT0 6316 TIP3 OH2 OT -0.834000 15.9994 0 + 9027 WT0 6316 TIP3 H1 HT 0.417000 1.0080 0 + 9028 WT0 6316 TIP3 H2 HT 0.417000 1.0080 0 + 9029 WT0 6318 TIP3 OH2 OT -0.834000 15.9994 0 + 9030 WT0 6318 TIP3 H1 HT 0.417000 1.0080 0 + 9031 WT0 6318 TIP3 H2 HT 0.417000 1.0080 0 + 9032 WT0 6319 TIP3 OH2 OT -0.834000 15.9994 0 + 9033 WT0 6319 TIP3 H1 HT 0.417000 1.0080 0 + 9034 WT0 6319 TIP3 H2 HT 0.417000 1.0080 0 + 9035 WT0 6323 TIP3 OH2 OT -0.834000 15.9994 0 + 9036 WT0 6323 TIP3 H1 HT 0.417000 1.0080 0 + 9037 WT0 6323 TIP3 H2 HT 0.417000 1.0080 0 + 9038 WT0 6324 TIP3 OH2 OT -0.834000 15.9994 0 + 9039 WT0 6324 TIP3 H1 HT 0.417000 1.0080 0 + 9040 WT0 6324 TIP3 H2 HT 0.417000 1.0080 0 + 9041 WT0 6326 TIP3 OH2 OT -0.834000 15.9994 0 + 9042 WT0 6326 TIP3 H1 HT 0.417000 1.0080 0 + 9043 WT0 6326 TIP3 H2 HT 0.417000 1.0080 0 + 9044 WT0 6327 TIP3 OH2 OT -0.834000 15.9994 0 + 9045 WT0 6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 + 9082 WT0 6348 TIP3 H2 HT 0.417000 1.0080 0 + 9083 WT0 6351 TIP3 OH2 OT -0.834000 15.9994 0 + 9084 WT0 6351 TIP3 H1 HT 0.417000 1.0080 0 + 9085 WT0 6351 TIP3 H2 HT 0.417000 1.0080 0 + 9086 WT0 6355 TIP3 OH2 OT -0.834000 15.9994 0 + 9087 WT0 6355 TIP3 H1 HT 0.417000 1.0080 0 + 9088 WT0 6355 TIP3 H2 HT 0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT -0.834000 15.9994 0 + 9159 WT0 6404 TIP3 H1 HT 0.417000 1.0080 0 + 9160 WT0 6404 TIP3 H2 HT 0.417000 1.0080 0 + 9161 WT0 6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT 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6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 1.0080 0 + 11105 WT0 8940 TIP3 OH2 OT -0.834000 15.9994 0 + 11106 WT0 8940 TIP3 H1 HT 0.417000 1.0080 0 + 11107 WT0 8940 TIP3 H2 HT 0.417000 1.0080 0 + 11108 WT0 8949 TIP3 OH2 OT -0.834000 15.9994 0 + 11109 WT0 8949 TIP3 H1 HT 0.417000 1.0080 0 + 11110 WT0 8949 TIP3 H2 HT 0.417000 1.0080 0 + 11111 WT0 8950 TIP3 OH2 OT -0.834000 15.9994 0 + 11112 WT0 8950 TIP3 H1 HT 0.417000 1.0080 0 + 11113 WT0 8950 TIP3 H2 HT 0.417000 1.0080 0 + 11114 WT0 8952 TIP3 OH2 OT -0.834000 15.9994 0 + 11115 WT0 8952 TIP3 H1 HT 0.417000 1.0080 0 + 11116 WT0 8952 TIP3 H2 HT 0.417000 1.0080 0 + 11117 WT0 8954 TIP3 OH2 OT -0.834000 15.9994 0 + 11118 WT0 8954 TIP3 H1 HT 0.417000 1.0080 0 + 11119 WT0 8954 TIP3 H2 HT 0.417000 1.0080 0 + 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b/adaptivemd/input/e3s2_e1s1p0f1/input.coor new file mode 100644 index 0000000..7666d2b Binary files /dev/null and b/adaptivemd/input/e3s2_e1s1p0f1/input.coor differ diff --git a/adaptivemd/input/e3s2_e1s1p0f1/input.xsc b/adaptivemd/input/e3s2_e1s1p0f1/input.xsc new file mode 100644 index 0000000..5c14d47 --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/input.xsc @@ -0,0 +1,3 @@ +# NAMD extended system configuration restart file generated by MoleculeKit +#$LABELS step a_x a_y a_z b_x b_y b_z c_x c_y c_z o_x o_y o_z +50000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 \ No newline at end of file diff --git a/adaptivemd/input/e3s2_e1s1p0f1/job.sh b/adaptivemd/input/e3s2_e1s1p0f1/job.sh new file mode 100755 index 0000000..9a06967 --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/job.sh @@ -0,0 +1,10 @@ +#!/bin/bash + + +trap "touch /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e3s2_e1s1p0f1/jobqueues.done" EXIT SIGTERM + +export CUDA_VISIBLE_DEVICES=0 + +cd /home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e3s2_e1s1p0f1 +/home/sdoerr/Work/htmd/tutorials/adaptivemd/input/e3s2_e1s1p0f1/run.sh +mv *.xtc /home/sdoerr/Work/htmd/tutorials/adaptivemd/data/e3s2_e1s1p0f1 \ No newline at end of file diff --git a/adaptivemd/input/e3s2_e1s1p0f1/jobqueues.done b/adaptivemd/input/e3s2_e1s1p0f1/jobqueues.done new file mode 100644 index 0000000..e69de29 diff --git a/adaptivemd/input/e3s2_e1s1p0f1/log.txt b/adaptivemd/input/e3s2_e1s1p0f1/log.txt new file mode 100644 index 0000000..0572512 --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/log.txt @@ -0,0 +1,230 @@ +WARNING: "acemd3" is depricated and will be removed in a future release! Use "acemd" instead +# +# ACEMD version 3.7.2 +# +# Copyright (C) 2017-2023 Acellera (www.acellera.com) +# +# By using ACEMD, you accept the terms and conditions of the ACEMD licence +# Check the licence by running "acemd --licence" +# More details: https://software.acellera.com/acemd/licence.html +# +# When publishing, please cite: +# ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale +# M. J. Harvey, G. Giupponi and G. De Fabritiis, +# J Chem. Theory. Comput. 2009 5(6), pp1632-1639 +# DOI: 10.1021/ct9000685 +# +# Arguments: +# input: input +# platform: +# device: +# ncpus: +# precision: mixed +# +# Licence: +# Product: ACEMD 3.0 +# Check floating licence: +# ACELLERA_LICENCE_SERVER -- not defined +# ACELLERA_LICENSE_SERVER -- not defined +# Check node-locked licence: +# ACELLERA_LICENCE_FILE -- not defined +# ACELLERA_LICENSE_FILE -- not defined +# /opt/acellera/licence.dat -- DENIED (Unable to locate target file) +# /opt/acellera/license.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/licence.dat -- DENIED (Unable to locate target file) +# /home/sdoerr/.acellera/license.dat -- DENIED (Unable to locate target file) +# +# WARNING: This ACEMD version expires in 27 days! +# +# Initialize Python +# Version: 3.10.13 +# Internal modules: /home/sdoerr/miniforge3/envs/htmd/lib/acemd/python +# +# Parse input +# File name: input +# Format: old +# WARNING: Deprecated keyword "thermostattemp" is replaced with "thermostattemperature" +# WARNING: Deprecated keyword "switchdist" is replaced with "switchdistance" +# +# Parse force field and topology files +# Force field: CHARMM +# PRM file: parameters +# PSF file: structure.psf +# WARNING: No NBFIX parameters exist for atom type ocl! +# WARNING: No NBFIX parameters exist for atom type obl! +# WARNING: No NBFIX parameters exist for atom type o2l! +# WARNING: No NBFIX parameters exist for atom type oc2d2! +# WARNING: No NBFIX parameters exist for atom type oc2dp! +# WARNING: No NBFIX parameters exist for atom type og2d2! +# WARNING: No NBFIX parameters exist for atom type og2p1! +# +# Force field parameters +# Number of atom parameters: 107 +# Number of bond parameters: 154 +# Number of angle parameters: 378 +# Number of dihedral parameters: 505 +# Number of improper parameters: 49 +# Number of CMAP parameters: 6 +# +# System topology +# Number of atoms: 11340 +# Number of bonds: 7762 +# Number of angles: 4719 +# Number of dihedrals: 1657 +# Number of impropers: 100 +# Number of CMAPs: 5 +# +# Initializing engine +# Version: 7.7 +# Plugin directory: /home/sdoerr/miniforge3/envs/htmd/lib/acemd +# Loaded plugins +# CPU +# PME +# CUDA +# CudaCompiler +# OpenCL +# PlumedCUDA +# PlumedOpenCL +# PlumedReference +# Available platforms +# CPU +# CUDA +# OpenCL +# +# Bonded interactions +# Harmonic bond interactions +# Number of terms: 7762 +# Harmonic angle interactions +# Number of terms: 4719 +# Urey-Bradley interactions +# Number of terms: 593 +# Number of skipped terms (zero force constant): 4126 +# Proper dihedral interations +# Number of terms: 1760 +# Number of skipped terms (zero force constants): 366 +# Improper dihedral interations +# Number of terms: 100 +# CMAP interactions +# Number of terms: 5 +# +# Non-bonded interactions +# Number of exclusions: 14126 +# Lennard-Jones terms +# Cutoff distance: 9.000 A +# Switching distance: 7.500 A +# Coulombic (PME) term +# Ewald tolerance: 0.000500 +# Using NBFIX +# No implicit solvent +# +# Constraining hydrogen (X-H) bonds +# Number of constrained bonds: 7454 +# Making water molecules rigid +# Number of water molecules: 3564 +# Number of constraints: 11018 +# +# Repartitioning hydrogen atom mass +# New hydrogen mass: 4.032 au +# Number of hydrogen atoms: 7454 +# +# Reading box sizes from input.xsc +# +# Creating simulation system +# Number of particles: 11340 +# Number of degrees of freedom 22999 +# Periodic box size: 50.489 50.491 50.416 A +# +# Integrator +# Type: velocity Verlet +# Step size: 4.00 fs +# Constraint tolerance: 1.0e-06 +# +# Thermostat +# Type: Langevin +# Target temperature: 350.00 K +# Friction coefficient: 0.10 ps^-1 +# +# Setting up platform: CUDA +# Interactions: 1 2 3 4 5 6 7 7 12 +# Platform properties: +# DeviceIndex: 0 +# DeviceName: NVIDIA GeForce RTX 4050 Laptop GPU +# UseBlockingSync: false +# Precision: mixed +# UseCpuPme: false +# CudaCompiler: /usr/local/cuda/bin/nvcc +# TempDirectory: /tmp +# CudaHostCompiler: +# DisablePmeStream: false +# DeterministicForces: false +# +# Set initial positions from an input file +# +# Simulation restart +# Restat file: restart.chk +# WARNING: the restart file does not exist! +# WARNING: Unable to restart! Continuing with the initial positions, velocities, simulation box size +# +# Initial velocities +# Distribution: Maxwell-Boltzmann +# Temperature: 350.00 K +# +# Optimize platform for MD +# Number of constraints: 11018 +# Harmonic bond interations +# Initial number of terms: 7762 +# Optimized number of terms: 308 +# Remaining interactions: 2 3 4 5 6 7 7 12 1 +# +# Running simulation +# Current step: 0 +# Number of steps: 250000 +# +# Trajectory output +# Positions: output.xtc +# Period: 25000 +# Wrapping: off +# +# Log, trajectory, and restart files are written every 100.000 ps (25000 steps) +# Step Time Bond Angle Urey-Bradley Dihedral Improper CMAP Non-bonded Implicit External Potential Kinetic Total Temperature Volume +# [ps] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [kcal/mol] [K] [A^3] + 25000 100.00 151.1669 370.6191 51.3326 54.5992 21.7005 -24.8726 -34363.0071 0.0000 0.0000 -33738.4614 7988.5924 -25749.8690 349.584 128522.41 +# Speed: average 634.66 ns/day, current 634.66 ns/day +# Progress: 10.0, remaining time: 0:02:02, ETA: Tue Jun 11 16:48:55 2024 + 50000 200.00 135.6608 356.4916 45.6554 63.5421 22.9244 -23.2037 -34211.7342 0.0000 0.0000 -33610.6636 8025.6452 -25585.0184 351.206 128522.41 +# Speed: average 636.18 ns/day, current 637.70 ns/day +# Progress: 20.0, remaining time: 0:01:48, ETA: Tue Jun 11 16:48:55 2024 + 75000 300.00 155.5105 349.8252 50.8750 70.6103 19.6109 -22.7880 -34233.9342 0.0000 0.0000 -33610.2903 8000.9249 -25609.3654 350.124 128522.41 +# Speed: average 635.97 ns/day, current 635.55 ns/day +# Progress: 30.0, remaining time: 0:01:35, ETA: Tue Jun 11 16:48:55 2024 + 100000 400.00 137.4889 345.2835 50.7180 66.7044 24.1046 -18.2883 -34312.4713 0.0000 0.0000 -33706.4603 7976.5666 -25729.8936 349.058 128522.41 +# Speed: average 634.87 ns/day, current 631.60 ns/day +# Progress: 40.0, remaining time: 0:01:21, ETA: Tue Jun 11 16:48:55 2024 + 125000 500.00 140.5920 349.9853 52.0570 64.8362 20.0479 -23.9850 -34268.2362 0.0000 0.0000 -33664.7029 8006.0231 -25658.6798 350.347 128522.41 +# Speed: average 634.53 ns/day, current 633.16 ns/day +# Progress: 50.0, remaining time: 0:01:08, ETA: Tue Jun 11 16:48:55 2024 + 150000 600.00 133.0956 347.7316 49.7531 66.6545 26.1118 -20.1131 -34074.9107 0.0000 0.0000 -33471.6771 7976.3226 -25495.3545 349.047 128522.41 +# Speed: average 634.57 ns/day, current 634.81 ns/day +# Progress: 60.0, remaining time: 0:00:54, ETA: Tue Jun 11 16:48:55 2024 + 175000 700.00 133.2437 345.6509 50.6553 71.4670 29.3036 -22.6627 -34302.8938 0.0000 0.0000 -33695.2360 7883.9912 -25811.2448 345.007 128522.41 +# Speed: average 634.52 ns/day, current 634.21 ns/day +# Progress: 70.0, remaining time: 0:00:40, ETA: Tue Jun 11 16:48:55 2024 + 200000 800.00 135.1104 363.1063 48.9769 61.2974 26.7153 -26.4899 -34432.3083 0.0000 0.0000 -33823.5919 7894.6251 -25928.9669 345.472 128522.41 +# Speed: average 634.40 ns/day, current 633.54 ns/day +# Progress: 80.0, remaining time: 0:00:27, ETA: Tue Jun 11 16:48:56 2024 + 225000 900.00 135.6901 304.6684 46.5561 68.2257 18.3677 -22.9053 -34343.1101 0.0000 0.0000 -33792.5075 8076.1406 -25716.3669 353.415 128522.41 +# Speed: average 634.57 ns/day, current 635.99 ns/day +# Progress: 90.0, remaining time: 0:00:13, ETA: Tue Jun 11 16:48:55 2024 + 250000 1000.00 140.0882 354.2468 49.3638 70.3508 23.6370 -24.3641 -34224.5651 0.0000 0.0000 -33611.2425 8038.9191 -25572.3234 351.786 128522.41 +# Speed: average 634.75 ns/day, current 636.33 ns/day +# Progress: 100.0, remaining time: 0:00:00, ETA: Tue Jun 11 16:48:55 2024 +# Writing final coordinates to "output.coor" +# Writing final velocities to "output.vel" +# Writing final simulation box to "output.xsc" +# +# Simulation completed! +# +# WARNING: ACEMD was simulating with a non-commercial licence! +# For commercial use, a commercial licence is required. +# More details: https://software.acellera.com/acemd +# diff --git a/adaptivemd/input/e3s2_e1s1p0f1/output.coor b/adaptivemd/input/e3s2_e1s1p0f1/output.coor new file mode 100644 index 0000000..c631c99 Binary files /dev/null and b/adaptivemd/input/e3s2_e1s1p0f1/output.coor differ diff --git a/adaptivemd/input/e3s2_e1s1p0f1/output.vel b/adaptivemd/input/e3s2_e1s1p0f1/output.vel new file mode 100644 index 0000000..df49d0e Binary files /dev/null and b/adaptivemd/input/e3s2_e1s1p0f1/output.vel differ diff --git a/adaptivemd/input/e3s2_e1s1p0f1/output.xsc b/adaptivemd/input/e3s2_e1s1p0f1/output.xsc new file mode 100644 index 0000000..aff6362 --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/output.xsc @@ -0,0 +1,2 @@ +# XSC File generated by ACEMD +250000 5.048889e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.049091e+01 0.000000e+00 0.000000e+00 0.000000e+00 5.041617e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 diff --git a/adaptivemd/input/e3s2_e1s1p0f1/parameters b/adaptivemd/input/e3s2_e1s1p0f1/parameters new file mode 100644 index 0000000..5e3c040 --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/parameters @@ -0,0 +1,3629 @@ +!COMMENTS +*>>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<< +*>>>>> Includes phi, psi cross term map (CMAP) correction <<<<<<< +*>>>>>>>>>>>>>>>>>>>>>> December, 2003 <<<<<<<<<<<<<<<<<<<<<<<<<< +* All comments to ADM jr. via the CHARMM web site: www.charmm.org +* parameter set discussion forum +* +! +! references +! +!PROTEINS +! +!MacKerell, A.D., Jr,. Feig, M., Brooks, C.L., III, Extending the +!treatment of backbone energetics in protein force fields: limitations +!of gas-phase quantum mechanics in reproducing protein conformational +!distributions in molecular dynamics simulations, Journal of +!Computational Chemistry, 25: 1400-1415, 2004. +! +!MacKerell, Jr., A. D.; Bashford, D.; Bellott, M.; Dunbrack Jr., R.L.; +!Evanseck, J.D.; Field, M.J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; +!Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F.T.K.; Mattos, +!C.; Michnick, S.; Ngo, T.; Nguyen, D.T.; Prodhom, B.; Reiher, III, +!W.E.; Roux, B.; Schlenkrich, M.; Smith, J.C.; Stote, R.; Straub, J.; +!Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom +!empirical potential for molecular modeling and dynamics Studies of +!proteins. Journal of Physical Chemistry B, 1998, 102, 3586-3616. +! +!IONS (see lipid and nucleic acid topology and parameter files for +!additional ions +! +!ZINC +! +!Roland H. Stote and Martin Karplus, Zinc Binding in Proteins and +!Solution: A Simple but Accurate Nonbonded Representation, PROTEINS: +!Structure, Function, and Genetics 23:12-31 (1995) +! +! +* Parameters for water and ions +* +! +! +!ATOMS +!Following lines added from par_water_ions.prm +!MASS 1 HT 1.00800 ! TIPS3P WATER HYDROGEN +!MASS 2 HX 1.00800 ! hydroxide hydrogen +!MASS 3 OT 15.99940 ! TIPS3P WATER OXYGEN +!MASS 4 OX 15.99940 ! hydroxide oxygen +!MASS 5 LIT 6.94100 ! Lithium ion +!MASS 6 SOD 22.98977 ! Sodium Ion +!MASS 7 MG 24.30500 ! Magnesium Ion +!MASS 8 POT 39.09830 ! Potassium Ion +!MASS 9 CAL 40.08000 ! Calcium Ion +!MASS 10 RUB 85.46780 ! Rubidium Ion +!MASS 11 CES 132.90545 ! Cesium Ion +!MASS 12 BAR 137.32700 ! Barium Ion +!MASS 13 ZN 65.37000 ! zinc (II) cation +!MASS 14 CAD 112.41100 ! cadmium (II) cation +!MASS 15 CLA 35.45000 ! Chloride Ion +! +!Following lines added from par_all36_prot_arg0.prm +!MASS 501 HRA3 1.00800 ! alphatic proton, CH3 +!MASS 502 HRP2 1.00800 ! polar H, +ve charge +!MASS 503 HRM1 1.00800 ! polar H, dimethylamine +!MASS 504 HRM2 1.00800 ! polar H, methylamine +!MASS 505 CRN1 12.01100 ! conjugated C in Arg/guanidinium +!MASS 506 CR33 12.01100 ! aliphatic C for methyl group (-CH3) +!MASS 507 NRC4 14.00700 ! N for deprotonated Schiff's base +!MASS 508 NRN1 14.00700 ! dimethylamine nitrogen +!MASS 509 NRN2 14.00700 ! methylamine nitrogen +! +BONDS +!Following lines added from par_all22star_prot.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +NH2 CT1 240.00 1.455 ! From LSN NH2-CT2 +!Carbon Dioxide +CST OST 937.96 1.1600 ! JES +!Heme to Sulfate (PSUL) link +SS FE 250.0 2.3200 !force constant a guess + !equilbrium bond length optimized to reproduce + !CSD survey values of + !2.341pm0.01 (mean, standard error) + !adm jr., 7/01 +C C 600.000 1.3350 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +CA CA 305.000 1.3750 ! ALLOW ARO + ! benzene, JES 8/25/89 +CE1 CE1 440.000 1.3400 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CE2 500.000 1.3420 ! + ! for propene, yin/adm jr., 12/95 +CE1 CT2 365.000 1.5020 ! + ! for butene; from propene, yin/adm jr., 12/95 +CE1 CT3 383.000 1.5040 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE2 510.000 1.3300 ! + ! for ethene, yin/adm jr., 12/95 +CP1 C 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CC 250.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 CD 200.000 1.4900 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 222.500 1.5270 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 222.500 1.5370 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPB CE1 450.000 1.3800 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPA 299.800 1.4432 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CPB 340.700 1.3464 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 CPH1 410.000 1.3600 ! ALLOW ARO + ! histidine, adm jr., 6/27/90 +CPM CPA 360.000 1.3716 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA 305.000 1.3680 ! ALLOW ARO + ! adm jr., 12/30/91, for jwk +CPT CPT 360.000 1.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT1 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT1 222.500 1.5000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT2 CA 230.000 1.4900 ! ALLOW ALI ARO + ! phe,tyr, JES 8/25/89 +CT2 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT2 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 C 250.000 1.4900 ! ALLOW ALI PEP POL ARO + ! Ala Dipeptide ab initio calc's (LK) fixed from 10/90 (5/91) +CT3 CA 230.000 1.4900 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +CT3 CC 200.000 1.5220 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CD 200.000 1.5220 ! ALLOW POL + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CPB 230.000 1.4900 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 229.630 1.5000 ! ALLOW ARO + ! his, adm jr., 7/22/89, FC from CT2CT, BL from crystals +CT3 CS 190.000 1.5310 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +CT3 CT1 222.500 1.5380 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 222.500 1.5280 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT3 222.500 1.5300 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CY CA 350.000 1.3650 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CY CPT 350.000 1.4400 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 230.000 1.5100 ! ALLOW ARO + !JWK Kb from alkane freq.. b0 from TRP crystal +FE CM 258.000 1.9000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +FE CPM 0.000 3.3814 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +H CD 330.000 1.1100 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +!HA C 330.000 1.1000 ! ALLOW ARO HEM + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CA 340.000 1.0830 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CC 317.130 1.1000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +HA CP2 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 309.000 1.1110 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM 367.600 1.0900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CS 300.000 1.1110 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 309.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 322.000 1.1110 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY 330.000 1.0800 ! ALLOW ARO + ! JWK 05/14/91 new r0 from indole +HE1 CE1 360.500 1.1000 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 365.000 1.1000 ! + ! for ethene, yin/adm jr., 12/95 +HB CP1 330.000 1.0800 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 330.000 1.0800 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HP CA 340.000 1.0800 ! ALLOW ARO + ! phe,tyr JES 8/25/89 +HP CY 350.000 1.0800 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HR1 CPH1 375.000 1.0830 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 340.000 1.0900 ! ALLOW ARO + ! his, adm jr., 6/28/29 +HR2 CPH2 333.000 1.0700 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR3 CPH1 365.000 1.0830 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HT HT 0.000 1.5139 ! ALLOW WAT + ! FROM TIPS3P GEOMETRY (FOR SHAKE/W PARAM) +N C 260.000 1.3000 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 320.000 1.4340 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 320.000 1.4550 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C 463.000 1.3650 ! ALLOW PEP POL ARO + ! 403.0->463.0, 1.305->1.365 guanidinium (KK) +NC2 CT2 261.000 1.4900 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 261.000 1.4900 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NC2 HC 455.000 1.0000 ! ALLOW POL + ! 405.0->455.0 GUANIDINIUM (KK) +NH1 C 370.000 1.3450 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT2 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 CT3 320.000 1.4300 ! ALLOW ALI PEP POL ARO + ! NMA Gas & Liquid Phase IR Spectra (LK) +NH1 H 440.000 0.9970 ! ALLOW PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 HC 405.000 0.9800 ! ALLOW PEP POL ARO + ! (DS) +NH2 CC 430.000 1.3600 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +NH2 CT2 240.000 1.4550 + ! from NH2 CT3, neutral glycine, adm jr. +NH2 CT3 240.000 1.4550 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH2 H 480.000 1.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 HC 460.000 1.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT3 200.000 1.4800 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 HC 403.000 1.0400 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 320.000 1.4850 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 320.000 1.5020 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP HC 460.000 1.0060 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA 377.200 1.3757 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE 270.200 1.9580 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH2 400.000 1.3600 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 H 466.000 1.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 400.000 1.3800 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 400.000 1.3200 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 FE 65.000 2.2000 ! ALLOW HEM + ! Heme (6-liganded): His ligand (KK 05/13/91) +NR3 CPH1 380.000 1.3700 ! ALLOW ARO + ! his, adm jr., 6/28/90 +NR3 CPH2 380.000 1.3200 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 H 453.000 1.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA 270.000 1.3700 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT 270.000 1.3750 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY H 465.000 0.9760 ! ALLOW ARO + ! indole JWK 08/28/89 +O C 620.000 1.2300 ! ALLOW PEP POL ARO + ! Peptide geometry, condensed phase (LK) +O CC 650.000 1.2300 ! ALLOW PEP POL ARO + ! adm jr. 4/10/91, acetamide +OB CC 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid vibrations and geom. +OB CD 750.000 1.2200 ! ALLOW PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 8/27/91, phenoxide +OC CC 525.000 1.2600 ! ALLOW PEP POL ARO ION + ! adm jr. 7/23/91, acetic acid +OC CT2 450.000 1.3300 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 450.000 1.3300 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA 334.300 1.4110 ! ALLOW ARO ALC + ! MeOH, EMB 10/10/89, +OH1 CD 230.000 1.4000 ! ALLOW PEP POL ARO ALC + ! adm jr. 5/02/91, acetic acid pure solvent +OH1 CT1 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT2 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 CT3 428.000 1.4200 ! ALLOW ALI ALC ARO + ! methanol vib fit EMB 11/21/89 +OH1 H 545.000 0.9600 ! ALLOW ALC ARO + ! EMB 11/21/89 methanol vib fit +OM CM 1115.000 1.1280 ! ALLOW HEM + ! Heme (6-liganded): CO ligand (KK 05/13/91) +OM FE 250.000 1.8000 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OM OM 600.000 1.2300 ! ALLOW HEM + ! Heme (6-liganded): O2 ligand (KK 05/13/91) +OS CD 150.000 1.3340 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +OS CT3 340.000 1.4300 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OT HT 450.000 0.9572 ! ALLOW WAT + ! FROM TIPS3P GEOM +S CT2 198.000 1.8180 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S CT3 240.000 1.8160 ! ALLOW ALI SUL ION + ! fitted to C-S s 9/26/92 (FL) +S HS 275.000 1.3250 ! ALLOW SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +SM CT2 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM CT3 214.000 1.8160 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SM SM 173.000 2.0290 ! ALLOW SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +SS CS 205.000 1.8360 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(bond) = Kb(b - b0)**2 +! +!Kb: kcal/mole/A**2 +!b0: A +! +!atom type Kb b0 +! +HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM) +HT OT 450.0 0.9572 ! from TIPS3P geometry +OX HX 545.0 0.9700 ! hydroxide ion + +!Following lines added from par_all36_prot_arg0.prm +!atom type Kb b0 +!methylguanidine +!new parameters +CRN1 NRC4 500.00 1.3100 ! MGU1, methylguanidine +CRN1 NRN2 450.00 1.4400 ! MGU1, methylguanidine +! +CRN1 NRN1 500.00 1.4400 ! MGU2, methylguanidine2 +CR33 NRN1 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 HRP2 455.00 1.0000 ! MGU2, methylguanidine2 +!transferred parameters +CR33 NRC4 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +CR33 HRA3 322.00 1.1110 ! PROT alkane update, adm jr., 3/2/92 +NRN1 HRM1 447.80 1.0190 ! AMINE aliphatic amines +NRN2 HRM2 453.10 1.0140 ! AMINE aliphatic amines +NRN1 CT2 255.00 1.4630 ! MGU2, methylguanidine2 +NRC4 CT2 310.00 1.4400 ! RETINOL SCH1, Schiff's base, deprotonated +!end methylguanidine + + +ANGLES +!Following lines added from par_all22star_prot.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +H NH2 CT1 50.000 111.00 ! From LSN HC-NH2-CT2 +NH2 CT1 CT2 67.700 110.00 ! From LSN NH2-CT2-CT2 +NH2 CT1 CT3 67.700 110.00 ! From LSN NH2-CT2-CT2 +CT1 CD OH1 55.000 110.50 ! From ASPP CT2-CD-OH1 +CT3 CT1 CD 52.000 108.00 ! Ala cter +NH2 CT1 HB 38.000 109.50 50.00 2.1400 ! From LSN NH2-CT2-HA +NH2 CT1 C 50.000 107.00 ! From ALA Dipep. NH1-CT2-C +!Carbon Dioxide, JES +OST CST OST 3000.00 180.0000 ! CO2, JES +!Heme to Sulfate (PSUL) link +CS SS FE 50.0 100.6 !force constant a guess + !equilibrium angle optimized to reproduce + !CSD survey values + !107.5pm0.6 (mean, standard error) + !adm jr., 7/01 +SS FE NPH 100.0 90.0 !force constant a guess + !adm jr., 7/01 +! +CA CA CA 40.000 120.00 35.00 2.41620 ! ALLOW ARO + ! JES 8/25/89 +CE1 CE1 CT2 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CE1 CT3 48.00 123.50 ! + ! for 2-butene, yin/adm jr., 12/95 +CE1 CT2 CT3 32.00 112.20 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT2 48.00 126.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +CE2 CE1 CT3 47.00 125.20 ! + ! for propene, yin/adm jr., 12/95 +CP1 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 C 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CC 52.000 112.3000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 CD 50.000 112.3000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP2 CP1 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 CP2 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C 60.000 117.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 100.000 114.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 100.000 111.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPA CPB CE1 70.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPA CPM CPA 94.200 125.1200 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPA NPH CPA 139.300 103.9000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB CE1 CE2 70.000 121.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CE1 70.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CPB CPB CPA 30.800 106.5100 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH2 NR1 CPH1 130.000 107.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR2 CPH1 130.000 104.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CPH2 NR3 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPM CPA CPB 61.600 124.0700 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT CA CA 60.000 118.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CPT CA 60.000 122.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT CY CA 120.000 107.40 25.00 2.26100 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CPT NY CA 110.000 108.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CT1 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT1 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT1 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT1 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT1 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT1 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT1 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT1 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +CT2 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT2 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT2 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT1 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT1 CT1 53.350 111.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT2 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! from CT2 CT1 C, for lactams, adm jr. +CT2 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT3 CT2 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +CT2 CT2 CD 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +CT2 CT2 CPB 70.000 113.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CT2 CT2 58.350 113.60 11.16 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT2 CT3 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT2 CY CA 45.800 129.4000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 CY CPT 45.800 124.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +CT2 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! 107.5->120.0 to make planar Arg (KK) +CT2 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT2 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 CA CA 45.800 122.3000 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +CT3 CPB CPA 65.000 126.7400 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPB CPB 65.000 126.7500 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 CPH1 CPH1 45.800 130.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC=>CT2CA CA,BA=> CRYSTALS +CT3 CT1 C 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +CT3 CT1 CC 52.000 108.0000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/09/92, for ALA cter +CT3 CT1 CT1 53.350 108.50 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT2 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT1 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CA 51.800 107.5000 ! ALLOW ALI ARO + ! ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CPH1 58.350 113.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2CT, U-B omitted +CT3 CT2 CT1 58.350 113.50 11.16 2.56100 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +CT3 CT2 CT2 58.000 115.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 CT2 CT3 53.350 114.00 8.00 2.56100 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CT3 NC2 C 62.300 120.0000 ! ALLOW ALI POL PEP ARO + ! methylguanidinium, adm jr., 3/26/92 +CT3 NH1 C 50.000 120.0000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +CT3 OS CD 40.000 109.60 30.00 2.26510 ! ALLOW POL PEP + ! adm jr. 5/02/91, acetic acid pure solvent +CT3 S CT2 34.000 95.0000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +CY CT2 CT1 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +CY CT2 CT3 58.350 114.0000 ! ALLOW ARO + ! from TRP crystal, JWK +FE NPH CPA 96.150 128.0500 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +FE NR2 CPH1 30.000 133.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +FE NR2 CPH2 30.000 123.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +H NH1 C 34.000 123.0000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +H NH1 CT1 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT2 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH1 CT3 35.000 117.0000 ! ALLOW PEP POL ARO ALI + ! NMA Vibrational Modes (LK) +H NH2 CC 50.000 120.0000 ! ALLOW POL PEP ARO + ! his, adm jr. 8/13/90 acetamide geometry and vibrations +H NH2 H 23.000 120.0000 ! ALLOW POL + ! adm jr. 8/13/90 acetamide geometry and vibrations +H NR1 CPH1 30.000 125.50 20.00 2.15000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR1 CPH2 30.000 127.00 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 25.000 126.00 15.00 2.13000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH2 25.000 126.00 15.00 2.09000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NY CA 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT 28.000 126.0000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H OH1 CA 65.000 108.0000 ! ALLOW ALC ARO + ! JES 8/25/89 phenol +H OH1 CD 55.000 115.0000 ! ALLOW ALC ARO PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H OH1 CT1 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT2 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +H OH1 CT3 57.500 106.0000 ! ALLOW ALC ARO ALI + ! methanol vib fit EMB 11/21/89 +!HA C C 50.000 120.5000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +!HA C CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C HA 50.000 118.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK from propene (JCS)) +HA CA CA 29.000 120.00 25.00 2.15250 ! ALLOW ARO + ! trp, adm jr., 10/02/89 +HA CA CPT 41.000 122.0000 ! ALLOW ARO + !adm jr., 5/08/91, indole CCDB structure search +HA CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CP2 CP1 33.430 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 CP3 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 CP2 26.500 110.10 22.53 2.17900 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CPM CPA 12.700 117.4400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +HA CPM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +HA CS CT3 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CS HA 35.500 108.40 14.00 1.77500 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT1 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT1 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT1 CT1 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT2 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 CT3 34.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT1 HA 35.500 109.00 5.40 1.80200 ! TEST for test cpd + ! based on HA CT2 HA +HA CT2 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT2 CA 49.300 107.5000 ! ALLOW ALI ARO + ! PARALLH19 (JES) +HA CT2 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT2 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT2 CE1 45.00 111.50 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HA CT2 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT2 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT2 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT2 CT2 26.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CT3 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT2 CY 33.430 109.5000 ! ALLOW ARO + ! ADM JR., 10/02/89, from CT2CT2HA (U-B OMITTED), FOR JOANNA +HA CT2 HA 35.500 109.00 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 C 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! alanine dipeptide, LK, replaced, adm jr., 5/09/91 +HA CT3 CA 49.300 107.5000 ! ALLOW ALI ARO + ! toluene, adm jr. 3/7/92 +HA CT3 CC 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HA CT3 CD 33.000 109.50 30.00 2.16300 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +HA CT3 CE1 42.00 111.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HA CT3 CPB 50.000 109.5000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HA CT3 CPH1 33.430 109.5000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, from CT2CT2HA, U-B OMITTED +HA CT3 CS 34.600 110.10 22.53 2.17900 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT1 33.430 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane frequencies (MJF), alkane geometries (SF) +HA CT3 CT2 34.600 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 CT3 37.500 110.10 22.53 2.17900 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CT3 HA 35.500 108.40 5.40 1.80200 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +HA CY CA 20.000 126.40 25.00 2.18600 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HA CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HE1 CE1 CE1 52.00 119.50 ! + ! for 2-butene, yin/adm jr., 12/95 +HE1 CE1 CE2 42.00 118.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 40.00 116.00 ! + ! for 1-butene; from propene, yin/adm jr., 12/95 +HE1 CE1 CT3 22.00 117.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CPB 50.000 120.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +HE2 CE2 CE1 45.00 120.50 ! + ! for propene, yin/adm jr., 12/95 +HE2 CE2 CE2 55.50 120.50 ! + ! for ethene, yin/adm jr., 12/95 +HE2 CE2 HE2 19.00 119.00 ! + ! for propene, yin/adm jr., 12/95 +HB CP1 C 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CC 50.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CD 50.000 112.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 CP2 35.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT1 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT1 CT1 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT2 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 CT3 35.000 111.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 CC 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +HB CT2 CD 50.000 109.5000 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +HB CT2 HB 36.000 115.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 C 50.000 109.5000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NC2 C 49.000 120.0000 ! ALLOW POL PEP ARO + ! 35.3->49.0 GUANIDINIUM (KK) +HC NC2 CT2 40.400 120.0000 ! ALLOW POL ALI + ! 107.5->120.0 to make planar Arg (KK) +HC NC2 CT3 40.400 120.0000 ! ALLOW POL ALI + ! methylguanidinium, adm jr., 3/26/92 +HC NC2 HC 25.000 120.0000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH2 CT2 50.000 111.0000 ! ALLOW POL + ! from HC NH2 CT3, neutral glycine, adm jr. +HC NH2 CT3 50.000 111.0000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +HC NH2 HC 39.000 106.5000 ! ALLOW POL + ! 40.0->25.0 GUANIDINIUM (KK) +HC NH3 CT1 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT2 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 CT3 30.000 109.50 20.00 2.07400 ! ALLOW POL ALI + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NH3 HC 44.000 109.5000 ! ALLOW POL + ! new stretch and bend; methylammonium (KK 03/10/92) +HC NP CP1 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 33.000 109.50 4.00 2.05600 ! ALLOW POL ALI PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP HC 51.000 107.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA 30.000 120.00 22.00 2.15250 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT 30.000 122.00 22.00 2.14600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY 32.000 125.00 25.00 2.17300 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HP CY CA 32.000 126.40 25.00 2.18600 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CY CPT 32.000 126.40 25.00 2.25500 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +HR1 CPH1 CPH1 22.000 130.00 15.00 2.21500 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 CPH1 CPH1 25.000 130.00 20.00 2.20000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 38.800 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 43.000 95.0000 ! ALLOW SUL ION ALI + ! methanethiol pure solvent, adm jr., 6/22/92 +HT OT HT 55.000 104.5200 ! ALLOW WAT + ! TIP3P GEOMETRY, ADM JR. +N C CP1 20.000 112.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 20.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 C 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CC 50.000 108.2000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CD 50.000 108.2000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 CP2 70.000 110.8000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP1 HB 48.000 112.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 CP2 70.000 110.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CP3 HA 48.000 108.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 C NC2 52.000 120.00 90.00 2.36420 ! ALLOW POL PEP ARO + ! changed from 60.0/120.3 for guanidinium (KK) +NC2 CT2 CT2 67.700 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT2 HA 51.500 107.5000 ! ALLOW ALI POL + ! arg, (DS) +NC2 CT3 HA 51.500 107.5000 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +NH1 C CP1 80.000 116.5000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT2 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 C CT3 80.000 116.5000 ! ALLOW ALI PEP POL ARO + ! NMA Vib Modes (LK) +NH1 CT1 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH1 CT1 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT1 CT1 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 CT3 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT1 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 C 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT2 CC 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/20/92, for asn,asp,gln,glu and cters +NH1 CT2 CD 50.000 107.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH1 CT2 CT2 70.000 113.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT1 CT2, for lactams, adm jr. +NH1 CT2 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! from NH1 CT3 HA, for lactams, adm jr. +NH1 CT2 HB 48.000 108.0000 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 CT3 HA 51.500 109.5000 ! ALLOW ALI PEP POL ARO + ! NMA crystal (JCS) +NH2 CC CP1 80.000 112.5000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT1 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT2 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC CT3 50.000 116.50 50.00 2.45000 ! ALLOW ALI PEP POL ARO + ! adm jr. 8/13/90 acetamide geometry and vibrations +NH2 CC HA 44.000 111.00 50.00 1.98000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +NH2 CT2 HA 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral lysine +NH2 CT2 HB 38.000 109.50 50.00 2.14000 + !from NH2 CT3 HA, neutral glycine, adm jr. +NH2 CT2 CD 52.000 108.0000 + !from CT2 CT2 CD, neutral glycine, adm jr. +NH2 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + !from NH3 CT2 CT2, neutral lysine +NH2 CT3 HA 38.000 109.50 50.00 2.14000 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +NH3 CT1 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT1 CT1 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT2 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 CT3 67.700 110.0000 ! ALLOW ALI POL + ! new aliphatics, adm jr., 2/3/92 +NH3 CT1 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! new aliphatics, adm jr., 2/3/92 +NH3 CT2 C 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! alanine (JCS) +NH3 CT2 CC 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +NH3 CT2 CD 43.700 110.0000 ! ALLOW PEP POL ARO ALI + ! adm jr. 5/02/91, acetic acid pure solvent +NH3 CT2 CT2 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 CT3 67.700 110.0000 ! ALLOW ALI POL + ! alanine (JCS) +NH3 CT2 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NH3 CT2 HB 51.500 107.5000 ! ALLOW ALI POL PEP + ! for use on NTER -- from NH3 CT2HA (JCS) -- (LK) +NH3 CT3 HA 45.000 107.50 35.00 2.10100 ! ALLOW ALI POL + ! new stretch and bend; methylammonium (KK 03/10/92) +NP CP1 C 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC 50.000 106.0000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CD 50.000 106.0000 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 HB 51.500 107.5000 ! ALLOW ALI POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 CP2 70.000 108.5000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP3 HA 51.500 109.1500 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NPH CPA CPB 122.000 111.5400 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM 88.000 124.3900 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH FE CM 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NPH FE CPM 0.000 45.0000 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +NPH FE NPH 14.390 90.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH1 130.000 106.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR1 CPH1 CT2 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 CT3 45.800 124.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR1 CPH1 HR3 25.000 124.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH2 HR1 25.000 122.50 20.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH1 CPH1 130.000 110.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 45.800 120.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR2 CPH1 HR3 25.000 120.00 20.00 2.14000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH2 HR1 25.000 125.00 20.00 2.12000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 CPH2 NR1 130.000 112.5000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR2 FE CM 50.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR2 FE NPH 50.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +NR3 CPH1 CPH1 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CT2 45.800 122.0000 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FC FROM CA CT2CT +NR3 CPH1 HR1 22.000 122.00 15.00 2.18000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 HR2 32.000 126.00 25.00 2.14000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 NR3 145.000 108.0000 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NY CA CY 120.000 110.00 25.00 2.24000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CA HA 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CA HP 32.000 125.00 25.00 2.17700 ! ALLOW ARO + ! JWK 05/14/91 new theta0 and r0UB from indole +NY CPT CA 160.000 130.6000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +NY CPT CPT 110.000 107.4000 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +O C CP1 80.000 118.0000 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C CT3 80.000 121.0000 ! ALLOW ALI PEP POL ARO + ! Alanine Dipeptide ab initio calc's (LK) +O C H 50.000 121.7000 ! ALLOW PEP POL ARO + ! acetaldehyde (JCS) +O C N 80.000 122.5000 ! ALLOW PRO PEP POL ARO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 80.000 122.5000 ! ALLOW PEP POL ARO + ! NMA Vib Modes (LK) +O CC CP1 80.000 118.0000 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT1 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT2 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC CT3 15.000 121.00 50.00 2.44000 ! ALLOW ALI PEP POL ARO + ! adm jr. 4/10/91, acetamide update +O CC HA 44.000 122.0000 ! ALLOW POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O CC NH2 75.000 122.50 50.00 2.37000 ! ALLOW POL PEP ARO + ! adm jr. 4/10/91, acetamide update +OB CD CP1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OB CD CT1 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT2 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OB CD CT3 70.000 125.00 20.00 2.44200 ! ALLOW ALI PEP POL ARO + ! adm jr. 5/02/91, acetic acid pure solvent +OC CA CA 40.000 120.0000 ! ALLOW POL ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT2 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC CT3 40.000 118.00 50.00 2.38800 ! ALLOW ALI PEP POL ARO ION + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CC OC 100.000 124.00 70.00 2.22500 ! ALLOW POL ION PEP ARO + ! adm jr. 7/23/91, correction, ACETATE (KK) +OC CT2 CT3 65.000 122.0000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT2 HA 65.000 118.3000 ! ALLOW ALC + ! ethoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OC CT3 HA 65.000 118.3000 ! ALLOW ALC + ! methoxide 6-31+G* geom/freq, adm jr., 6/1/92 +OH1 CA CA 45.200 120.0000 ! ALLOW ARO ALC + ! PARALLH19 WITH [122.3] (JES) +OH1 CD CT2 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD CT3 55.000 110.5000 ! ALLOW ALI PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CD OB 50.000 123.00 210.00 2.26200 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid vibrations +OH1 CT1 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT1 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT1 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT2 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 CT3 75.700 110.1000 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT2 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OH1 CT3 HA 45.900 108.8900 ! ALLOW ALI ALC ARO + ! MeOH, EMB, 10/10/89 +OM CM FE 35.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM FE NPH 5.000 90.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OM OM FE 0.000 180.0000 ! ALLOW HEM + ! Heme (6-liganded): ligand links (KK 05/13/91) +OS CD CP1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OS CD CT1 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT2 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD CT3 55.000 109.00 20.00 2.32600 ! ALLOW POL PEP + ! adm jr., 4/05/91, for PRES CT1 from methylacetate +OS CD OB 90.000 125.90 160.00 2.25760 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OS CT2 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +OS CT3 HA 60.000 109.5000 ! ALLOW PEP POL + ! adm jr. 4/05/91, for PRES CT1 from methyl acetate +S CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +S CT2 CT2 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 CT3 58.000 114.5000 ! ALLOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +S CT2 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +S CT3 HA 46.100 111.3000 ! ALLOW ALI SUL ION + ! vib. freq. and HF/6-31G* geo. (DTN) 8/24/90 +SM CT2 CT1 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT2 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 CT3 58.000 112.5000 ! ALLOW ALI SUL ION + ! as in expt.MeEtS & DALC crystal, 5/15/92 +SM CT2 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM CT3 HA 38.000 111.0000 ! ALLOW ALI SUL ION + ! new S-S atom type 8/24/90 +SM SM CT2 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 72.500 103.3000 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 55.000 118.0000 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +SS CS HA 40.000 112.3000 ! ALLOW SUL + ! methylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 + +!Following lines added from par_water_ions.prm +! +!V(angle) = Ktheta(Theta - Theta0)**2 +! +!V(Urey-Bradley) = Kub(S - S0)**2 +! +!Ktheta: kcal/mole/rad**2 +!Theta0: degrees +!Kub: kcal/mole/A**2 (Urey-Bradley) +!S0: A +! +!atom types Ktheta Theta0 Kub S0 +! +HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY + +!Following lines added from par_all36_prot_arg0.prm +!atom types Ktheta Theta0 Kub S0 +!methylguanidine +!new parameters +NRN2 CRN1 NRN2 75.00 113.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 100.00 125.00 ! MGU1, methylguanidine +CRN1 NRC4 CR33 50.00 108.00 ! MGU1, methylguanidine +CRN1 NRN2 HRM2 55.00 108.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 50.00 125.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 50.00 110.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 43.00 106.00 ! MGU2, methylguanidine2 +CRN1 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CR33 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +NRN1 CR33 HRA3 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CRN1 NRC4 HRP2 49.00 113.00 ! MGU2, methylguanidine2 +!transferred parameters +NRC4 CR33 HRA3 42.00 113.50 ! RETINOL SCH1, Schiff's base, deprotonated +HRM2 NRN2 HRM2 29.50 105.85 ! AMINE aliphatic amines +HRA3 CR33 HRA3 35.50 108.40 5.40 1.80200 ! PROT alkane update +CT2 CT2 NRC4 67.70 110.00 ! RETINOL SCK0, deprotonated Schiff's base +HA2 CT2 NRC4 42.00 113.50 ! RETINOL SCK0, deprotonated Schiff's base +CT2 NRC4 CRN1 50.00 108.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 67.70 107.50 ! PROT arg, (DS) +HA2 CT2 NRN1 30.50 109.70 50.00 2.1400 ! MGU2, methylguanidine2 +CT2 NRN1 HRM1 45.00 104.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 43.00 106.00 ! MGU2, methylguanidine +!end methylguanidine + +DIHEDRALS +!Following lines added from par_all22star_prot.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! +!Neutral N terminus +NH2 CT1 C O 0.0000 1 0.00 +NH2 CT1 C NH1 0.0000 1 0.00 +H NH2 CT1 CT1 0.0000 1 0.00 +H NH2 CT1 C 0.000 1 0.00 +H NH2 CT1 HB 0.110 3 0.00 ! From LSN HC-NH2-CT2-HA +H NH2 CT1 CT2 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +H NH2 CT1 CT3 0.110 3 0.00 ! From LSN HC-NH2-CT2-CT2 +!Heme to Sulfate (PSUL) link +X FE SS X 0.0000 4 0.00 ! guess + !adm jr., 7/01 +X CS SS X 0.0000 3 0.20 ! guess + !from methanethiol, HS S CT3 HA + !adm jr., 7/01 +C CT1 NH1 C -0.2000 1 0.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -1.8250 1 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0540 2 90.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1090 1 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C 0.0770 2 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.0960 3 150.00 ! ALLOW PEP C22STAR +C CT1 NH1 C -0.1060 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +C CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +C N CP1 C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CA CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 +CA CPT CPT CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CA CT2 CT1 C 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +CA NY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CC CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CC CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +CC CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CC CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. adm jr., 3/3/93c +CD CP1 N C 0.0000 1 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CD CT1 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CD CT2 NH1 C 0.2000 1 180.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbon adm jr., 3/3/93c +CE1 CE1 CT3 HA 0.0300 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT2 CT3 0.5000 1 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 CT3 1.3000 3 180.00 ! + ! 1-butene, adm jr., 2/00 update +CE2 CE1 CT2 HA 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +CE2 CE1 CT3 HA 0.0500 3 180.00 ! + ! for propene, yin/adm jr., 12/95 +CP1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP2 CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N C CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 C 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CC 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 N CP1 CP2 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CP3 NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPH2 NR3 CPH1 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +CPT CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT CY CA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CPT CPT NY CA 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CT1 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT1 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT1 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT1 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT1 CT2 CC OC -0.3740 2 0.00 ! ALLOW PEP C22STAR +CT1 CT2 CC OC 0.1180 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +CT1 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT1 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT1 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT1 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! from CT2 C NH1 CT2, adm jr. 10/21/96 +CT2 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +CT2 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT2 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR2 CPH2 +CT2 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +CT2 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT2 CT2 CPH1 CPH1 0.4000 1 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. ADM JR., 9/4/89 +CT2 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT2 CT2 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! from CT2 CT1 NH1 C, for lactams, adm jr. +CT2 CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK +CT2 CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + !JWK +CT2 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT2 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT2 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT2 SM SM CT2 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT2 SM SM CT2 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT2 SM SM CT2 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 C NH1 CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 C NH1 CT2 1.6000 1 0.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! for acetylated GLY N-terminus, adm jr. +CT3 C NH1 CT3 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +CT3 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +CT3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM HA CPH1 NR1 CPH2 +CT3 CT1 NH1 C 1.8000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +CT3 CT2 CA CA 0.2300 2 180.00 ! ALLOW ARO ALI + ! ethylbenzene ethyl rotation, adm jr. 3/7/92 +CT3 CT2 CPH1 CPH1 0.2000 1 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.2700 2 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-ethylimidazole 4-21G rot bar, adm jr. 3/4/92 +CT3 CT2 CT2 CT2 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CT2 CT3 0.1500 1 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92, butane trans/gauche +CT3 CT2 CY CA 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 CY CPT 0.2300 2 180.00 ! ALLOW ARO + ! from ethylbenzene, adm jr., 3/7/92 +CT3 CT2 S CT3 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 CT2 S CT3 0.3700 3 0.00 ! ALOW ALI SUL ION + ! DTN 8/24/90 +CT3 NH1 C CP1 1.6000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +CT3 NH1 C CT1 1.6000 1 0.00 ! ALLOW PEP + ! Revised to adjust NMA cis/trans energy difference. (LK) +CT3 NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +CT3 S CT2 CT2 0.2400 1 180.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 S CT2 CT2 0.3700 3 0.00 ! ALOW ALI SUL ION + ! expt. MeEtS, 3/26/92 (FL) +CT3 SM SM CT3 1.0000 1 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CT3 SM SM CT3 4.1000 2 0.00 ! ALLOW ALI SUL ION + ! mp 6-311G** dimethyldisulfide, 3/26/92 (FL) +CT3 SM SM CT3 0.9000 3 0.00 ! ALLOW ALI SUL ION + ! improved CSSC dihedral in DMDS 5/15/92 (FL) +CY CA NY CPT 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CA CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +CY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H NH1 C CP1 2.5000 2 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NH1 C CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 C CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +H NH1 CT1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +H NH1 CT1 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH1 CT2 CC 0.0000 1 0.00 ! ALLOW PEP POL + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +H NH1 CT2 CD 0.0000 1 0.00 ! ALLOW PEP POL + ! adm jr. 5/02/91, acetic acid pure solvent +H NH1 CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from H NH1 CT2 CT3, for lactams, adm jr. +H NH1 CT2 CT3 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +H NH2 CC CT1 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT2 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CT3 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +H NH2 CC CP1 2.5000 2 180.00 ! ALLOW PEP POL ARO PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +H NR1 CPH1 CPH1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/20/89 +H NR1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HA CPH1 NR1 H +H NR3 CPH1 CPH1 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +H NR3 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NR3 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 7/22/89, FROM HC NR3 CPH1 HA +H NY CA CY 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CA 0.8000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +H NY CPT CPT 0.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +H OH1 CA CA 0.9900 2 180.00 ! ALLOW ARO ALC + ! phenol OH rot bar, 3.37 kcal/mole, adm jr. 3/7/92 +H OH1 CT1 CT1 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT1 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 1.3300 1 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.1800 2 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT1 CT3 0.3200 3 0.00 ! ALLOW ALC + ! 2-propanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT1 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT2 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 1.3000 1 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.3000 2 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +H OH1 CT2 CT3 0.4200 3 0.00 ! ALLOW ALC + ! ethanol OH hf/6-31g* torsional surface, adm jr., 3/2/93 +HA CA CA CA 3.5000 2 180.00 ! ALLOW ARO + ! adm jr., 10/02/89 +HA CA CA CPT 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CA HA 2.5000 2 180.00 ! ALLOW ARO + ! ADM JR., 10/02/89 +HA CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! TRP (JES) +HA CA CPT CY 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA CY CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK +HA CA NY CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CA NY H 1.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL + ! adm jr. 4/10/91, acetamide update +HA CP3 N C 0.0000 3 180.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 N CP1 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CP3 NP CP1 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HA CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT2 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT2 CY CA 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 CY CPT 0.2500 2 180.00 ! ALLOW ARO + ! JWK +HA CT2 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT2 S CT3 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CT3 CPH1 CPH1 0.0000 3 0.00 ! ALLOW ARO + ! 4-methylimidazole 4-21G//6-31G* rot bar. adm jr., 9/4/89 +HA CT3 CS HA 0.1600 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +HA CT3 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +HA CT3 NH1 C 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 NH1 H 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +HA CT3 S CT2 0.2800 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +HA CY CA CPT 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CA HA 1.2000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CA 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HA CY CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +HE1 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +CT3 CE1 CE1 HE1 1.0000 2 180.00 ! + ! 2-butene, adm jr., 8/98 update +HE1 CE1 CE2 HE2 5.2000 2 180.00 ! + ! for propene, yin/adm jr., 12/95 +HE1 CE1 CT2 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE1 CE1 CT2 CT3 0.1200 3 0.00 ! + ! for butene, yin/adm jr., 12/95 +HE1 CE1 CT3 HA 0.0000 3 0.00 + ! butene, adm jr., 2/00 update +HE2 CE2 CE1 CT2 5.2000 2 180.00 ! + ! for butene, yin/adm jr., 12/95 +HE2 CE2 CE1 CPB 5.2000 2 180.00 ! + ! for vinyl, from butene, yin/adm jr., 12/95 +HB CP1 N C 0.8000 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 N CP3 0.1000 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CP1 NP CP3 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HB CT1 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT1 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT2 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 C 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HB CT3 NH1 H 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +HC NH2 CT2 CT2 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HA 0.1100 3 0.00 + !from X CT3 NH2 X, neutral lysine +HC NH2 CT2 HB 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NH2 CT2 CD 0.1100 3 0.00 + !from X CT3 NH2 X, neutral glycine, adm jr. +HC NP CP1 C 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CC 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CD 0.0800 3 0.00 ! ALLOW PRO PEP + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP1 HB 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 CP2 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HC NP CP3 HA 0.0800 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +HP CA CA CA 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CA CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CA CT2 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 toluene and ethylbenzene +HP CA CA CT3 4.2000 2 180.00 ! ALLOW ARO + ! toluene, adm jr., 3/7/92 +HP CA CA HP 2.4000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 benzene +HP CA CPT CPT 3.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA CPT CY 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CA CY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA CY CT2 1.2000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +HP CA NY CPT 2.0000 2 180.00 ! ALLOW ARO + !adm jr., 12/30/91, for jwk +HP CA NY H 0.4000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CA HP 1.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HP CY CPT CPT 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +HR1 CPH1 CPH1 CT2 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 CT3 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 CPH1 HR1 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, his +HR1 CPH1 NR3 CPH2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH1 NR3 H 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 CPH1 3.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +HR2 CPH2 NR3 H 0.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90, YES, 0.0 +HR3 CPH1 CPH1 CT2 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 CT3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS S CT2 CT1 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT1 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT2 CT3 0.2400 1 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.1500 2 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 CT3 0.2700 3 0.00 ! ALLOW ALI SUL ION + ! ethanethiol C-C-S-H surface, adm jr., 4/18/93 +HS S CT2 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +HS S CT3 HA 0.2000 3 0.00 ! ALLOW ALI SUL ION + ! methanethiol pure solvent, adm jr., 6/22/92 +N C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT1 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT2 HB 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N C CT3 HA 0.0000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +N CT1 CT2 CA 0.0400 3 0.00 ! ALLOW ARO + ! 2.7 kcal/mole CH3 rot in ethylbenzene, adm jr, 3/7/92 +NH1 C CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH1 C CT1 CT1 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT2 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 CT3 0.0000 1 0.00 ! ALLOW PEP + ! ala dipeptide corrxn for new C VDW Rmin, 4/10/93 (LK) +NH1 C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT1 NH1 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 C CT1 NH1 -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 C CT2 CT2 0.0000 1 0.00 ! ALLOW PEP + ! from NH1 C CT1 CT2, for lactams, adm jr. +NH1 C CT2 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +NH1 C CT2 NH1 0.6000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH1 C CT3 HA 0.0000 3 0.00 ! ALLOW PEP + ! LK for autogenerate dihe, sp2-methyl, no dihedral potential +NH1 CT1 C N 0.6000 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -2.2860 1 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.3620 2 60.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.0130 1 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.9420 2 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N 0.2670 3 150.00 ! ALLOW PEP C22STAR +NH1 CT1 C N -0.1270 4 150.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT1 CT2 CC -1.4600 1 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.7650 2 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.1510 3 0.00 ! ALLOW PEP C22STAR +NH1 CT1 CT2 CC -0.6600 4 0.00 ! ALLOW PEP C22STAR + ! peptide update from DESRES 05/04/2011 +NH1 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH2 CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NH3 CT1 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT1 C NH1 0.6000 1 0.00 ! ALLOW PEP PRO + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93 +NH3 CT1 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NH3 CT2 C N 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NH3 CT2 C NH1 0.4000 1 0.00 ! ALLOW PEP PRO + ! adm jr. 3/24/92, for PRES GLYP +NH3 CT2 CC NH2 0.4000 1 0.00 ! ALLOW PEP PRO + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +NP CP1 C N 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 C NH1 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NP CP1 CC NH2 0.3000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NR1 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR1 CPH1 CPH1 HA +NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR1 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CPH1 CT2 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 CT3 3.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/22/89, FROM NR2 CPH1 CPH1 HA +NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! HIS CB-CG TORSION, +NR2 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR2 CPH2 NR1 H 1.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH1 CPH1 CT2 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 CT3 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 HR1 2.5000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CPH1 NR3 12.0000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH1 CT2 CT1 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT2 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 CT3 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT2 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH1 CT3 HA 0.1900 3 0.00 ! ALLOW ARO + ! 4-METHYLIMIDAZOLE 4-21G//6-31G* ROT BAR. ADM JR., 9/4/89 +NR3 CPH2 NR3 CPH1 12.0000 2 180.00 ! ALLOW ARO + ! his, ADM JR., 7/20/89 +NR3 CPH2 NR3 H 1.4000 2 180.00 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 4.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CA CY CT2 3.5000 2 180.00 ! ALLOW ARO + ! JWK +NY CA CY HA 3.5000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CA CY HP 3.5000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +NY CPT CA CA 2.8000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CA HA 4.0000 2 180.00 ! ALLOW ARO + ! JWK 09/05/89 +NY CPT CA HP 3.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CA 10.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +NY CPT CPT CY 5.0000 2 180.00 ! ALLOW ARO + ! JWK 05/14/91 fit to indole +O C CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C CT1 CT1 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT2 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 CT3 1.4000 1 0.00 ! ALLOW PEP + ! ala dipeptide update for new C VDW Rmin, adm jr., 3/3/93c +O C CT1 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT1 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT2 CT2 1.4000 1 0.00 ! ALLOW PEP + ! from O C CT1 CT2, for lactams, adm jr. +O C CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C CT2 HB 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH1 0.0000 1 0.00 ! ALLOW PEP + ! Alanine Dipeptide ab initio calc's (LK) +O C CT2 NH3 0.0000 1 0.00 ! ALLOW PEP PRO + ! Backbone parameter set made complete RLD 8/8/90 +O C CT3 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O C N CP1 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP1 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 2.7500 2 180.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C N CP3 0.3000 4 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O C NH1 CT1 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT2 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 CT3 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O C NH1 H 2.5000 2 180.00 ! ALLOW PEP + ! Gives appropriate NMA cis/trans barrier. (LK) +O CC CP1 CP2 0.4000 1 180.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 CP2 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.4000 1 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 HB 0.6000 2 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CP1 N -0.3000 4 0.00 ! ALLOW PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +O CC CT2 HA 0.0000 3 180.00 ! ALLOW POL + ! adm jr. 4/05/91, for asn,asp,gln,glu and cters +O CC NH2 H 1.4000 2 180.00 ! ALLOW PEP POL ARO PRO + ! adm jr. 4/10/91, acetamide update +OB CD OS CT2 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT2 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 0.9650 1 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OB CD OS CT3 3.8500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +OC CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! adm jr. 8/27/91, phenoxide +OC CC CP1 CP2 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 HB 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 N 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CP1 NP 0.1600 3 0.00 ! ALLOW PEP PRO POL + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +OC CC CT1 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OC CC CT2 NH3 3.2000 2 180.00 ! ALLOW PEP PRO + ! adm jr. 4/17/94, zwitterionic glycine +OH1 CA CA CA 3.1000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +OH1 CA CA HP 4.2000 2 180.00 ! ALLOW ARO + ! JES 8/25/89 phenol +S CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM CT2 CT2 HA 0.0100 3 0.00 ! ALLOW ALI SUL ION + ! DTN 8/24/90 +SM SM CT2 CT1 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 CT2 0.3100 3 0.00 ! ALLOW SUL ALI + ! S-S for cys-cys, dummy parameter for now ... DTN 9/04/90 +SM SM CT2 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SM SM CT3 HA 0.1580 3 0.00 ! ALLOW ALI SUL ION + ! expt. dimethyldisulfide, 3/26/92 (FL) +SS CS CT3 HA 0.1500 3 0.00 ! ALLOW SUL + ! ethylthiolate 6-31+G* geom/freq, adm jr., 6/1/92 +!X C C X 4.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X C NC2 X 2.2500 2 180.00 ! ALLOW PEP POL ARO + ! 9.0->2.25 GUANIDINIUM (KK) +X CD OH1 X 2.0500 2 180.00 ! ALLOW PEP POL ARO ALC + ! adm jr, 10/17/90, acetic acid C-Oh rotation barrier +X CD OS X 2.0500 2 180.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CE1 CE1 X 0.1500 1 0.00 + ! 2-butene, adm jr., 2/00 update +X CE1 CE1 X 8.5000 2 180.00 + ! 2-butene, adm jr., 2/00 update +X CE2 CE2 X 4.9000 2 180.00 ! + ! for ethene, yin/adm jr., 12/95 +X CP1 C X 0.0000 6 180.00 ! ALLOW POL PEP PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP1 CC X 0.0000 6 180.00 ! ALLOW POL PEP + ! changed to 0.0 RLD 5/19/92 +X CP1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! Alanine dipeptide; NMA; acetate; etc. backbone param. RLD 3/22/92 +X CP1 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP2 CP2 X 0.1600 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CP3 CP2 X 0.1400 3 0.00 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +X CPA CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPA CPM X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CE1 X 3.0000 2 180.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CPB X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) +X CPB CT2 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPB CT3 X 0.0000 6 0.00 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +X CPT CPT X 0.0000 2 180.00 ! ALLOW ARO + ! JWK indole 05/14/91 +X CT1 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT1 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT1 CT1 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 CT3 X 0.2000 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT1 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT1 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT1 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT2 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT2 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT2 CT2 X 0.1950 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT2 CT3 X 0.1600 3 0.00 ! ALLOW ALI + ! rotation barrier in Ethane (SF) +X CT2 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT2 NH3 X 0.1000 3 0.00 ! ALLOW ALI POL + ! 0.715->0.10 METHYLAMMONIUM (KK) +X CT2 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT2 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CA X 0.0000 6 0.00 ! ALLOW ALI ARO + ! toluene, adm jr., 3/7/92 +X CT3 CC X 0.0500 6 180.00 ! ALLOW POL PEP + ! For side chains of asp,asn,glu,gln, (n=6) from KK(LK) +X CT3 CD X 0.0000 6 180.00 ! ALLOW POL PEP + ! adm jr. 3/19/92, from lipid methyl acetate +X CT3 CT3 X 0.1550 3 0.00 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +X CT3 NC2 X 0.0000 6 180.00 ! ALLOW ALI POL + ! methylguanidinium, adm jr., 3/26/92 +X CT3 NH2 X 0.1100 3 0.00 ! ALLOW POL + ! methylamine geom/freq, adm jr., 6/2/92 +X CT3 NH3 X 0.0900 3 0.00 ! ALLOW ALI POL + ! fine-tuned to ab initio; METHYLAMMONIUM, KK 03/10/92 +X CT3 OH1 X 0.1400 3 0.00 ! ALLOW ALI ALC ARO + ! EMB 11/21/89 methanol vib fit +X CT3 OS X -0.1000 3 0.00 ! ALLOW PEP POL + ! adm jr. 3/19/92, from lipid methyl acetate +X FE CM X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X FE NPH X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): for "ic para" only (KK 05/13/91) +X FE NR2 X 0.0500 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): from param19.inp +X FE OM X 0.0000 4 0.00 ! ALLOW HEM + ! Heme (6-liganded): ligands (KK 05/13/91) +X NPH CPA X 0.0000 2 0.00 ! ALLOW HEM + ! Heme (6-liganded): dummy for "auto dihe" (KK 05/13/91) + +!Following lines added from par_water_ions.prm +! +!V(dihedral) = Kchi(1 + cos(n(chi) - delta)) +! +!Kchi: kcal/mole +!n: multiplicity +!delta: degrees +! +!atom types Kchi n delta +! + + +! +!Following lines added from par_all36_prot_arg0.prm +!atom types Kchi n delta +! +!methylguanidine +!new parameters +CRN1 NRC4 CR33 HRA3 0.1100 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRC4 CR33 6.5000 2 180.00 ! MGU1, methylguanidine +NRC4 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +NRN2 CRN1 NRN2 HRM2 1.3000 3 180.00 ! MGU1, methylguanidine +! +NRC4 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 CR33 0.5000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN2 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRP2 NRC4 CRN1 NRN1 5.2000 2 180.00 ! MGU2, methylguanidine2 +HRM2 NRN2 CRN1 NRN1 1.3000 3 180.00 ! MGU2, methylguanidine2 +NRC4 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +NRN2 CRN1 NRN1 HRM1 2.8000 3 180.00 ! MGU2, methylguanidine2 +CRN1 NRN1 CR33 HRA3 0.0000 3 180.00 ! MGU2, methylguanidine2 +HRM1 NRN1 CR33 HRA3 0.4200 3 0.00 ! MGU2, methylguanidine2 +!transferred parameters +CT2 CT2 NRC4 CRN1 0.1000 3 0.00 ! RETINOL SCH1, Schiff's base, deprotonated +CT2 NRC4 CRN1 NRN2 6.5000 2 180.00 ! MGU1, methylguanidine +HA2 CT2 NRC4 CRN1 0.1100 3 180.00 ! MGU1, methylguanidine +CT2 CT2 NRN1 HRM1 0.3000 3 180.00 ! amines +CT2 CT2 NRN1 CRN1 0.3000 3 180.00 ! amines +CT2 NRN1 CRN1 NRC4 0.5000 2 180.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 HRM1 0.4200 3 0.00 ! MGU2, methylguanidine2 +HA2 CT2 NRN1 CRN1 0.0000 3 180.00 ! MGU2, methylguanidine2 +CT2 NRN1 CRN1 NRN2 0.5000 2 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +IMPROPER +!Following lines added from par_all22star_prot.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! +CPB CPA NPH CPA 20.8000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB X X CE1 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT2 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +CT3 X X CPB 90.0000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA C C HA 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HA CPA CPA CPM 29.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +!HA CPB C C 20.0000 0 0.0000 ! ALLOW HEM ARO + ! Heme (6-liganded): substituents (KK 05/13/91) +!HA HA C C 20.0000 0 180.0000 ! ALLOW PEP POL ARO + ! Heme vinyl substituent (KK, from propene (JCS)) +HE2 HE2 CE2 CE2 3.0 0 0.00 ! + ! for ethene, yin/adm jr., 12/95 +HR1 NR1 NR2 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR1 NR2 NR1 CPH2 0.5000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +HR3 CPH1 NR1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR2 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 CPH1 NR3 CPH1 1.0000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR1 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HR3 NR2 CPH1 CPH1 0.5000 0 0.0000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +N C CP1 CP3 0.0000 0 0.0000 ! ALLOW PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +NC2 X X C 40.0000 0 0.0000 ! ALLOW PEP POL ARO + ! 5.75->40.0 GUANIDINIUM (KK) +NH1 X X H 20.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +NH2 X X H 4.0000 0 0.0000 ! ALLOW POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +NPH CPA CPA FE 137.4000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPB CPB 40.6000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPA CPM CPA 18.3000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NPH CPM CPB CPA 32.7000 0 0.0000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 CPH1 CPH2 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR1 CPH2 CPH1 H 0.4500 0 0.0000 ! ALLOW ARO + ! his, adm jr., 7/05/90 +NR3 CPH1 CPH2 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NR3 CPH2 CPH1 H 1.2000 0 0.0000 ! ALLOW ARO + ! his, adm jr., 6/27/90 +NY CA CY CPT 100.0000 0 0.0000 ! ALLOW ARO + !adm jr., 5/15/91, indole 3-21G HE1 out-of-plane surf. +O CP1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O CT1 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT2 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O CT3 NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O HA NH2 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! adm jr., 5/13/91, formamide geometry and vibrations +O N CT2 CC 120.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CP1 CC 45.0000 0 0.0000 ! ALLOW PEP POL PRO + ! 6-31g* AcProNH2 and ProNH2 RLD 5/19/92 +O NH2 CT1 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT2 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 CT3 CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 8/13/90 acetamide geometry and vibrations +O NH2 HA CC 45.0000 0 0.0000 ! ALLOW PEP POL + ! adm jr., 5/13/91, formamide geometry and vibrations +O X X C 120.0000 0 0.0000 ! ALLOW PEP POL ARO + ! NMA Vibrational Modes (LK) +OB X X CD 100.0000 0 0.0000 ! ALLOW ALC ARO POL + ! adm jr., 10/17/90, acetic acid vibrations +OC X X CC 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT1 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT2 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) +CC X X CT3 96.0000 0 0.0000 ! ALLOW PEP POL ARO ION + ! 90.0->96.0 acetate, single impr (KK) + +!Following lines added from par_water_ions.prm +! +!V(improper) = Kpsi(psi - psi0)**2 +! +!Kpsi: kcal/mole/rad**2 +!psi0: degrees +!note that the second column of numbers (0) is ignored +! +!atom types Kpsi psi0 +! + +!Following lines added from par_all36_prot_arg0.prm +!atom types Kpsi psi0 +!methylguanidine +CRN1 NRN2 NRN2 NRC4 170.0000 1 180.00 ! MGU1, methylguanidine +NRN2 HRM2 HRM2 CRN1 40.0000 1 180.00 ! MGU1, methylguanidine +! +CRN1 NRN2 NRC4 NRN1 170.0000 1 180.00 ! MGU2, methylguanidine2 +NRN1 CR33 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!transferred parameters +CRN1 NRC4 NRN2 NRN1 170.0000 1 180.00 ! MGU1, methylguanidine +NRN1 CT2 CRN1 HRM1 60.0000 1 180.00 ! MGU2, methylguanidine2 +!end methylguanidine + +CMAP +!Following lines added from par_all22star_prot.prm +! 2D grid correction data. The following surfaces are the correction +! to the CHARMM22 phi, psi alanine, proline and glycine dipeptide surfaces. +! Use of CMAP requires generation with the topology file containing the +! CMAP specifications along with version 31 or later of CHARMM. Note that +! use of "skip CMAP" yields the charmm22 energy surfaces. +! +! references +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Accurate Treatment of +!Protein Backbone Conformational Energetics in Empirical Force Fields, Submitted +!for publication. + +!MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of the +!Protein Backbone in Empirical Force Fields, Journal of the American Chemical +!Society, In Press. + + +! alanine map +C NH1 CT1 C NH1 CT1 C NH1 24 + +!-180 +0.126790 0.768700 0.971260 1.250970 2.121010 +2.695430 2.064440 1.764790 0.755870 -0.713470 +0.976130 -2.475520 -5.455650 -5.096450 -5.305850 +-3.975630 -3.088580 -2.784200 -2.677120 -2.646060 +-2.335350 -2.010440 -1.608040 -0.482250 + +!-165 +-0.802290 1.377090 1.577020 1.872290 2.398990 +2.461630 2.333840 1.904070 1.061460 0.518400 +-0.116320 -3.575440 -5.284480 -5.160310 -4.196010 +-3.276210 -2.715340 -1.806200 -1.101780 -1.210320 +-1.008810 -0.637100 -1.603360 -1.776870 + +!-150 +-0.634810 1.156210 1.624350 2.047200 2.653910 +2.691410 2.296420 1.960450 1.324930 2.038290 +-1.151510 -3.148610 -4.058280 -4.531850 -3.796370 +-2.572090 -1.727250 -0.961410 -0.282910 -0.479120 +-1.039340 -1.618060 -1.725460 -1.376360 + +!-135 +0.214000 1.521370 1.977440 2.377950 2.929470 +2.893410 2.435810 2.162970 1.761500 1.190090 +-1.218610 -2.108900 -2.976100 -3.405340 -2.768440 +-1.836030 -0.957950 0.021790 -0.032760 -0.665880 +-1.321170 -1.212320 -0.893170 -0.897040 + +!-120 +0.873950 1.959160 2.508990 2.841100 3.698960 +3.309330 2.614300 2.481720 2.694660 1.082440 +-0.398320 -1.761800 -2.945110 -3.294690 -2.308300 +-0.855480 -0.087320 0.439040 0.691880 -0.586330 +-1.027210 -0.976640 -0.467580 0.104020 + +!-105 +1.767380 2.286650 2.818030 3.065500 3.370620 +3.397440 2.730310 2.878790 2.542010 1.545240 +-0.092150 -1.694440 -2.812310 -2.802430 -1.856360 +-0.306240 -0.122440 0.444680 0.810150 -0.058630 +-0.270290 -0.178830 0.202360 0.493810 + +!-90 +1.456010 2.743180 2.589450 3.046230 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+-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +! glycine before proline map: use glycine map +C NH1 CT2 C NH1 CT2 C N 24 + +!-180 +-0.549160 -0.535500 -0.588110 -0.754620 -0.679290 +-0.038150 0.298460 0.326040 -0.375610 -1.704360 +-3.061280 -3.956460 -3.576280 -1.038930 2.012450 +-1.714610 -0.377660 0.317310 0.294580 -0.042920 +-0.676620 -0.744600 -0.586590 -0.554770 + +!-165 +-0.709450 -0.896700 -0.990850 -1.319240 -0.940260 +-0.126160 0.329180 0.258100 -0.534910 -1.715700 +-2.780320 -3.153350 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+-4.237410 -3.735160 -3.688580 -3.009910 -2.112940 +-1.455400 -0.925490 -1.121840 -1.561900 -2.751370 +-4.094860 -5.207530 -6.128530 -6.613030 + +!-30 +-5.716250 -4.434060 -2.788600 -0.974400 -0.729200 +-0.904940 -1.833540 -3.017700 -3.313450 -3.336010 +-3.181640 -3.594720 -1.231370 -0.603790 0.128810 +-1.222610 -0.909150 -0.837700 -1.346820 -3.040880 +-4.731110 -5.844860 -6.428460 -6.424880 + +!-15 +-3.991110 -2.046000 0.082550 -2.676110 -2.828500 +-2.596640 -2.843330 -3.011480 -2.312640 -2.405980 +-3.086210 -1.164620 -1.231660 -0.871900 -0.348980 +-1.735900 -0.914150 -0.484520 -1.818040 -3.602550 +-5.330320 -5.992270 -5.588080 -5.408360 + +!0 +-1.147060 -3.317730 -4.305100 -4.615200 -4.533780 +-3.622950 -2.832800 -1.872810 -1.144300 -1.994070 +-0.741980 -1.115010 -1.229250 -1.103680 -0.742430 +-1.973970 -1.070020 -1.802220 -2.712770 -3.624130 +-4.537100 -4.619970 -4.310890 -3.318290 + +!15 +-3.997710 -5.408360 -5.588080 -5.992270 -5.330320 +-3.602550 -1.818040 -0.484520 -0.914150 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-0.207560 -0.758950 -1.718060 +-2.220710 -2.435890 -4.372310 0.338010 -1.062570 +-1.337360 -1.020630 -0.851590 -0.801350 -0.886880 +-1.567160 -1.803720 -2.143020 -2.117750 + +!150 +-1.263610 -0.710760 -0.794980 -0.563330 -0.339050 +-0.092820 0.033160 0.000490 -0.628990 -1.664160 +-2.225630 -2.949180 0.753400 -1.546500 -2.165440 +-1.626260 -0.887080 -0.290670 -0.054220 -1.642540 +-1.119780 -1.656770 -1.665900 -1.482430 + +!165 +-0.684660 -0.477660 -0.348750 -0.462500 -0.271890 +-0.000430 0.196710 0.180860 -0.410680 -1.810120 +-2.675640 1.822690 -1.636020 -3.153350 -2.780320 +-1.715700 -0.534910 0.258100 0.329180 -0.126160 +-0.940260 -1.319240 -0.990850 -0.896700 + +NONBONDED +!Following lines added from par_all22star_prot.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +! +!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] +! +!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) +!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j +! +!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 +! +!carbons +C 0.000000 -0.110000 2.000000 ! ALLOW PEP POL ARO + ! NMA pure solvent, adm jr., 3/3/93 +CA 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! benzene (JES) +CC 0.000000 -0.070000 2.000000 ! ALLOW PEP POL ARO + ! adm jr. 3/3/92, acetic acid heat of solvation +CD 0.000000 -0.070000 2.000000 ! ALLOW POL + ! adm jr. 3/19/92, acetate a.i. and dH of solvation +CE1 0.000000 -0.068000 2.090000 ! + ! for propene, yin/adm jr., 12/95 +CE2 0.000000 -0.064000 2.080000 ! + ! for ethene, yin/adm jr., 12/95 +CM 0.000000 -0.110000 2.100000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand carbon (KK 05/13/91) +CP1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CP3 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! alkane update, adm jr., 3/2/92 +CPA 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPB 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPH1 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPH2 0.000000 -0.050000 1.800000 ! ALLOW ARO + ! adm jr., 10/23/91, imidazole solvation and sublimation +CPM 0.000000 -0.090000 1.800000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +CPT 0.000000 -0.090000 1.800000 0.000000 -0.090000 1.900000 ! ALLOW ARO + ! benzene (JES) +CS 0.000000 -0.110000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +CST 0.000000 -0.058000 1.563000 ! + ! carbon dioxide, JES +CT1 0.000000 -0.020000 2.275000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! isobutane pure solvent properties, adm jr, 2/3/92 +CT2 0.000000 -0.055000 2.175000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! propane pure solvent properties, adm jr, 2/3/92 +CT3 0.000000 -0.080000 2.060000 0.000000 -0.010000 1.900000 ! ALLOW ALI + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +CY 0.000000 -0.070000 1.992400 ! ALLOW ARO + ! TRP, JWK 08/29/89 +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +CT 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! from CT1x: needs work +CT1x 0.0 -0.0200 2.275 0.0 -0.01 1.9 ! alkane, 3/92: needs work +CT2x 0.0 -0.0560 2.010 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +CT3x 0.0 -0.0780 2.040 0.0 -0.01 1.9 ! alkane, 4/98, yin, adm jr. +! hydrogens +H 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 +HA 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HE1 0.000000 -0.031000 1.250000 ! + ! for propene, yin/adm jr., 12/95 +HE2 0.000000 -0.026000 1.260000 ! + ! for ethene, yin/adm jr., 12/95 +HB 0.000000 -0.022000 1.320000 ! ALLOW PEP ALI POL SUL ARO PRO ALC + ! methane/ethane a.i. and ethane pure solvent, adm jr, 2/3/92 +HC 0.000000 -0.046000 0.224500 ! ALLOW POL + ! new, small polar Hydrogen, see also adm jr. JG 8/27/89 +HP 0.000000 -0.030000 1.358200 0.000000 -0.030000 1.358200 ! ALLOW ARO + ! JES 8/25/89 values from Jorgensen fit to hydration energy +HR1 0.000000 -0.046000 0.900000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR2 0.000000 -0.046000 0.700000 ! ALLOW ARO + ! adm jr., 6/27/90, his +HR3 0.000000 -0.007800 1.468000 ! ALLOW ARO + ! adm jr., 3/24/92, maintain old aliphatic H VDW params +HS 0.000000 -0.100000 0.450000 ! ALLOW SUL + ! methanethiol pure solvent, adm jr., 6/22/92 +HT 0.000000 -0.046000 0.224500 ! ALLOW WAT + !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete +!new alkanes atoms types for conversion to new LJ parameters for c27 (see toppar_all22_prot_aliphatic_c27.str) +HA1 0.0 -0.022 1.3200 ! alkane, 3/92 +HA2 0.0 -0.028 1.3400 ! alkane, yin and mackerell, 4/98 +HA3 0.0 -0.024 1.3400 ! alkane, yin and mackerell, 4/98 +!nitrogens +N 0.000000 -0.200000 1.850000 0.000000 -0.000100 1.850000 ! ALLOW PRO + ! 6-31g* AcProNH2, ProNH2, 6-31g*//3-21g AcProNHCH3 RLD 4/23/93 +NC2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! JG 8/27/89; note: NH1 in ARG was changed to NC2. +NH1 0.000000 -0.200000 1.850000 0.000000 -0.200000 1.550000 ! ALLOW PEP POL ARO + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +NH2 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NH3 0.000000 -0.200000 1.850000 ! ALLOW POL + ! adm jr. +NP 0.000000 -0.200000 1.850000 ! ALLOW PRO + ! N-terminal proline; from 6-31g* +ProNH2 RLD 9/28/90 +NPH 0.000000 -0.200000 1.850000 ! ALLOW HEM + ! Heme (6-liganded): porphyrin macrocycle (KK 05/13/91) +NR1 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR2 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NR3 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! His, adm jr., 9/4/89 +NY 0.000000 -0.200000 1.850000 ! ALLOW ARO + ! trp, JWK +! oxygens +O 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL + ! This 1,4 vdW allows the C5 dipeptide minimum to exist.(LK) +OB 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! ALLOW PEP POL ARO + ! adm jr., 10/17/90, acetic acid carbonyl O +OC 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +OH1 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 8/14/90, MeOH nonbond and solvent (same as TIP3P) +OM 0.000000 -0.120000 1.700000 ! ALLOW HEM + ! Heme (6-liganded): CO ligand oxygen (KK 05/13/91) +OS 0.000000 -0.152100 1.770000 ! ALLOW ALC ARO + ! adm jr. 9/17/90, avoid O* wildcard +OST 0.000000 -0.165000 1.692000 ! + ! carbon dioxide, JES +OT 0.000000 -0.152100 1.768200 ! ALLOW WAT + !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete +! sulfurs +S 0.000000 -0.450000 2.000000 ! ALLOW SUL ION + ! adm jr., 3/3/92, methanethiol/ethylmethylsulfide pure solvent +SM 0.000000 -0.380000 1.975000 ! ALLOW SUL ION + ! adm jr., 3/3/92, dimethyldisulphide pure solvent +SS 0.000000 -0.470000 2.200000 ! ALLOW SUL + ! methylthiolate to water and F.E. of solvation, adm jr. 6/1/92 +!pyridine series LJ parametes (see toppar_pyridines.str) +CAP 0.000000 -0.070000 1.992400 ! +FA 0.000000 -0.12000 1.700000 + ! from 1,3-difluorobenzene pure solvent +CN 0.000000 -0.200000 1.750000 ! cyanopyridine +NC 0.000000 -0.600000 1.850000 ! cyanopyridine +OCA 0.000000 -0.120000 1.700000 0.000000 -0.120000 1.400000 ! 3acp +COA 0.000000 -0.110000 2.000000 ! 3acp +!fluorinated alkanes LJ parameters (see toppar_fluoro_alkanes.str) +CF1 0.000000 -0.060000 1.900000 +CF2 0.000000 -0.042000 2.050000 +CF3 0.000000 -0.020000 2.300000 +HF1 0.000000 -0.028000 1.3200 +HF2 0.000000 -0.030000 1.3000 +F1 0.0 -0.135 1.63 +F2 0.0 -0.105 1.63 +F3 0.0 -0.097 1.60 +!protein model compounds (see toppar_all22_prot_model.str) +C3 0.000000 -0.020000 2.275000 ! cyclopropane, JMW and CBP 4/04 +!retinol model compounds +CC1A 0.0 -0.0680 2.0900 ! +CC1B 0.0 -0.0680 2.0900 ! +CC2 0.0 -0.0640 2.0800 ! +NS1 0.000000 -0.200000 1.850000 !N for deprotonated Schiff's base +NS2 0.000000 -0.200000 1.850000 !N for protonated Schiff's base + +!Following lines added from par_water_ions.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + +!TIP3P LJ parameters +HT 0.0 -0.046 0.2245 +OT 0.0 -0.1521 1.7682 + +!for hydroxide +OX 0.000000 -0.120000 1.700000 ! ALLOW POL ION + ! JG 8/27/89 +HX 0.000000 -0.046000 0.224500 ! ALLOW PEP POL SUL ARO ALC + ! same as TIP3P hydrogen, adm jr., 7/20/89 + +!ions +LIT 0.0 -0.00233 1.2975 ! Lithium + ! From S Noskov, target ddG(Li-Na) was 23-26.0 kcal/mol (see JPC B, Lamoureux&Roux,2006) +SOD 0.0 -0.0469 1.41075 ! new CHARMM Sodium + ! ddG of -18.6 kcal/mol with K+ from S. Noskov +MG 0.0 -0.0150 1.18500 ! Magnesium + ! B. Roux dA = -441.65 +POT 0.0 -0.0870 1.76375 ! Potassium + ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol +CAL 0.0 -0.120 1.367 ! Calcium + ! S. Marchand and B. Roux, dA = -384.8 kcal/mol +RUB 0.0000 -0.15 1.90 ! Rubidium + ! delta A with respect to POT is +6.0 kcal/mol in bulk water +CES 0.0 -0.1900 2.100 ! Cesium + ! delta A with respect to POT is +12.0 kcal/mol +BAR 0.0 -0.150 1.890 ! Barium + ! B. Roux, dA = dA[calcium] + 64.2 kcal/mol +ZN 0.000000 -0.250000 1.090000 ! Zinc + ! RHS March 18, 1990 +CAD 0.000000 -0.120000 1.357000 ! Cadmium + ! S. Marchand and B. Roux, from delta delta G +CLA 0.0 -0.150 2.27 ! Chloride + ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol + +!Following lines added from par_all36_prot_arg0.prm +!cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 + !adm jr., 5/08/91, suggested cutoff scheme +!methylguanidine parameters +HRA3 0.0 -0.0240 1.3400 ! alkane, yin and mackerell, 4/98 +HRP2 0.0 -0.0460 0.2245 ! small polar Hydrogen, charged systems +HRM1 0.0 -0.0090 0.8750 ! aliphatic amines +HRM2 0.0 -0.0100 0.8750 ! aliphatic amines +! +CRN1 0.0 -0.1100 2.0000 ! NMA pure solvent, adm jr., 3/3/93 +CR33 0.0 -0.0780 2.0500 0.0 -0.01 1.9 ! alkane (CT3), 4/98, yin, adm jr +! +NRC4 0.0 -0.2000 1.8500 ! deprotonated Schiff's base +NRN1 0.0 -0.4500 2.0000 ! aliphatic amines +NRN2 0.0 -0.0600 1.9900 ! aliphatic amines +!end methylguanidine + +!END +NBFIX +!Following lines added from par_water_ions.prm +! Emin Rmin +! (kcal/mol) (A) +SOD CLA -0.083875 3.731 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +POT CLA -0.114236 4.081 ! From osmotic pressure calibration, J. Phys.Chem.Lett. 1:183-189 +!END + +! The following section contains NBFixes for sodium interacting with +! carboxylate oxygens of various CHARMM force fields. It will generate +! level -1 warnings whenever any of these force fields have not been +! read prior to the current stream file. Since we don't want to force +! the user to always read all the force fields, we're suppressing the +! warnings. The only side effect is that you will have "most severe +! warning was at level 0" at the end of your output. Also note that +! the user is responsible for reading the current file last if they +! want the NBFixes to apply. A more elegant solution would require new +! features to be added to CHARMM. +! parallel fix, to avoid duplicated messages in the log +!set para +!if ?NUMNODE gt 1 set para node 0 + +!set wrn ?WRNLEV +! Some versions of CHARMM don't seem to initialize wrnlev... +!if "@WRN" eq "?WRNLEV" set wrn 5 +!set bom ?bomlev +!WRNLEV -1 @PARA +!BOMLEV -1 @PARA +!read para card flex append +!* NBFix between carboxylate and sodium +!* + +! These NBFixes will only apply if the main files have been read in first!!! +!Following lines added from par_water_ions.prm + +!new SOD NBFIX values +! Simulations of Anionic Lipid Membranes: Development of Interaction-Specific +! Ion Parameters and Validation using NMR Data. +! Venable, R.M.; Luo, Y,; Gawrisch, K.; Roux, B.; Pastor, R.W. +! J. Phys. Chem. B 2013, 117 (35), pp 10183-10192. DOI: 10.1021/jp401512z +! +! prot +SOD OC -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OS -0.07502 3.13 ! POPC optim.; ester =O +!! NA +!SOD ON3 -0.07502 3.16 ! POPC optim.; phosphate =O UNVALIDATED +!! lipid +SOD OCL -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OBL -0.07502 3.13 ! POPC optim.; ester =O +SOD O2L -0.07502 3.16 ! POPC optim.; phosphate =O +!! carb +SOD OC2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +SOD OC2DP -0.07502 3.16 ! POPC optim.; phosphate =O +!! CGenFF +SOD OG2D2 -0.07502 3.23 ! osmotic P; carboxylate =O +! OG2D1 in CGenFF shared between esters, amides, aldehydes,... +!SOD OG2D1 -0.07502 3.13 ! POPC optim.; ester =O +SOD OG2P1 -0.07502 3.16 ! POPC optim.; phosphate =O + +!END +HBOND +!Following lines added from par_all22star_prot.prm + ! READ PARAM APPEND CARD + ! to append hbond parameters from the file: par_hbond.inp + +END \ No newline at end of file diff --git a/adaptivemd/input/e3s2_e1s1p0f1/restart.chk b/adaptivemd/input/e3s2_e1s1p0f1/restart.chk new file mode 100644 index 0000000..e79d6f9 Binary files /dev/null and b/adaptivemd/input/e3s2_e1s1p0f1/restart.chk differ diff --git a/adaptivemd/input/e3s2_e1s1p0f1/restart.chk.bkp b/adaptivemd/input/e3s2_e1s1p0f1/restart.chk.bkp new file mode 100644 index 0000000..7fb9e6c Binary files /dev/null and b/adaptivemd/input/e3s2_e1s1p0f1/restart.chk.bkp differ diff --git a/adaptivemd/input/e3s2_e1s1p0f1/run.sh b/adaptivemd/input/e3s2_e1s1p0f1/run.sh new file mode 100755 index 0000000..e2630c1 --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/run.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +acemd3 >log.txt 2>&1 + diff --git a/adaptivemd/input/e3s2_e1s1p0f1/structure.pdb b/adaptivemd/input/e3s2_e1s1p0f1/structure.pdb new file mode 100644 index 0000000..2b58bb1 --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/structure.pdb @@ -0,0 +1,11345 @@ +MODEL 1 +ATOM 1 CAY MET 1 20.934 -3.579 -22.871 0.00 0.00 P C +ATOM 2 HY1 MET 1 21.144 -3.509 -23.961 0.00 0.00 P H +ATOM 3 HY2 MET 1 21.914 -3.329 -22.401 0.00 0.00 P H +ATOM 4 HY3 MET 1 20.444 -2.589 -22.751 0.00 0.00 P H +ATOM 5 CY MET 1 20.224 -4.549 -22.191 0.00 0.00 P C +ATOM 6 OY MET 1 20.514 -4.819 -21.051 0.00 0.00 P O +ATOM 7 N MET 1 19.144 -5.189 -22.741 0.00 0.00 P N +ATOM 8 HN MET 1 19.034 -5.109 -23.731 0.00 0.00 P H +ATOM 9 CA MET 1 18.264 -6.069 -22.101 0.00 0.00 P C +ATOM 10 HA MET 1 17.734 -5.469 -21.381 0.00 0.00 P H +ATOM 11 CB MET 1 17.044 -6.279 -23.061 0.00 0.00 P C +ATOM 12 HB1 MET 1 16.134 -6.399 -22.441 0.00 0.00 P H +ATOM 13 HB2 MET 1 16.934 -5.329 -23.631 0.00 0.00 P H +ATOM 14 CG MET 1 17.264 -7.469 -24.081 0.00 0.00 P C +ATOM 15 HG1 MET 1 18.144 -7.269 -24.721 0.00 0.00 P H +ATOM 16 HG2 MET 1 17.514 -8.429 -23.571 0.00 0.00 P H +ATOM 17 SD MET 1 15.784 -7.699 -25.041 0.00 0.00 P S +ATOM 18 CE MET 1 14.644 -8.859 -24.111 0.00 0.00 P C +ATOM 19 HE1 MET 1 14.444 -9.609 -24.911 0.00 0.00 P H +ATOM 20 HE2 MET 1 15.174 -9.459 -23.341 0.00 0.00 P H +ATOM 21 HE3 MET 1 13.714 -8.399 -23.701 0.00 0.00 P H +ATOM 22 C MET 1 18.874 -7.309 -21.501 0.00 0.00 P C +ATOM 23 O MET 1 18.494 -7.699 -20.441 0.00 0.00 P O +ATOM 24 N LYS 2 20.034 -7.889 -21.991 0.00 0.00 P N +ATOM 25 HN LYS 2 20.404 -7.509 -22.831 0.00 0.00 P H +ATOM 26 CA LYS 2 20.924 -8.789 -21.251 0.00 0.00 P C +ATOM 27 HA LYS 2 20.134 -9.499 -21.031 0.00 0.00 P H +ATOM 28 CB LYS 2 21.984 -9.429 -22.211 0.00 0.00 P C +ATOM 29 HB1 LYS 2 21.644 -9.469 -23.271 0.00 0.00 P H +ATOM 30 HB2 LYS 2 22.844 -8.729 -22.321 0.00 0.00 P H +ATOM 31 CG LYS 2 22.574 -10.719 -21.791 0.00 0.00 P C +ATOM 32 HG1 LYS 2 23.174 -11.079 -22.661 0.00 0.00 P H +ATOM 33 HG2 LYS 2 23.314 -10.499 -20.991 0.00 0.00 P H +ATOM 34 CD LYS 2 21.694 -11.839 -21.381 0.00 0.00 P C +ATOM 35 HD1 LYS 2 22.354 -12.449 -20.731 0.00 0.00 P H +ATOM 36 HD2 LYS 2 20.914 -11.519 -20.661 0.00 0.00 P H +ATOM 37 CE LYS 2 21.074 -12.509 -22.601 0.00 0.00 P C +ATOM 38 HE1 LYS 2 20.504 -11.679 -23.081 0.00 0.00 P H +ATOM 39 HE2 LYS 2 21.724 -12.879 -23.411 0.00 0.00 P H +ATOM 40 NZ LYS 2 20.284 -13.689 -22.301 0.00 0.00 P N +ATOM 41 HZ1 LYS 2 20.844 -14.559 -22.171 0.00 0.00 P H +ATOM 42 HZ2 LYS 2 19.604 -13.669 -21.521 0.00 0.00 P H +ATOM 43 HZ3 LYS 2 19.804 -13.949 -23.191 0.00 0.00 P H +ATOM 44 C LYS 2 21.614 -8.249 -19.941 0.00 0.00 P C +ATOM 45 O LYS 2 22.034 -9.059 -19.171 0.00 0.00 P O +ATOM 46 N VAL 3 21.594 -6.939 -19.711 0.00 0.00 P N +ATOM 47 HN VAL 3 21.104 -6.299 -20.301 0.00 0.00 P H +ATOM 48 CA VAL 3 22.524 -6.319 -18.801 0.00 0.00 P C +ATOM 49 HA VAL 3 23.234 -6.999 -18.341 0.00 0.00 P H +ATOM 50 CB VAL 3 23.524 -5.379 -19.631 0.00 0.00 P C +ATOM 51 HB VAL 3 22.974 -4.439 -19.841 0.00 0.00 P H +ATOM 52 CG1 VAL 3 24.824 -4.979 -19.001 0.00 0.00 P C +ATOM 53 HG11 VAL 3 25.444 -5.899 -18.921 0.00 0.00 P H +ATOM 54 HG12 VAL 3 25.304 -4.269 -19.711 0.00 0.00 P H +ATOM 55 HG13 VAL 3 24.764 -4.529 -17.991 0.00 0.00 P H +ATOM 56 CG2 VAL 3 23.814 -5.999 -21.071 0.00 0.00 P C +ATOM 57 HG21 VAL 3 22.924 -5.949 -21.741 0.00 0.00 P H +ATOM 58 HG22 VAL 3 24.654 -5.429 -21.511 0.00 0.00 P H +ATOM 59 HG23 VAL 3 24.334 -6.989 -21.051 0.00 0.00 P H +ATOM 60 C VAL 3 21.694 -5.559 -17.761 0.00 0.00 P C +ATOM 61 O VAL 3 22.124 -4.539 -17.261 0.00 0.00 P O +ATOM 62 N ILE 4 20.494 -6.079 -17.341 0.00 0.00 P N +ATOM 63 HN ILE 4 20.064 -6.919 -17.651 0.00 0.00 P H +ATOM 64 CA ILE 4 19.584 -5.459 -16.371 0.00 0.00 P C +ATOM 65 HA ILE 4 19.114 -4.609 -16.831 0.00 0.00 P H +ATOM 66 CB ILE 4 18.384 -6.349 -15.991 0.00 0.00 P C +ATOM 67 HB ILE 4 18.414 -6.959 -15.061 0.00 0.00 P H +ATOM 68 CG2 ILE 4 17.224 -5.349 -15.661 0.00 0.00 P C +ATOM 69 HG21 ILE 4 17.584 -4.609 -14.901 0.00 0.00 P H +ATOM 70 HG22 ILE 4 17.024 -4.679 -16.521 0.00 0.00 P H +ATOM 71 HG23 ILE 4 16.204 -5.679 -15.351 0.00 0.00 P H +ATOM 72 CG1 ILE 4 17.974 -7.409 -17.111 0.00 0.00 P C +ATOM 73 HG11 ILE 4 17.844 -6.949 -18.121 0.00 0.00 P H +ATOM 74 HG12 ILE 4 18.814 -8.139 -17.131 0.00 0.00 P H +ATOM 75 CD ILE 4 16.574 -8.089 -17.001 0.00 0.00 P C +ATOM 76 HD1 ILE 4 16.414 -8.599 -16.031 0.00 0.00 P H +ATOM 77 HD2 ILE 4 15.804 -7.309 -17.211 0.00 0.00 P H +ATOM 78 HD3 ILE 4 16.504 -8.699 -17.931 0.00 0.00 P H +ATOM 79 C ILE 4 20.114 -5.049 -15.091 0.00 0.00 P C +ATOM 80 O ILE 4 20.784 -5.859 -14.531 0.00 0.00 P O +ATOM 81 N PHE 5 19.904 -3.819 -14.641 0.00 0.00 P N +ATOM 82 HN PHE 5 19.384 -3.069 -15.051 0.00 0.00 P H +ATOM 83 CA PHE 5 20.774 -3.379 -13.481 0.00 0.00 P C +ATOM 84 HA PHE 5 21.744 -3.839 -13.641 0.00 0.00 P H +ATOM 85 CB PHE 5 20.924 -1.779 -13.521 0.00 0.00 P C +ATOM 86 HB1 PHE 5 19.884 -1.409 -13.401 0.00 0.00 P H +ATOM 87 HB2 PHE 5 21.694 -1.519 -12.761 0.00 0.00 P H +ATOM 88 CG PHE 5 21.544 -1.199 -14.811 0.00 0.00 P C +ATOM 89 CD1 PHE 5 22.664 -1.869 -15.301 0.00 0.00 P C +ATOM 90 HD1 PHE 5 23.044 -2.709 -14.741 0.00 0.00 P H +ATOM 91 CE1 PHE 5 22.974 -1.759 -16.671 0.00 0.00 P C +ATOM 92 HE1 PHE 5 23.744 -2.419 -17.051 0.00 0.00 P H +ATOM 93 CZ PHE 5 22.244 -0.929 -17.531 0.00 0.00 P C +ATOM 94 HZ PHE 5 22.374 -0.729 -18.581 0.00 0.00 P H +ATOM 95 CD2 PHE 5 20.874 -0.339 -15.631 0.00 0.00 P C +ATOM 96 HD2 PHE 5 19.854 -0.019 -15.461 0.00 0.00 P H +ATOM 97 CE2 PHE 5 21.174 -0.239 -16.971 0.00 0.00 P C +ATOM 98 HE2 PHE 5 20.564 0.491 -17.491 0.00 0.00 P H +ATOM 99 C PHE 5 20.204 -3.859 -12.141 0.00 0.00 P C +ATOM 100 O PHE 5 20.884 -3.889 -11.141 0.00 0.00 P O +ATOM 101 N LEU 6 18.934 -4.359 -12.081 0.00 0.00 P N +ATOM 102 HN LEU 6 18.334 -4.459 -12.871 0.00 0.00 P H +ATOM 103 CA LEU 6 18.184 -4.959 -10.931 0.00 0.00 P C +ATOM 104 HA LEU 6 18.714 -4.809 -10.001 0.00 0.00 P H +ATOM 105 CB LEU 6 16.784 -4.319 -10.721 0.00 0.00 P C +ATOM 106 HB1 LEU 6 16.074 -4.489 -11.561 0.00 0.00 P H +ATOM 107 HB2 LEU 6 16.354 -4.769 -9.801 0.00 0.00 P H +ATOM 108 CG LEU 6 16.724 -2.749 -10.541 0.00 0.00 P C +ATOM 109 HG LEU 6 17.164 -2.219 -11.411 0.00 0.00 P H +ATOM 110 CD1 LEU 6 15.264 -2.259 -10.461 0.00 0.00 P C +ATOM 111 HD11 LEU 6 14.654 -2.779 -9.691 0.00 0.00 P H +ATOM 112 HD12 LEU 6 14.934 -1.209 -10.451 0.00 0.00 P H +ATOM 113 HD13 LEU 6 14.784 -2.519 -11.421 0.00 0.00 P H +ATOM 114 CD2 LEU 6 17.694 -2.319 -9.291 0.00 0.00 P C +ATOM 115 HD21 LEU 6 18.744 -2.599 -9.491 0.00 0.00 P H +ATOM 116 HD22 LEU 6 17.534 -1.229 -9.181 0.00 0.00 P H +ATOM 117 HD23 LEU 6 17.414 -2.919 -8.391 0.00 0.00 P H +ATOM 118 C LEU 6 18.114 -6.409 -11.051 0.00 0.00 P C +ATOM 119 O LEU 6 17.914 -6.759 -12.201 0.00 0.00 P O +ATOM 120 N LYS 7 18.344 -7.339 -10.081 0.00 0.00 P N +ATOM 121 HN LYS 7 18.514 -7.149 -9.121 0.00 0.00 P H +ATOM 122 CA LYS 7 18.264 -8.759 -10.431 0.00 0.00 P C +ATOM 123 HA LYS 7 17.384 -8.819 -11.061 0.00 0.00 P H +ATOM 124 CB LYS 7 19.264 -9.289 -11.471 0.00 0.00 P C +ATOM 125 HB1 LYS 7 18.974 -10.349 -11.611 0.00 0.00 P H +ATOM 126 HB2 LYS 7 19.074 -8.799 -12.461 0.00 0.00 P H +ATOM 127 CG LYS 7 20.774 -9.079 -10.961 0.00 0.00 P C +ATOM 128 HG1 LYS 7 20.684 -8.159 -10.351 0.00 0.00 P H +ATOM 129 HG2 LYS 7 21.154 -9.789 -10.191 0.00 0.00 P H +ATOM 130 CD LYS 7 21.764 -8.709 -12.011 0.00 0.00 P C +ATOM 131 HD1 LYS 7 21.344 -8.259 -12.931 0.00 0.00 P H +ATOM 132 HD2 LYS 7 22.564 -8.019 -11.681 0.00 0.00 P H +ATOM 133 CE LYS 7 22.524 -9.929 -12.411 0.00 0.00 P C +ATOM 134 HE1 LYS 7 23.384 -9.749 -13.101 0.00 0.00 P H +ATOM 135 HE2 LYS 7 22.974 -10.419 -11.521 0.00 0.00 P H +ATOM 136 NZ LYS 7 21.674 -10.869 -13.131 0.00 0.00 P N +ATOM 137 HZ1 LYS 7 20.974 -10.559 -13.841 0.00 0.00 P H +ATOM 138 HZ2 LYS 7 22.204 -11.679 -13.531 0.00 0.00 P H +ATOM 139 HZ3 LYS 7 21.174 -11.229 -12.291 0.00 0.00 P H +ATOM 140 C LYS 7 18.144 -9.679 -9.211 0.00 0.00 P C +ATOM 141 O LYS 7 19.084 -9.929 -8.431 0.00 0.00 P O +ATOM 142 N ASP 8 16.914 -10.259 -9.041 0.00 0.00 P N +ATOM 143 HN ASP 8 16.204 -10.099 -9.721 0.00 0.00 P H +ATOM 144 CA ASP 8 16.294 -11.289 -8.111 0.00 0.00 P C +ATOM 145 HA ASP 8 15.384 -11.479 -8.641 0.00 0.00 P H +ATOM 146 CB ASP 8 17.124 -12.519 -7.901 0.00 0.00 P C +ATOM 147 HB1 ASP 8 18.104 -12.189 -7.501 0.00 0.00 P H +ATOM 148 HB2 ASP 8 16.724 -13.189 -7.121 0.00 0.00 P H +ATOM 149 CG ASP 8 17.204 -13.289 -9.201 0.00 0.00 P C +ATOM 150 OD1 ASP 8 16.144 -13.719 -9.721 0.00 0.00 P O +ATOM 151 OD2 ASP 8 18.304 -13.469 -9.721 0.00 0.00 P O +ATOM 152 C ASP 8 15.994 -10.579 -6.801 0.00 0.00 P C +ATOM 153 O ASP 8 16.884 -9.939 -6.101 0.00 0.00 P O +ATOM 154 N VAL 9 14.734 -10.669 -6.351 0.00 0.00 P N +ATOM 155 HN VAL 9 14.104 -10.979 -7.051 0.00 0.00 P H +ATOM 156 CA VAL 9 14.084 -10.129 -5.321 0.00 0.00 P C +ATOM 157 HA VAL 9 14.604 -9.259 -4.931 0.00 0.00 P H +ATOM 158 CB VAL 9 12.604 -9.859 -5.671 0.00 0.00 P C +ATOM 159 HB VAL 9 12.104 -10.629 -6.291 0.00 0.00 P H +ATOM 160 CG1 VAL 9 11.704 -9.629 -4.491 0.00 0.00 P C +ATOM 161 HG11 VAL 9 12.054 -8.819 -3.811 0.00 0.00 P H +ATOM 162 HG12 VAL 9 10.664 -9.399 -4.801 0.00 0.00 P H +ATOM 163 HG13 VAL 9 11.514 -10.519 -3.851 0.00 0.00 P H +ATOM 164 CG2 VAL 9 12.324 -8.569 -6.581 0.00 0.00 P C +ATOM 165 HG21 VAL 9 12.754 -7.579 -6.321 0.00 0.00 P H +ATOM 166 HG22 VAL 9 12.744 -8.909 -7.551 0.00 0.00 P H +ATOM 167 HG23 VAL 9 11.244 -8.339 -6.711 0.00 0.00 P H +ATOM 168 C VAL 9 14.074 -11.059 -4.211 0.00 0.00 P C +ATOM 169 O VAL 9 13.434 -12.139 -4.281 0.00 0.00 P O +ATOM 170 N LYS 10 14.734 -10.649 -3.121 0.00 0.00 P N +ATOM 171 HN LYS 10 15.274 -9.819 -3.111 0.00 0.00 P H +ATOM 172 CA LYS 10 14.894 -11.499 -1.981 0.00 0.00 P C +ATOM 173 HA LYS 10 14.054 -12.169 -1.811 0.00 0.00 P H +ATOM 174 CB LYS 10 16.134 -12.379 -2.201 0.00 0.00 P C +ATOM 175 HB1 LYS 10 16.114 -13.409 -1.791 0.00 0.00 P H +ATOM 176 HB2 LYS 10 16.114 -12.619 -3.291 0.00 0.00 P H +ATOM 177 CG LYS 10 17.604 -11.799 -1.901 0.00 0.00 P C +ATOM 178 HG1 LYS 10 17.674 -10.859 -2.491 0.00 0.00 P H +ATOM 179 HG2 LYS 10 17.414 -11.599 -0.831 0.00 0.00 P H +ATOM 180 CD LYS 10 18.714 -12.809 -2.331 0.00 0.00 P C +ATOM 181 HD1 LYS 10 18.454 -13.689 -1.701 0.00 0.00 P H +ATOM 182 HD2 LYS 10 18.574 -13.059 -3.401 0.00 0.00 P H +ATOM 183 CE LYS 10 20.064 -12.299 -1.961 0.00 0.00 P C +ATOM 184 HE1 LYS 10 20.244 -11.269 -2.351 0.00 0.00 P H +ATOM 185 HE2 LYS 10 20.434 -12.249 -0.921 0.00 0.00 P H +ATOM 186 NZ LYS 10 21.054 -13.269 -2.551 0.00 0.00 P N +ATOM 187 HZ1 LYS 10 21.884 -12.719 -2.861 0.00 0.00 P H +ATOM 188 HZ2 LYS 10 21.304 -13.989 -1.851 0.00 0.00 P H +ATOM 189 HZ3 LYS 10 20.734 -13.809 -3.381 0.00 0.00 P H +ATOM 190 C LYS 10 15.034 -10.789 -0.671 0.00 0.00 P C +ATOM 191 O LYS 10 15.454 -9.599 -0.601 0.00 0.00 P O +ATOM 192 N GLY 11 14.694 -11.429 0.369 0.00 0.00 P N +ATOM 193 HN GLY 11 14.524 -12.349 0.029 0.00 0.00 P H +ATOM 194 CA GLY 11 14.524 -11.039 1.729 0.00 0.00 P C +ATOM 195 HA1 GLY 11 14.774 -11.939 2.269 0.00 0.00 P H +ATOM 196 HA2 GLY 11 15.284 -10.289 1.909 0.00 0.00 P H +ATOM 197 C GLY 11 13.194 -10.549 2.129 0.00 0.00 P C +ATOM 198 O GLY 11 12.604 -9.539 1.559 0.00 0.00 P O +ATOM 199 N MET 12 12.694 -10.939 3.269 0.00 0.00 P N +ATOM 200 HN MET 12 13.104 -11.829 3.459 0.00 0.00 P H +ATOM 201 CA MET 12 11.384 -10.619 3.699 0.00 0.00 P C +ATOM 202 HA MET 12 10.714 -10.399 2.879 0.00 0.00 P H +ATOM 203 CB MET 12 10.614 -11.679 4.489 0.00 0.00 P C +ATOM 204 HB1 MET 12 10.514 -12.569 3.829 0.00 0.00 P H +ATOM 205 HB2 MET 12 11.144 -12.079 5.379 0.00 0.00 P H +ATOM 206 CG MET 12 9.104 -11.469 4.939 0.00 0.00 P C +ATOM 207 HG1 MET 12 8.934 -12.429 5.459 0.00 0.00 P H +ATOM 208 HG2 MET 12 9.064 -10.709 5.749 0.00 0.00 P H +ATOM 209 SD MET 12 7.874 -11.019 3.679 0.00 0.00 P S +ATOM 210 CE MET 12 6.514 -10.339 4.719 0.00 0.00 P C +ATOM 211 HE1 MET 12 5.564 -10.259 4.159 0.00 0.00 P H +ATOM 212 HE2 MET 12 6.574 -11.039 5.579 0.00 0.00 P H +ATOM 213 HE3 MET 12 6.694 -9.279 4.979 0.00 0.00 P H +ATOM 214 C MET 12 11.384 -9.259 4.449 0.00 0.00 P C +ATOM 215 O MET 12 12.024 -9.199 5.489 0.00 0.00 P O +ATOM 216 N GLY 13 10.764 -8.289 3.949 0.00 0.00 P N +ATOM 217 HN GLY 13 10.444 -8.149 3.019 0.00 0.00 P H +ATOM 218 CA GLY 13 10.404 -7.049 4.819 0.00 0.00 P C +ATOM 219 HA1 GLY 13 11.274 -7.019 5.459 0.00 0.00 P H +ATOM 220 HA2 GLY 13 10.524 -6.219 4.139 0.00 0.00 P H +ATOM 221 C GLY 13 9.264 -6.909 5.559 0.00 0.00 P C +ATOM 222 O GLY 13 8.614 -7.839 6.109 0.00 0.00 P O +ATOM 223 N LYS 14 8.844 -5.609 5.749 0.00 0.00 P N +ATOM 224 HN LYS 14 9.474 -4.899 5.439 0.00 0.00 P H +ATOM 225 CA LYS 14 7.574 -5.409 6.409 0.00 0.00 P C +ATOM 226 HA LYS 14 6.984 -6.309 6.469 0.00 0.00 P H +ATOM 227 CB LYS 14 7.394 -4.589 7.759 0.00 0.00 P C +ATOM 228 HB1 LYS 14 7.874 -3.629 7.489 0.00 0.00 P H +ATOM 229 HB2 LYS 14 6.394 -4.469 8.239 0.00 0.00 P H +ATOM 230 CG LYS 14 8.194 -5.019 9.049 0.00 0.00 P C +ATOM 231 HG1 LYS 14 7.964 -6.099 9.209 0.00 0.00 P H +ATOM 232 HG2 LYS 14 9.304 -4.969 9.009 0.00 0.00 P H +ATOM 233 CD LYS 14 7.694 -4.379 10.309 0.00 0.00 P C +ATOM 234 HD1 LYS 14 8.474 -4.249 11.089 0.00 0.00 P H +ATOM 235 HD2 LYS 14 7.514 -3.299 10.139 0.00 0.00 P H +ATOM 236 CE LYS 14 6.344 -5.059 10.739 0.00 0.00 P C +ATOM 237 HE1 LYS 14 5.474 -4.859 10.079 0.00 0.00 P H +ATOM 238 HE2 LYS 14 6.624 -6.129 10.799 0.00 0.00 P H +ATOM 239 NZ LYS 14 5.924 -4.849 12.189 0.00 0.00 P N +ATOM 240 HZ1 LYS 14 6.034 -3.859 12.509 0.00 0.00 P H +ATOM 241 HZ2 LYS 14 4.924 -5.149 12.229 0.00 0.00 P H +ATOM 242 HZ3 LYS 14 6.664 -5.349 12.719 0.00 0.00 P H +ATOM 243 C LYS 14 6.624 -4.739 5.369 0.00 0.00 P C +ATOM 244 O LYS 14 5.734 -3.909 5.799 0.00 0.00 P O +ATOM 245 N LYS 15 6.794 -4.969 4.079 0.00 0.00 P N +ATOM 246 HN LYS 15 7.384 -5.719 3.799 0.00 0.00 P H +ATOM 247 CA LYS 15 6.034 -4.309 2.989 0.00 0.00 P C +ATOM 248 HA LYS 15 5.544 -3.409 3.349 0.00 0.00 P H +ATOM 249 CB LYS 15 7.054 -3.949 1.889 0.00 0.00 P C +ATOM 250 HB1 LYS 15 7.774 -4.739 1.569 0.00 0.00 P H +ATOM 251 HB2 LYS 15 6.454 -3.419 1.119 0.00 0.00 P H +ATOM 252 CG LYS 15 8.114 -2.809 2.419 0.00 0.00 P C +ATOM 253 HG1 LYS 15 8.804 -3.359 3.099 0.00 0.00 P H +ATOM 254 HG2 LYS 15 8.634 -2.659 1.459 0.00 0.00 P H +ATOM 255 CD LYS 15 7.584 -1.599 3.189 0.00 0.00 P C +ATOM 256 HD1 LYS 15 7.164 -1.889 4.169 0.00 0.00 P H +ATOM 257 HD2 LYS 15 8.484 -1.019 3.479 0.00 0.00 P H +ATOM 258 CE LYS 15 6.734 -0.729 2.239 0.00 0.00 P C +ATOM 259 HE1 LYS 15 7.314 -0.529 1.309 0.00 0.00 P H +ATOM 260 HE2 LYS 15 5.724 -1.179 2.219 0.00 0.00 P H +ATOM 261 NZ LYS 15 6.404 0.521 2.779 0.00 0.00 P N +ATOM 262 HZ1 LYS 15 5.824 0.521 3.649 0.00 0.00 P H +ATOM 263 HZ2 LYS 15 7.244 1.071 3.019 0.00 0.00 P H +ATOM 264 HZ3 LYS 15 5.914 1.041 2.029 0.00 0.00 P H +ATOM 265 C LYS 15 4.884 -5.249 2.419 0.00 0.00 P C +ATOM 266 O LYS 15 4.984 -6.459 2.369 0.00 0.00 P O +ATOM 267 N GLY 16 3.844 -4.529 1.959 0.00 0.00 P N +ATOM 268 HN GLY 16 3.674 -3.579 2.179 0.00 0.00 P H +ATOM 269 CA GLY 16 2.574 -5.129 1.489 0.00 0.00 P C +ATOM 270 HA1 GLY 16 1.964 -4.409 0.969 0.00 0.00 P H +ATOM 271 HA2 GLY 16 2.844 -6.039 0.959 0.00 0.00 P H +ATOM 272 C GLY 16 1.844 -5.679 2.579 0.00 0.00 P C +ATOM 273 O GLY 16 1.424 -4.779 3.369 0.00 0.00 P O +ATOM 274 N GLU 17 1.664 -7.039 2.679 0.00 0.00 P N +ATOM 275 HN GLU 17 1.964 -7.619 1.929 0.00 0.00 P H +ATOM 276 CA GLU 17 0.664 -7.589 3.619 0.00 0.00 P C +ATOM 277 HA GLU 17 -0.226 -7.009 3.479 0.00 0.00 P H +ATOM 278 CB GLU 17 0.364 -9.129 3.379 0.00 0.00 P C +ATOM 279 HB1 GLU 17 1.394 -9.519 3.499 0.00 0.00 P H +ATOM 280 HB2 GLU 17 -0.296 -9.599 4.139 0.00 0.00 P H +ATOM 281 CG GLU 17 -0.236 -9.489 1.899 0.00 0.00 P C +ATOM 282 HG1 GLU 17 -0.626 -8.629 1.329 0.00 0.00 P H +ATOM 283 HG2 GLU 17 0.584 -9.859 1.239 0.00 0.00 P H +ATOM 284 CD GLU 17 -1.416 -10.529 1.859 0.00 0.00 P C +ATOM 285 OE1 GLU 17 -2.466 -10.119 2.399 0.00 0.00 P O +ATOM 286 OE2 GLU 17 -1.326 -11.669 1.279 0.00 0.00 P O +ATOM 287 C GLU 17 1.064 -7.529 5.169 0.00 0.00 P C +ATOM 288 O GLU 17 1.194 -8.509 5.839 0.00 0.00 P O +ATOM 289 N ILE 18 1.174 -6.269 5.769 0.00 0.00 P N +ATOM 290 HN ILE 18 1.034 -5.459 5.209 0.00 0.00 P H +ATOM 291 CA ILE 18 1.414 -6.079 7.169 0.00 0.00 P C +ATOM 292 HA ILE 18 2.424 -6.459 7.279 0.00 0.00 P H +ATOM 293 CB ILE 18 1.404 -4.559 7.579 0.00 0.00 P C +ATOM 294 HB ILE 18 0.384 -4.099 7.569 0.00 0.00 P H +ATOM 295 CG2 ILE 18 1.844 -4.279 9.059 0.00 0.00 P C +ATOM 296 HG21 ILE 18 2.884 -4.619 9.209 0.00 0.00 P H +ATOM 297 HG22 ILE 18 1.774 -3.179 9.249 0.00 0.00 P H +ATOM 298 HG23 ILE 18 1.234 -4.779 9.839 0.00 0.00 P H +ATOM 299 CG1 ILE 18 2.454 -3.759 6.729 0.00 0.00 P C +ATOM 300 HG11 ILE 18 3.474 -4.169 6.539 0.00 0.00 P H +ATOM 301 HG12 ILE 18 1.834 -3.739 5.809 0.00 0.00 P H +ATOM 302 CD ILE 18 2.604 -2.289 6.999 0.00 0.00 P C +ATOM 303 HD1 ILE 18 3.224 -2.029 7.879 0.00 0.00 P H +ATOM 304 HD2 ILE 18 2.954 -1.759 6.099 0.00 0.00 P H +ATOM 305 HD3 ILE 18 1.624 -1.799 7.219 0.00 0.00 P H +ATOM 306 C ILE 18 0.384 -6.779 8.089 0.00 0.00 P C +ATOM 307 O ILE 18 0.804 -7.489 8.999 0.00 0.00 P O +ATOM 308 N LYS 19 -0.896 -6.509 7.839 0.00 0.00 P N +ATOM 309 HN LYS 19 -1.206 -5.939 7.079 0.00 0.00 P H +ATOM 310 CA LYS 19 -2.026 -7.199 8.629 0.00 0.00 P C +ATOM 311 HA LYS 19 -1.946 -8.249 8.859 0.00 0.00 P H +ATOM 312 CB LYS 19 -2.126 -6.449 9.949 0.00 0.00 P C +ATOM 313 HB1 LYS 19 -2.896 -6.939 10.579 0.00 0.00 P H +ATOM 314 HB2 LYS 19 -1.166 -6.659 10.469 0.00 0.00 P H +ATOM 315 CG LYS 19 -2.426 -4.999 9.719 0.00 0.00 P C +ATOM 316 HG1 LYS 19 -1.716 -4.279 10.179 0.00 0.00 P H +ATOM 317 HG2 LYS 19 -2.676 -4.699 8.679 0.00 0.00 P H +ATOM 318 CD LYS 19 -3.766 -4.559 10.449 0.00 0.00 P C +ATOM 319 HD1 LYS 19 -4.516 -5.319 10.129 0.00 0.00 P H +ATOM 320 HD2 LYS 19 -3.556 -4.599 11.539 0.00 0.00 P H +ATOM 321 CE LYS 19 -4.386 -3.099 10.169 0.00 0.00 P C +ATOM 322 HE1 LYS 19 -3.576 -2.469 10.579 0.00 0.00 P H +ATOM 323 HE2 LYS 19 -4.446 -2.929 9.079 0.00 0.00 P H +ATOM 324 NZ LYS 19 -5.486 -2.719 11.019 0.00 0.00 P N +ATOM 325 HZ1 LYS 19 -5.416 -3.339 11.849 0.00 0.00 P H +ATOM 326 HZ2 LYS 19 -5.666 -1.749 11.339 0.00 0.00 P H +ATOM 327 HZ3 LYS 19 -6.386 -2.999 10.579 0.00 0.00 P H +ATOM 328 C LYS 19 -3.326 -7.059 7.789 0.00 0.00 P C +ATOM 329 O LYS 19 -3.476 -6.189 6.849 0.00 0.00 P O +ATOM 330 N ASN 20 -4.316 -7.999 8.059 0.00 0.00 P N +ATOM 331 HN ASN 20 -4.036 -8.769 8.619 0.00 0.00 P H +ATOM 332 CA ASN 20 -5.646 -7.839 7.509 0.00 0.00 P C +ATOM 333 HA ASN 20 -5.786 -7.159 6.679 0.00 0.00 P H +ATOM 334 CB ASN 20 -6.096 -9.209 7.029 0.00 0.00 P C +ATOM 335 HB1 ASN 20 -5.906 -10.049 7.729 0.00 0.00 P H +ATOM 336 HB2 ASN 20 -7.146 -9.119 6.689 0.00 0.00 P H +ATOM 337 CG ASN 20 -5.316 -9.629 5.759 0.00 0.00 P C +ATOM 338 OD1 ASN 20 -4.826 -10.729 5.719 0.00 0.00 P O +ATOM 339 ND2 ASN 20 -5.286 -8.769 4.659 0.00 0.00 P N +ATOM 340 HD21 ASN 20 -5.146 -9.219 3.779 0.00 0.00 P H +ATOM 341 HD22 ASN 20 -5.736 -7.879 4.619 0.00 0.00 P H +ATOM 342 C ASN 20 -6.676 -7.409 8.479 0.00 0.00 P C +ATOM 343 O ASN 20 -7.776 -7.089 8.059 0.00 0.00 P O +ATOM 344 N VAL 21 -6.396 -7.519 9.819 0.00 0.00 P N +ATOM 345 HN VAL 21 -5.456 -7.749 10.079 0.00 0.00 P H +ATOM 346 CA VAL 21 -7.396 -7.179 10.879 0.00 0.00 P C +ATOM 347 HA VAL 21 -8.236 -7.709 10.449 0.00 0.00 P H +ATOM 348 CB VAL 21 -6.826 -7.749 12.239 0.00 0.00 P C +ATOM 349 HB VAL 21 -7.286 -7.259 13.129 0.00 0.00 P H +ATOM 350 CG1 VAL 21 -7.046 -9.329 12.169 0.00 0.00 P C +ATOM 351 HG11 VAL 21 -6.856 -9.759 13.169 0.00 0.00 P H +ATOM 352 HG12 VAL 21 -8.106 -9.449 11.849 0.00 0.00 P H +ATOM 353 HG13 VAL 21 -6.266 -9.659 11.459 0.00 0.00 P H +ATOM 354 CG2 VAL 21 -5.396 -7.379 12.359 0.00 0.00 P C +ATOM 355 HG21 VAL 21 -4.756 -8.079 11.779 0.00 0.00 P H +ATOM 356 HG22 VAL 21 -5.166 -6.319 12.149 0.00 0.00 P H +ATOM 357 HG23 VAL 21 -5.016 -7.439 13.399 0.00 0.00 P H +ATOM 358 C VAL 21 -7.846 -5.759 10.999 0.00 0.00 P C +ATOM 359 O VAL 21 -7.276 -4.869 10.339 0.00 0.00 P O +ATOM 360 N ALA 22 -8.906 -5.519 11.769 0.00 0.00 P N +ATOM 361 HN ALA 22 -9.416 -6.289 12.149 0.00 0.00 P H +ATOM 362 CA ALA 22 -9.436 -4.259 12.089 0.00 0.00 P C +ATOM 363 HA ALA 22 -9.466 -3.719 11.149 0.00 0.00 P H +ATOM 364 CB ALA 22 -10.846 -4.299 12.609 0.00 0.00 P C +ATOM 365 HB1 ALA 22 -11.416 -5.199 12.319 0.00 0.00 P H +ATOM 366 HB2 ALA 22 -10.926 -4.419 13.709 0.00 0.00 P H +ATOM 367 HB3 ALA 22 -11.456 -3.459 12.209 0.00 0.00 P H +ATOM 368 C ALA 22 -8.466 -3.409 12.959 0.00 0.00 P C +ATOM 369 O ALA 22 -7.546 -3.889 13.539 0.00 0.00 P O +ATOM 370 N ASP 23 -8.686 -2.039 13.069 0.00 0.00 P N +ATOM 371 HN ASP 23 -9.316 -1.559 12.459 0.00 0.00 P H +ATOM 372 CA ASP 23 -7.826 -1.369 14.089 0.00 0.00 P C +ATOM 373 HA ASP 23 -6.826 -1.749 14.249 0.00 0.00 P H +ATOM 374 CB ASP 23 -7.666 0.171 13.739 0.00 0.00 P C +ATOM 375 HB1 ASP 23 -8.616 0.651 13.409 0.00 0.00 P H +ATOM 376 HB2 ASP 23 -7.266 0.821 14.549 0.00 0.00 P H +ATOM 377 CG ASP 23 -6.646 0.421 12.579 0.00 0.00 P C +ATOM 378 OD1 ASP 23 -5.826 -0.519 12.269 0.00 0.00 P O +ATOM 379 OD2 ASP 23 -6.666 1.551 12.069 0.00 0.00 P O +ATOM 380 C ASP 23 -8.396 -1.479 15.489 0.00 0.00 P C +ATOM 381 O ASP 23 -7.666 -1.829 16.409 0.00 0.00 P O +ATOM 382 N GLY 24 -9.696 -1.199 15.609 0.00 0.00 P N +ATOM 383 HN GLY 24 -10.176 -0.789 14.839 0.00 0.00 P H +ATOM 384 CA GLY 24 -10.556 -1.289 16.809 0.00 0.00 P C +ATOM 385 HA1 GLY 24 -10.096 -1.689 17.699 0.00 0.00 P H +ATOM 386 HA2 GLY 24 -10.936 -0.309 17.049 0.00 0.00 P H +ATOM 387 C GLY 24 -11.786 -2.189 16.479 0.00 0.00 P C +ATOM 388 O GLY 24 -11.706 -3.229 15.859 0.00 0.00 P O +ATOM 389 N TYR 25 -12.876 -1.749 16.969 0.00 0.00 P N +ATOM 390 HN TYR 25 -12.906 -0.929 17.539 0.00 0.00 P H +ATOM 391 CA TYR 25 -14.016 -2.539 16.979 0.00 0.00 P C +ATOM 392 HA TYR 25 -13.776 -3.589 16.909 0.00 0.00 P H +ATOM 393 CB TYR 25 -14.736 -2.439 18.329 0.00 0.00 P C +ATOM 394 HB1 TYR 25 -15.006 -1.359 18.359 0.00 0.00 P H +ATOM 395 HB2 TYR 25 -15.656 -3.049 18.499 0.00 0.00 P H +ATOM 396 CG TYR 25 -13.796 -2.569 19.509 0.00 0.00 P C +ATOM 397 CD1 TYR 25 -13.666 -3.879 20.169 0.00 0.00 P C +ATOM 398 HD1 TYR 25 -13.996 -4.849 19.809 0.00 0.00 P H +ATOM 399 CE1 TYR 25 -13.176 -4.079 21.419 0.00 0.00 P C +ATOM 400 HE1 TYR 25 -13.346 -5.029 21.899 0.00 0.00 P H +ATOM 401 CZ TYR 25 -12.656 -2.939 22.049 0.00 0.00 P C +ATOM 402 OH TYR 25 -12.066 -3.249 23.349 0.00 0.00 P O +ATOM 403 HH TYR 25 -11.546 -2.489 23.609 0.00 0.00 P H +ATOM 404 CD2 TYR 25 -13.306 -1.489 20.289 0.00 0.00 P C +ATOM 405 HD2 TYR 25 -13.306 -0.499 19.869 0.00 0.00 P H +ATOM 406 CE2 TYR 25 -12.496 -1.689 21.469 0.00 0.00 P C +ATOM 407 HE2 TYR 25 -12.136 -0.859 22.069 0.00 0.00 P H +ATOM 408 C TYR 25 -14.956 -2.079 15.809 0.00 0.00 P C +ATOM 409 O TYR 25 -16.146 -1.959 15.629 0.00 0.00 P O +ATOM 410 N ALA 26 -14.206 -1.549 14.799 0.00 0.00 P N +ATOM 411 HN ALA 26 -13.216 -1.599 14.759 0.00 0.00 P H +ATOM 412 CA ALA 26 -14.716 -1.239 13.519 0.00 0.00 P C +ATOM 413 HA ALA 26 -15.076 -2.149 13.069 0.00 0.00 P H +ATOM 414 CB ALA 26 -15.756 -0.009 13.379 0.00 0.00 P C +ATOM 415 HB1 ALA 26 -16.656 -0.369 12.839 0.00 0.00 P H +ATOM 416 HB2 ALA 26 -16.016 0.321 14.409 0.00 0.00 P H +ATOM 417 HB3 ALA 26 -15.226 0.871 12.949 0.00 0.00 P H +ATOM 418 C ALA 26 -13.396 -1.109 12.689 0.00 0.00 P C +ATOM 419 O ALA 26 -12.286 -1.219 13.149 0.00 0.00 P O +ATOM 420 N ASN 27 -13.406 -0.999 11.349 0.00 0.00 P N +ATOM 421 HN ASN 27 -14.246 -0.659 10.939 0.00 0.00 P H +ATOM 422 CA ASN 27 -12.176 -1.139 10.519 0.00 0.00 P C +ATOM 423 HA ASN 27 -11.566 -1.899 10.989 0.00 0.00 P H +ATOM 424 CB ASN 27 -12.576 -1.539 9.129 0.00 0.00 P C +ATOM 425 HB1 ASN 27 -11.576 -1.749 8.679 0.00 0.00 P H +ATOM 426 HB2 ASN 27 -13.156 -2.489 9.159 0.00 0.00 P H +ATOM 427 CG ASN 27 -13.416 -0.419 8.339 0.00 0.00 P C +ATOM 428 OD1 ASN 27 -13.626 0.661 8.739 0.00 0.00 P O +ATOM 429 ND2 ASN 27 -13.876 -0.759 7.099 0.00 0.00 P N +ATOM 430 HD21 ASN 27 -13.366 -1.459 6.599 0.00 0.00 P H +ATOM 431 HD22 ASN 27 -14.556 -0.219 6.609 0.00 0.00 P H +ATOM 432 C ASN 27 -11.306 0.251 10.539 0.00 0.00 P C +ATOM 433 O ASN 27 -10.166 0.161 10.149 0.00 0.00 P O +ATOM 434 N ASN 28 -11.866 1.501 10.979 0.00 0.00 P N +ATOM 435 HN ASN 28 -12.736 1.341 11.429 0.00 0.00 P H +ATOM 436 CA ASN 28 -11.186 2.731 11.309 0.00 0.00 P C +ATOM 437 HA ASN 28 -11.926 3.431 11.659 0.00 0.00 P H +ATOM 438 CB ASN 28 -10.136 2.471 12.349 0.00 0.00 P C +ATOM 439 HB1 ASN 28 -10.686 1.871 13.109 0.00 0.00 P H +ATOM 440 HB2 ASN 28 -9.406 1.891 11.739 0.00 0.00 P H +ATOM 441 CG ASN 28 -9.596 3.711 12.909 0.00 0.00 P C +ATOM 442 OD1 ASN 28 -10.136 4.821 12.859 0.00 0.00 P O +ATOM 443 ND2 ASN 28 -8.316 3.651 13.309 0.00 0.00 P N +ATOM 444 HD21 ASN 28 -7.986 4.261 14.029 0.00 0.00 P H +ATOM 445 HD22 ASN 28 -7.686 2.981 12.919 0.00 0.00 P H +ATOM 446 C ASN 28 -10.656 3.481 9.999 0.00 0.00 P C +ATOM 447 O ASN 28 -9.746 4.251 9.969 0.00 0.00 P O +ATOM 448 N PHE 29 -11.386 3.201 8.929 0.00 0.00 P N +ATOM 449 HN PHE 29 -12.256 2.721 9.029 0.00 0.00 P H +ATOM 450 CA PHE 29 -10.966 3.561 7.579 0.00 0.00 P C +ATOM 451 HA PHE 29 -10.036 4.111 7.589 0.00 0.00 P H +ATOM 452 CB PHE 29 -10.966 2.261 6.639 0.00 0.00 P C +ATOM 453 HB1 PHE 29 -10.246 1.591 7.169 0.00 0.00 P H +ATOM 454 HB2 PHE 29 -11.956 1.781 6.479 0.00 0.00 P H +ATOM 455 CG PHE 29 -10.366 2.291 5.289 0.00 0.00 P C +ATOM 456 CD1 PHE 29 -9.376 3.331 5.169 0.00 0.00 P C +ATOM 457 HD1 PHE 29 -9.076 4.091 5.869 0.00 0.00 P H +ATOM 458 CE1 PHE 29 -8.696 3.241 3.929 0.00 0.00 P C +ATOM 459 HE1 PHE 29 -7.826 3.851 3.759 0.00 0.00 P H +ATOM 460 CZ PHE 29 -8.936 2.421 2.859 0.00 0.00 P C +ATOM 461 HZ PHE 29 -8.396 2.751 1.989 0.00 0.00 P H +ATOM 462 CD2 PHE 29 -10.676 1.451 4.249 0.00 0.00 P C +ATOM 463 HD2 PHE 29 -11.366 0.661 4.499 0.00 0.00 P H +ATOM 464 CE2 PHE 29 -10.026 1.531 2.999 0.00 0.00 P C +ATOM 465 HE2 PHE 29 -10.176 0.831 2.189 0.00 0.00 P H +ATOM 466 C PHE 29 -12.046 4.521 7.089 0.00 0.00 P C +ATOM 467 O PHE 29 -13.036 4.171 6.419 0.00 0.00 P O +ATOM 468 N LEU 30 -11.886 5.791 7.509 0.00 0.00 P N +ATOM 469 HN LEU 30 -11.196 6.121 8.149 0.00 0.00 P H +ATOM 470 CA LEU 30 -12.656 6.861 6.909 0.00 0.00 P C +ATOM 471 HA LEU 30 -13.186 6.521 6.039 0.00 0.00 P H +ATOM 472 CB LEU 30 -13.686 7.371 7.959 0.00 0.00 P C +ATOM 473 HB1 LEU 30 -13.546 6.791 8.899 0.00 0.00 P H +ATOM 474 HB2 LEU 30 -13.536 8.451 8.189 0.00 0.00 P H +ATOM 475 CG LEU 30 -15.056 7.181 7.549 0.00 0.00 P C +ATOM 476 HG LEU 30 -15.086 6.071 7.499 0.00 0.00 P H +ATOM 477 CD1 LEU 30 -16.056 7.641 8.619 0.00 0.00 P C +ATOM 478 HD11 LEU 30 -15.906 8.741 8.589 0.00 0.00 P H +ATOM 479 HD12 LEU 30 -17.066 7.271 8.339 0.00 0.00 P H +ATOM 480 HD13 LEU 30 -15.766 7.221 9.599 0.00 0.00 P H +ATOM 481 CD2 LEU 30 -15.486 7.771 6.209 0.00 0.00 P C +ATOM 482 HD21 LEU 30 -16.346 7.171 5.859 0.00 0.00 P H +ATOM 483 HD22 LEU 30 -15.816 8.821 6.389 0.00 0.00 P H +ATOM 484 HD23 LEU 30 -14.626 7.671 5.509 0.00 0.00 P H +ATOM 485 C LEU 30 -11.566 7.981 6.469 0.00 0.00 P C +ATOM 486 O LEU 30 -10.416 8.071 6.949 0.00 0.00 P O +ATOM 487 N PHE 31 -12.086 8.881 5.519 0.00 0.00 P N +ATOM 488 HN PHE 31 -13.036 8.841 5.199 0.00 0.00 P H +ATOM 489 CA PHE 31 -11.436 10.081 4.949 0.00 0.00 P C +ATOM 490 HA PHE 31 -10.406 9.821 5.129 0.00 0.00 P H +ATOM 491 CB PHE 31 -11.746 10.201 3.389 0.00 0.00 P C +ATOM 492 HB1 PHE 31 -11.316 11.101 2.889 0.00 0.00 P H +ATOM 493 HB2 PHE 31 -11.436 9.201 3.009 0.00 0.00 P H +ATOM 494 CG PHE 31 -13.216 10.301 3.099 0.00 0.00 P C +ATOM 495 CD1 PHE 31 -13.846 11.531 3.129 0.00 0.00 P C +ATOM 496 HD1 PHE 31 -13.216 12.401 3.049 0.00 0.00 P H +ATOM 497 CE1 PHE 31 -15.126 11.711 2.769 0.00 0.00 P C +ATOM 498 HE1 PHE 31 -15.566 12.691 2.849 0.00 0.00 P H +ATOM 499 CZ PHE 31 -15.906 10.631 2.689 0.00 0.00 P C +ATOM 500 HZ PHE 31 -16.976 10.731 2.689 0.00 0.00 P H +ATOM 501 CD2 PHE 31 -14.116 9.211 2.919 0.00 0.00 P C +ATOM 502 HD2 PHE 31 -13.856 8.171 2.979 0.00 0.00 P H +ATOM 503 CE2 PHE 31 -15.466 9.421 2.939 0.00 0.00 P C +ATOM 504 HE2 PHE 31 -16.116 8.571 2.869 0.00 0.00 P H +ATOM 505 C PHE 31 -11.806 11.391 5.759 0.00 0.00 P C +ATOM 506 O PHE 31 -12.706 11.521 6.499 0.00 0.00 P O +ATOM 507 N LYS 32 -11.076 12.511 5.629 0.00 0.00 P N +ATOM 508 HN LYS 32 -10.316 12.601 4.989 0.00 0.00 P H +ATOM 509 CA LYS 32 -11.416 13.731 6.309 0.00 0.00 P C +ATOM 510 HA LYS 32 -11.946 13.581 7.239 0.00 0.00 P H +ATOM 511 CB LYS 32 -10.206 14.651 6.539 0.00 0.00 P C +ATOM 512 HB1 LYS 32 -9.726 14.871 5.559 0.00 0.00 P H +ATOM 513 HB2 LYS 32 -10.606 15.611 6.929 0.00 0.00 P H +ATOM 514 CG LYS 32 -9.256 14.281 7.659 0.00 0.00 P C +ATOM 515 HG1 LYS 32 -9.896 14.201 8.569 0.00 0.00 P H +ATOM 516 HG2 LYS 32 -8.776 13.281 7.619 0.00 0.00 P H +ATOM 517 CD LYS 32 -8.146 15.181 7.779 0.00 0.00 P C +ATOM 518 HD1 LYS 32 -7.456 15.041 6.919 0.00 0.00 P H +ATOM 519 HD2 LYS 32 -8.646 16.171 7.689 0.00 0.00 P H +ATOM 520 CE LYS 32 -7.276 15.211 9.069 0.00 0.00 P C +ATOM 521 HE1 LYS 32 -6.976 14.151 9.209 0.00 0.00 P H +ATOM 522 HE2 LYS 32 -6.366 15.851 9.069 0.00 0.00 P H +ATOM 523 NZ LYS 32 -7.926 15.721 10.239 0.00 0.00 P N +ATOM 524 HZ1 LYS 32 -8.596 16.431 9.869 0.00 0.00 P H +ATOM 525 HZ2 LYS 32 -8.266 14.971 10.859 0.00 0.00 P H +ATOM 526 HZ3 LYS 32 -7.246 16.401 10.649 0.00 0.00 P H +ATOM 527 C LYS 32 -12.436 14.481 5.449 0.00 0.00 P C +ATOM 528 O LYS 32 -12.326 14.501 4.219 0.00 0.00 P O +ATOM 529 N GLN 33 -13.336 15.171 6.159 0.00 0.00 P N +ATOM 530 HN GLN 33 -13.506 14.901 7.109 0.00 0.00 P H +ATOM 531 CA GLN 33 -14.386 15.991 5.629 0.00 0.00 P C +ATOM 532 HA GLN 33 -14.636 16.601 6.479 0.00 0.00 P H +ATOM 533 CB GLN 33 -13.826 17.211 4.699 0.00 0.00 P C +ATOM 534 HB1 GLN 33 -12.986 16.791 4.119 0.00 0.00 P H +ATOM 535 HB2 GLN 33 -14.656 17.441 3.999 0.00 0.00 P H +ATOM 536 CG GLN 33 -13.316 18.561 5.459 0.00 0.00 P C +ATOM 537 HG1 GLN 33 -12.736 18.291 6.369 0.00 0.00 P H +ATOM 538 HG2 GLN 33 -12.646 19.041 4.719 0.00 0.00 P H +ATOM 539 CD GLN 33 -14.576 19.481 5.759 0.00 0.00 P C +ATOM 540 OE1 GLN 33 -15.666 19.051 6.149 0.00 0.00 P O +ATOM 541 NE2 GLN 33 -14.406 20.851 5.839 0.00 0.00 P N +ATOM 542 HE21 GLN 33 -14.926 21.581 6.289 0.00 0.00 P H +ATOM 543 HE22 GLN 33 -13.526 21.121 5.429 0.00 0.00 P H +ATOM 544 C GLN 33 -15.636 15.401 5.029 0.00 0.00 P C +ATOM 545 O GLN 33 -15.636 14.221 4.609 0.00 0.00 P O +ATOM 546 N GLY 34 -16.776 16.171 5.229 0.00 0.00 P N +ATOM 547 HN GLY 34 -16.786 17.081 5.609 0.00 0.00 P H +ATOM 548 CA GLY 34 -18.076 15.981 4.679 0.00 0.00 P C +ATOM 549 HA1 GLY 34 -18.326 15.041 5.149 0.00 0.00 P H +ATOM 550 HA2 GLY 34 -18.646 16.861 4.909 0.00 0.00 P H +ATOM 551 C GLY 34 -18.096 15.911 3.149 0.00 0.00 P C +ATOM 552 O GLY 34 -17.076 16.121 2.379 0.00 0.00 P O +ATOM 553 N LEU 35 -19.306 15.911 2.529 0.00 0.00 P N +ATOM 554 HN LEU 35 -20.226 15.781 2.899 0.00 0.00 P H +ATOM 555 CA LEU 35 -19.396 15.831 0.989 0.00 0.00 P C +ATOM 556 HA LEU 35 -18.536 16.421 0.719 0.00 0.00 P H +ATOM 557 CB LEU 35 -19.296 14.371 0.489 0.00 0.00 P C +ATOM 558 HB1 LEU 35 -19.046 14.281 -0.591 0.00 0.00 P H +ATOM 559 HB2 LEU 35 -18.416 13.931 1.009 0.00 0.00 P H +ATOM 560 CG LEU 35 -20.536 13.411 0.699 0.00 0.00 P C +ATOM 561 HG LEU 35 -21.066 13.751 1.609 0.00 0.00 P H +ATOM 562 CD1 LEU 35 -21.556 13.661 -0.531 0.00 0.00 P C +ATOM 563 HD11 LEU 35 -22.546 13.281 -0.211 0.00 0.00 P H +ATOM 564 HD12 LEU 35 -21.736 14.741 -0.721 0.00 0.00 P H +ATOM 565 HD13 LEU 35 -21.266 13.181 -1.491 0.00 0.00 P H +ATOM 566 CD2 LEU 35 -19.996 11.991 0.819 0.00 0.00 P C +ATOM 567 HD21 LEU 35 -19.586 11.781 1.829 0.00 0.00 P H +ATOM 568 HD22 LEU 35 -20.806 11.261 0.589 0.00 0.00 P H +ATOM 569 HD23 LEU 35 -19.176 11.941 0.069 0.00 0.00 P H +ATOM 570 C LEU 35 -20.726 16.611 0.539 0.00 0.00 P C +ATOM 571 O LEU 35 -21.716 16.641 1.129 0.00 0.00 P O +ATOM 572 N ALA 36 -20.496 17.441 -0.491 0.00 0.00 P N +ATOM 573 HN ALA 36 -19.616 17.361 -0.941 0.00 0.00 P H +ATOM 574 CA ALA 36 -21.526 18.451 -1.061 0.00 0.00 P C +ATOM 575 HA ALA 36 -22.536 18.151 -0.801 0.00 0.00 P H +ATOM 576 CB ALA 36 -21.336 19.851 -0.501 0.00 0.00 P C +ATOM 577 HB1 ALA 36 -20.366 20.351 -0.721 0.00 0.00 P H +ATOM 578 HB2 ALA 36 -22.186 20.531 -0.691 0.00 0.00 P H +ATOM 579 HB3 ALA 36 -21.306 19.651 0.599 0.00 0.00 P H +ATOM 580 C ALA 36 -21.316 18.511 -2.601 0.00 0.00 P C +ATOM 581 O ALA 36 -20.256 18.161 -3.151 0.00 0.00 P O +ATOM 582 N ILE 37 -22.226 19.221 -3.391 0.00 0.00 P N +ATOM 583 HN ILE 37 -22.996 19.671 -2.951 0.00 0.00 P H +ATOM 584 CA ILE 37 -22.196 19.111 -4.741 0.00 0.00 P C +ATOM 585 HA ILE 37 -21.816 18.171 -5.101 0.00 0.00 P H +ATOM 586 CB ILE 37 -23.526 19.071 -5.241 0.00 0.00 P C +ATOM 587 HB ILE 37 -24.126 18.231 -4.821 0.00 0.00 P H +ATOM 588 CG2 ILE 37 -24.236 20.361 -4.761 0.00 0.00 P C +ATOM 589 HG21 ILE 37 -25.256 20.281 -5.181 0.00 0.00 P H +ATOM 590 HG22 ILE 37 -24.446 20.251 -3.671 0.00 0.00 P H +ATOM 591 HG23 ILE 37 -23.636 21.251 -5.061 0.00 0.00 P H +ATOM 592 CG1 ILE 37 -23.536 18.731 -6.801 0.00 0.00 P C +ATOM 593 HG11 ILE 37 -22.956 19.491 -7.361 0.00 0.00 P H +ATOM 594 HG12 ILE 37 -22.966 17.781 -6.711 0.00 0.00 P H +ATOM 595 CD ILE 37 -24.866 18.381 -7.511 0.00 0.00 P C +ATOM 596 HD1 ILE 37 -25.506 19.211 -7.141 0.00 0.00 P H +ATOM 597 HD2 ILE 37 -24.706 18.261 -8.601 0.00 0.00 P H +ATOM 598 HD3 ILE 37 -25.216 17.411 -7.091 0.00 0.00 P H +ATOM 599 C ILE 37 -21.256 20.151 -5.321 0.00 0.00 P C +ATOM 600 O ILE 37 -20.966 21.211 -4.671 0.00 0.00 P O +ATOM 601 N GLU 38 -20.716 19.951 -6.581 0.00 0.00 P N +ATOM 602 HN GLU 38 -20.726 19.071 -7.051 0.00 0.00 P H +ATOM 603 CA GLU 38 -19.856 20.991 -7.131 0.00 0.00 P C +ATOM 604 HA GLU 38 -19.166 21.381 -6.391 0.00 0.00 P H +ATOM 605 CB GLU 38 -18.846 20.121 -8.111 0.00 0.00 P C +ATOM 606 HB1 GLU 38 -19.606 19.511 -8.651 0.00 0.00 P H +ATOM 607 HB2 GLU 38 -18.266 20.761 -8.811 0.00 0.00 P H +ATOM 608 CG GLU 38 -17.876 19.291 -7.251 0.00 0.00 P C +ATOM 609 HG1 GLU 38 -17.276 19.931 -6.571 0.00 0.00 P H +ATOM 610 HG2 GLU 38 -18.476 18.501 -6.741 0.00 0.00 P H +ATOM 611 CD GLU 38 -16.916 18.591 -8.091 0.00 0.00 P C +ATOM 612 OE1 GLU 38 -15.726 18.351 -7.681 0.00 0.00 P O +ATOM 613 OE2 GLU 38 -17.256 18.231 -9.301 0.00 0.00 P O +ATOM 614 C GLU 38 -20.636 22.011 -8.111 0.00 0.00 P C +ATOM 615 O GLU 38 -19.906 22.651 -8.841 0.00 0.00 P O +ATOM 616 N ALA 39 -21.926 22.131 -8.061 0.00 0.00 P N +ATOM 617 HN ALA 39 -22.416 21.631 -7.361 0.00 0.00 P H +ATOM 618 CA ALA 39 -22.626 22.891 -9.111 0.00 0.00 P C +ATOM 619 HA ALA 39 -21.976 23.361 -9.831 0.00 0.00 P H +ATOM 620 CB ALA 39 -23.696 21.981 -9.581 0.00 0.00 P C +ATOM 621 HB1 ALA 39 -23.216 21.351 -10.361 0.00 0.00 P H +ATOM 622 HB2 ALA 39 -24.276 21.221 -9.011 0.00 0.00 P H +ATOM 623 HB3 ALA 39 -24.376 22.621 -10.181 0.00 0.00 P H +ATOM 624 C ALA 39 -23.296 24.201 -8.451 0.00 0.00 P C +ATOM 625 O ALA 39 -23.476 24.271 -7.231 0.00 0.00 P O +ATOM 626 NT ALA 39 -23.606 25.231 -9.221 0.00 0.00 P N +ATOM 627 HNT ALA 39 -23.276 25.161 -10.151 0.00 0.00 P H +ATOM 628 CAT ALA 39 -24.526 26.241 -9.001 0.00 0.00 P C +ATOM 629 HT1 ALA 39 -24.426 26.621 -7.961 0.00 0.00 P H +ATOM 630 HT2 ALA 39 -24.316 27.181 -9.551 0.00 0.00 P H +ATOM 631 HT3 ALA 39 -25.606 26.031 -9.191 0.00 0.00 P H +TER +ATOM 632 OH2 TIP3 5 6.075 4.690 16.121 0.00 0.00 WT0 O +ATOM 633 H1 TIP3 5 6.385 5.600 16.111 0.00 0.00 WT0 H +ATOM 634 H2 TIP3 5 5.505 4.640 16.901 0.00 0.00 WT0 H +ATOM 635 OH2 TIP3 7 -5.934 -20.213 -20.475 0.00 0.00 WT0 O +ATOM 636 H1 TIP3 7 -6.494 -20.543 -21.175 0.00 0.00 WT0 H +ATOM 637 H2 TIP3 7 -5.734 -19.313 -20.725 0.00 0.00 WT0 H +ATOM 638 OH2 TIP3 8 11.016 2.140 3.422 0.00 0.00 WT0 O +ATOM 639 H1 TIP3 8 11.056 3.050 3.132 0.00 0.00 WT0 H +ATOM 640 H2 TIP3 8 11.786 1.720 3.032 0.00 0.00 WT0 H +ATOM 641 OH2 TIP3 15 -7.507 20.810 -23.407 0.00 0.00 WT0 O +ATOM 642 H1 TIP3 15 -8.047 21.430 -22.907 0.00 0.00 WT0 H +ATOM 643 H2 TIP3 15 -7.747 20.990 -24.317 0.00 0.00 WT0 H +ATOM 644 OH2 TIP3 21 5.465 -21.133 -10.987 0.00 0.00 WT0 O +ATOM 645 H1 TIP3 21 5.185 -21.083 -11.907 0.00 0.00 WT0 H +ATOM 646 H2 TIP3 21 6.005 -21.923 -10.937 0.00 0.00 WT0 H +ATOM 647 OH2 TIP3 26 -17.215 5.975 -5.913 0.00 0.00 WT0 O +ATOM 648 H1 TIP3 26 -16.665 5.195 -5.893 0.00 0.00 WT0 H +ATOM 649 H2 TIP3 26 -16.735 6.595 -6.463 0.00 0.00 WT0 H +ATOM 650 OH2 TIP3 29 16.717 -3.467 13.377 0.00 0.00 WT0 O +ATOM 651 H1 TIP3 29 16.027 -2.937 13.767 0.00 0.00 WT0 H +ATOM 652 H2 TIP3 29 17.207 -2.847 12.837 0.00 0.00 WT0 H +ATOM 653 OH2 TIP3 30 -18.636 -16.682 22.777 0.00 0.00 WT0 O +ATOM 654 H1 TIP3 30 -18.066 -17.392 23.077 0.00 0.00 WT0 H +ATOM 655 H2 TIP3 30 -18.036 -16.022 22.437 0.00 0.00 WT0 H +ATOM 656 OH2 TIP3 44 -8.772 22.888 8.408 0.00 0.00 WT0 O +ATOM 657 H1 TIP3 44 -8.562 22.658 7.508 0.00 0.00 WT0 H +ATOM 658 H2 TIP3 44 -8.822 23.848 8.408 0.00 0.00 WT0 H +ATOM 659 OH2 TIP3 46 -22.146 -19.185 -8.041 0.00 0.00 WT0 O +ATOM 660 H1 TIP3 46 -22.156 -18.385 -7.511 0.00 0.00 WT0 H +ATOM 661 H2 TIP3 46 -21.726 -19.845 -7.491 0.00 0.00 WT0 H +ATOM 662 OH2 TIP3 47 23.056 -6.814 -15.481 0.00 0.00 WT0 O +ATOM 663 H1 TIP3 47 23.286 -6.204 -16.181 0.00 0.00 WT0 H +ATOM 664 H2 TIP3 47 22.376 -6.364 -14.981 0.00 0.00 WT0 H +ATOM 665 OH2 TIP3 48 7.857 14.293 9.242 0.00 0.00 WT0 O +ATOM 666 H1 TIP3 48 7.977 14.263 10.192 0.00 0.00 WT0 H +ATOM 667 H2 TIP3 48 8.707 14.573 8.902 0.00 0.00 WT0 H +ATOM 668 OH2 TIP3 52 -20.904 4.416 21.622 0.00 0.00 WT0 O +ATOM 669 H1 TIP3 52 -21.434 3.796 22.122 0.00 0.00 WT0 H +ATOM 670 H2 TIP3 52 -20.544 3.896 20.902 0.00 0.00 WT0 H +ATOM 671 OH2 TIP3 53 -24.799 12.350 14.217 0.00 0.00 WT0 O +ATOM 672 H1 TIP3 53 -24.609 11.650 13.597 0.00 0.00 WT0 H +ATOM 673 H2 TIP3 53 -25.639 12.100 14.607 0.00 0.00 WT0 H +ATOM 674 OH2 TIP3 55 15.424 -9.144 5.331 0.00 0.00 WT0 O +ATOM 675 H1 TIP3 55 15.984 -9.624 5.941 0.00 0.00 WT0 H +ATOM 676 H2 TIP3 55 14.574 -9.114 5.771 0.00 0.00 WT0 H +ATOM 677 OH2 TIP3 56 23.590 11.313 -12.893 0.00 0.00 WT0 O +ATOM 678 H1 TIP3 56 23.880 10.613 -12.303 0.00 0.00 WT0 H +ATOM 679 H2 TIP3 56 24.300 11.953 -12.893 0.00 0.00 WT0 H +ATOM 680 OH2 TIP3 64 21.255 6.770 -6.802 0.00 0.00 WT0 O +ATOM 681 H1 TIP3 64 20.445 6.940 -7.272 0.00 0.00 WT0 H +ATOM 682 H2 TIP3 64 21.405 7.560 -6.282 0.00 0.00 WT0 H +ATOM 683 OH2 TIP3 67 9.147 -21.011 6.370 0.00 0.00 WT0 O +ATOM 684 H1 TIP3 67 9.827 -20.731 5.760 0.00 0.00 WT0 H +ATOM 685 H2 TIP3 67 8.927 -20.221 6.870 0.00 0.00 WT0 H +ATOM 686 OH2 TIP3 68 -4.429 13.775 -3.564 0.00 0.00 WT0 O +ATOM 687 H1 TIP3 68 -4.489 13.935 -4.504 0.00 0.00 WT0 H +ATOM 688 H2 TIP3 68 -4.139 14.615 -3.194 0.00 0.00 WT0 H +ATOM 689 OH2 TIP3 71 -19.280 -8.676 23.925 0.00 0.00 WT0 O +ATOM 690 H1 TIP3 71 -18.740 -8.566 23.145 0.00 0.00 WT0 H +ATOM 691 H2 TIP3 71 -18.860 -8.126 24.585 0.00 0.00 WT0 H +ATOM 692 OH2 TIP3 75 3.807 10.577 23.797 0.00 0.00 WT0 O +ATOM 693 H1 TIP3 75 3.827 11.157 23.037 0.00 0.00 WT0 H +ATOM 694 H2 TIP3 75 4.287 9.797 23.517 0.00 0.00 WT0 H +ATOM 695 OH2 TIP3 76 13.726 -25.101 22.196 0.00 0.00 WT0 O +ATOM 696 H1 TIP3 76 13.026 -24.531 22.516 0.00 0.00 WT0 H +ATOM 697 H2 TIP3 76 14.146 -24.601 21.506 0.00 0.00 WT0 H +ATOM 698 OH2 TIP3 86 -17.232 12.445 -16.859 0.00 0.00 WT0 O +ATOM 699 H1 TIP3 86 -17.052 11.605 -16.439 0.00 0.00 WT0 H +ATOM 700 H2 TIP3 86 -16.912 13.095 -16.229 0.00 0.00 WT0 H +ATOM 701 OH2 TIP3 87 -20.009 4.611 -10.669 0.00 0.00 WT0 O +ATOM 702 H1 TIP3 87 -20.369 4.891 -11.509 0.00 0.00 WT0 H +ATOM 703 H2 TIP3 87 -20.529 3.841 -10.429 0.00 0.00 WT0 H +ATOM 704 OH2 TIP3 88 14.507 -14.393 -5.809 0.00 0.00 WT0 O +ATOM 705 H1 TIP3 88 13.827 -14.723 -6.399 0.00 0.00 WT0 H +ATOM 706 H2 TIP3 88 14.037 -14.013 -5.069 0.00 0.00 WT0 H +ATOM 707 OH2 TIP3 90 -6.242 22.158 23.527 0.00 0.00 WT0 O +ATOM 708 H1 TIP3 90 -5.592 21.588 23.117 0.00 0.00 WT0 H +ATOM 709 H2 TIP3 90 -6.912 21.558 23.847 0.00 0.00 WT0 H +ATOM 710 OH2 TIP3 94 -25.016 -10.216 -0.753 0.00 0.00 WT0 O +ATOM 711 H1 TIP3 94 -24.606 -9.806 -1.513 0.00 0.00 WT0 H +ATOM 712 H2 TIP3 94 -25.026 -9.536 -0.083 0.00 0.00 WT0 H +ATOM 713 OH2 TIP3 95 24.621 -4.269 -0.279 0.00 0.00 WT0 O +ATOM 714 H1 TIP3 95 25.521 -4.229 0.051 0.00 0.00 WT0 H +ATOM 715 H2 TIP3 95 24.151 -3.609 0.231 0.00 0.00 WT0 H +ATOM 716 OH2 TIP3 97 -20.629 -21.368 -7.221 0.00 0.00 WT0 O +ATOM 717 H1 TIP3 97 -20.209 -20.828 -6.541 0.00 0.00 WT0 H +ATOM 718 H2 TIP3 97 -20.249 -22.238 -7.101 0.00 0.00 WT0 H +ATOM 719 OH2 TIP3 98 23.694 17.043 -0.733 0.00 0.00 WT0 O +ATOM 720 H1 TIP3 98 24.614 17.023 -0.983 0.00 0.00 WT0 H +ATOM 721 H2 TIP3 98 23.424 17.953 -0.863 0.00 0.00 WT0 H +ATOM 722 OH2 TIP3 99 -17.821 -3.107 13.656 0.00 0.00 WT0 O +ATOM 723 H1 TIP3 99 -18.081 -3.757 14.316 0.00 0.00 WT0 H +ATOM 724 H2 TIP3 99 -17.031 -2.697 14.016 0.00 0.00 WT0 H +ATOM 725 OH2 TIP3 108 3.680 2.896 23.179 0.00 0.00 WT0 O +ATOM 726 H1 TIP3 108 2.920 2.706 23.729 0.00 0.00 WT0 H +ATOM 727 H2 TIP3 108 4.290 2.186 23.359 0.00 0.00 WT0 H +ATOM 728 OH2 TIP3 111 -21.251 11.531 22.843 0.00 0.00 WT0 O +ATOM 729 H1 TIP3 111 -21.111 11.101 23.683 0.00 0.00 WT0 H +ATOM 730 H2 TIP3 111 -20.381 11.851 22.583 0.00 0.00 WT0 H +ATOM 731 OH2 TIP3 112 10.676 -6.405 -12.657 0.00 0.00 WT0 O +ATOM 732 H1 TIP3 112 11.496 -5.985 -12.407 0.00 0.00 WT0 H +ATOM 733 H2 TIP3 112 10.186 -5.725 -13.117 0.00 0.00 WT0 H +ATOM 734 OH2 TIP3 113 -11.760 -12.548 5.509 0.00 0.00 WT0 O +ATOM 735 H1 TIP3 113 -11.130 -13.208 5.239 0.00 0.00 WT0 H +ATOM 736 H2 TIP3 113 -11.730 -12.568 6.469 0.00 0.00 WT0 H +ATOM 737 OH2 TIP3 115 -23.046 -10.010 -23.676 0.00 0.00 WT0 O +ATOM 738 H1 TIP3 115 -23.316 -10.880 -23.356 0.00 0.00 WT0 H +ATOM 739 H2 TIP3 115 -22.156 -10.140 -23.996 0.00 0.00 WT0 H +ATOM 740 OH2 TIP3 116 -9.049 -12.987 0.906 0.00 0.00 WT0 O +ATOM 741 H1 TIP3 116 -8.969 -13.227 1.826 0.00 0.00 WT0 H +ATOM 742 H2 TIP3 116 -9.899 -13.337 0.646 0.00 0.00 WT0 H +ATOM 743 OH2 TIP3 123 4.364 21.707 24.509 0.00 0.00 WT0 O +ATOM 744 H1 TIP3 123 4.164 22.157 25.329 0.00 0.00 WT0 H +ATOM 745 H2 TIP3 123 5.284 21.907 24.349 0.00 0.00 WT0 H +ATOM 746 OH2 TIP3 125 -10.944 -9.340 15.416 0.00 0.00 WT0 O +ATOM 747 H1 TIP3 125 -11.834 -8.990 15.356 0.00 0.00 WT0 H +ATOM 748 H2 TIP3 125 -10.694 -9.190 16.326 0.00 0.00 WT0 H +ATOM 749 OH2 TIP3 129 20.846 -11.991 15.909 0.00 0.00 WT0 O +ATOM 750 H1 TIP3 129 20.546 -11.901 15.009 0.00 0.00 WT0 H +ATOM 751 H2 TIP3 129 20.626 -12.891 16.149 0.00 0.00 WT0 H +ATOM 752 OH2 TIP3 130 -13.849 24.981 4.625 0.00 0.00 WT0 O +ATOM 753 H1 TIP3 130 -13.399 25.731 4.225 0.00 0.00 WT0 H +ATOM 754 H2 TIP3 130 -13.499 24.941 5.515 0.00 0.00 WT0 H +ATOM 755 OH2 TIP3 133 2.373 -9.007 -3.800 0.00 0.00 WT0 O +ATOM 756 H1 TIP3 133 2.603 -9.137 -2.880 0.00 0.00 WT0 H +ATOM 757 H2 TIP3 133 3.073 -8.457 -4.140 0.00 0.00 WT0 H +ATOM 758 OH2 TIP3 134 22.620 13.696 3.202 0.00 0.00 WT0 O +ATOM 759 H1 TIP3 134 22.080 14.126 2.542 0.00 0.00 WT0 H +ATOM 760 H2 TIP3 134 22.490 12.756 3.052 0.00 0.00 WT0 H +ATOM 761 OH2 TIP3 135 15.319 16.352 -18.189 0.00 0.00 WT0 O +ATOM 762 H1 TIP3 135 14.689 16.862 -18.699 0.00 0.00 WT0 H +ATOM 763 H2 TIP3 135 14.819 16.032 -17.439 0.00 0.00 WT0 H +ATOM 764 OH2 TIP3 137 -3.234 -7.676 -21.111 0.00 0.00 WT0 O +ATOM 765 H1 TIP3 137 -2.454 -7.266 -21.471 0.00 0.00 WT0 H +ATOM 766 H2 TIP3 137 -3.614 -7.006 -20.541 0.00 0.00 WT0 H +ATOM 767 OH2 TIP3 145 9.529 -17.260 14.030 0.00 0.00 WT0 O +ATOM 768 H1 TIP3 145 10.069 -17.610 14.740 0.00 0.00 WT0 H +ATOM 769 H2 TIP3 145 8.709 -17.020 14.460 0.00 0.00 WT0 H +ATOM 770 OH2 TIP3 146 -23.941 -14.137 -10.765 0.00 0.00 WT0 O +ATOM 771 H1 TIP3 146 -23.351 -13.777 -10.105 0.00 0.00 WT0 H +ATOM 772 H2 TIP3 146 -23.641 -15.027 -10.905 0.00 0.00 WT0 H +ATOM 773 OH2 TIP3 149 -21.584 -4.765 15.412 0.00 0.00 WT0 O +ATOM 774 H1 TIP3 149 -21.444 -4.265 14.612 0.00 0.00 WT0 H +ATOM 775 H2 TIP3 149 -22.414 -5.225 15.272 0.00 0.00 WT0 H +ATOM 776 OH2 TIP3 150 -23.753 19.752 -18.188 0.00 0.00 WT0 O +ATOM 777 H1 TIP3 150 -23.723 19.252 -19.008 0.00 0.00 WT0 H +ATOM 778 H2 TIP3 150 -23.423 20.612 -18.428 0.00 0.00 WT0 H +ATOM 779 OH2 TIP3 152 -1.046 9.684 -4.611 0.00 0.00 WT0 O +ATOM 780 H1 TIP3 152 -0.856 10.624 -4.571 0.00 0.00 WT0 H +ATOM 781 H2 TIP3 152 -0.206 9.264 -4.451 0.00 0.00 WT0 H +ATOM 782 OH2 TIP3 153 21.584 14.734 5.334 0.00 0.00 WT0 O +ATOM 783 H1 TIP3 153 22.064 14.254 4.654 0.00 0.00 WT0 H +ATOM 784 H2 TIP3 153 21.774 15.654 5.144 0.00 0.00 WT0 H +ATOM 785 OH2 TIP3 155 22.358 8.675 9.220 0.00 0.00 WT0 O +ATOM 786 H1 TIP3 155 22.118 8.225 8.410 0.00 0.00 WT0 H +ATOM 787 H2 TIP3 155 22.708 7.985 9.780 0.00 0.00 WT0 H +ATOM 788 OH2 TIP3 156 25.036 -8.358 17.665 0.00 0.00 WT0 O +ATOM 789 H1 TIP3 156 24.316 -7.818 17.325 0.00 0.00 WT0 H +ATOM 790 H2 TIP3 156 24.606 -9.058 18.155 0.00 0.00 WT0 H +ATOM 791 OH2 TIP3 160 19.174 10.909 -13.044 0.00 0.00 WT0 O +ATOM 792 H1 TIP3 160 20.104 10.709 -12.904 0.00 0.00 WT0 H +ATOM 793 H2 TIP3 160 19.174 11.569 -13.744 0.00 0.00 WT0 H +ATOM 794 OH2 TIP3 162 7.245 -7.622 3.210 0.00 0.00 WT0 O +ATOM 795 H1 TIP3 162 7.445 -8.462 3.610 0.00 0.00 WT0 H +ATOM 796 H2 TIP3 162 6.305 -7.652 3.020 0.00 0.00 WT0 H +ATOM 797 OH2 TIP3 163 -4.389 13.086 -9.386 0.00 0.00 WT0 O +ATOM 798 H1 TIP3 163 -3.569 13.576 -9.396 0.00 0.00 WT0 H +ATOM 799 H2 TIP3 163 -4.479 12.756 -10.276 0.00 0.00 WT0 H +ATOM 800 OH2 TIP3 167 15.864 19.241 2.731 0.00 0.00 WT0 O +ATOM 801 H1 TIP3 167 15.304 19.021 1.981 0.00 0.00 WT0 H +ATOM 802 H2 TIP3 167 15.904 18.431 3.241 0.00 0.00 WT0 H +ATOM 803 OH2 TIP3 174 16.799 6.227 14.641 0.00 0.00 WT0 O +ATOM 804 H1 TIP3 174 17.679 6.447 14.941 0.00 0.00 WT0 H +ATOM 805 H2 TIP3 174 16.669 6.737 13.851 0.00 0.00 WT0 H +ATOM 806 OH2 TIP3 177 21.110 -13.907 -15.359 0.00 0.00 WT0 O +ATOM 807 H1 TIP3 177 20.820 -14.527 -14.699 0.00 0.00 WT0 H +ATOM 808 H2 TIP3 177 20.480 -13.197 -15.319 0.00 0.00 WT0 H +ATOM 809 OH2 TIP3 178 -6.935 1.301 -6.043 0.00 0.00 WT0 O +ATOM 810 H1 TIP3 178 -6.245 1.961 -6.033 0.00 0.00 WT0 H +ATOM 811 H2 TIP3 178 -7.745 1.801 -6.133 0.00 0.00 WT0 H +ATOM 812 OH2 TIP3 179 -1.987 -11.347 24.303 0.00 0.00 WT0 O +ATOM 813 H1 TIP3 179 -2.717 -10.747 24.203 0.00 0.00 WT0 H +ATOM 814 H2 TIP3 179 -1.277 -10.947 23.813 0.00 0.00 WT0 H +ATOM 815 OH2 TIP3 180 24.645 19.493 -24.084 0.00 0.00 WT0 O +ATOM 816 H1 TIP3 180 24.525 20.153 -23.394 0.00 0.00 WT0 H +ATOM 817 H2 TIP3 180 24.145 18.743 -23.784 0.00 0.00 WT0 H +ATOM 818 OH2 TIP3 190 -8.833 15.795 17.647 0.00 0.00 WT0 O +ATOM 819 H1 TIP3 190 -7.933 15.795 17.327 0.00 0.00 WT0 H +ATOM 820 H2 TIP3 190 -8.743 15.805 18.597 0.00 0.00 WT0 H +ATOM 821 OH2 TIP3 191 -17.985 -2.731 24.727 0.00 0.00 WT0 O +ATOM 822 H1 TIP3 191 -17.785 -3.361 24.027 0.00 0.00 WT0 H +ATOM 823 H2 TIP3 191 -17.335 -2.911 25.407 0.00 0.00 WT0 H +ATOM 824 OH2 TIP3 195 -8.524 6.164 -3.754 0.00 0.00 WT0 O +ATOM 825 H1 TIP3 195 -8.544 5.304 -4.184 0.00 0.00 WT0 H +ATOM 826 H2 TIP3 195 -8.874 6.774 -4.404 0.00 0.00 WT0 H +ATOM 827 OH2 TIP3 196 12.551 -4.774 -11.810 0.00 0.00 WT0 O +ATOM 828 H1 TIP3 196 12.142 -5.084 -11.010 0.00 0.00 WT0 H +ATOM 829 H2 TIP3 196 12.142 -3.924 -11.990 0.00 0.00 WT0 H +ATOM 830 OH2 TIP3 198 -18.629 -2.819 21.325 0.00 0.00 WT0 O +ATOM 831 H1 TIP3 198 -19.519 -2.469 21.255 0.00 0.00 WT0 H +ATOM 832 H2 TIP3 198 -18.059 -2.059 21.295 0.00 0.00 WT0 H +ATOM 833 OH2 TIP3 201 -10.933 20.351 16.983 0.00 0.00 WT0 O +ATOM 834 H1 TIP3 201 -11.253 21.241 17.083 0.00 0.00 WT0 H +ATOM 835 H2 TIP3 201 -9.973 20.431 16.963 0.00 0.00 WT0 H +ATOM 836 OH2 TIP3 202 -22.354 -14.805 0.756 0.00 0.00 WT0 O +ATOM 837 H1 TIP3 202 -22.714 -14.765 -0.134 0.00 0.00 WT0 H +ATOM 838 H2 TIP3 202 -21.424 -14.965 0.626 0.00 0.00 WT0 H +ATOM 839 OH2 TIP3 205 -2.729 -10.875 15.120 0.00 0.00 WT0 O +ATOM 840 H1 TIP3 205 -2.849 -10.785 14.170 0.00 0.00 WT0 H +ATOM 841 H2 TIP3 205 -1.779 -10.805 15.250 0.00 0.00 WT0 H +ATOM 842 OH2 TIP3 206 -24.329 -11.902 10.922 0.00 0.00 WT0 O +ATOM 843 H1 TIP3 206 -24.049 -11.202 11.512 0.00 0.00 WT0 H +ATOM 844 H2 TIP3 206 -23.519 -12.222 10.532 0.00 0.00 WT0 H +ATOM 845 OH2 TIP3 212 -20.172 23.675 -4.993 0.00 0.00 WT0 O +ATOM 846 H1 TIP3 212 -19.262 23.755 -5.253 0.00 0.00 WT0 H +ATOM 847 H2 TIP3 212 -20.212 22.875 -4.473 0.00 0.00 WT0 H +ATOM 848 OH2 TIP3 222 8.623 15.254 -20.278 0.00 0.00 WT0 O +ATOM 849 H1 TIP3 222 8.323 14.374 -20.068 0.00 0.00 WT0 H +ATOM 850 H2 TIP3 222 9.543 15.154 -20.508 0.00 0.00 WT0 H +ATOM 851 OH2 TIP3 225 15.571 -16.606 17.366 0.00 0.00 WT0 O +ATOM 852 H1 TIP3 225 14.911 -16.876 16.736 0.00 0.00 WT0 H +ATOM 853 H2 TIP3 225 15.892 -15.766 17.036 0.00 0.00 WT0 H +ATOM 854 OH2 TIP3 231 15.637 20.360 8.886 0.00 0.00 WT0 O +ATOM 855 H1 TIP3 231 16.517 20.470 9.236 0.00 0.00 WT0 H +ATOM 856 H2 TIP3 231 15.777 20.080 7.976 0.00 0.00 WT0 H +ATOM 857 OH2 TIP3 235 8.787 -11.086 24.320 0.00 0.00 WT0 O +ATOM 858 H1 TIP3 235 8.147 -10.406 24.490 0.00 0.00 WT0 H +ATOM 859 H2 TIP3 235 8.587 -11.776 24.940 0.00 0.00 WT0 H +ATOM 860 OH2 TIP3 237 -8.852 -3.752 6.392 0.00 0.00 WT0 O +ATOM 861 H1 TIP3 237 -8.602 -2.852 6.192 0.00 0.00 WT0 H +ATOM 862 H2 TIP3 237 -8.022 -4.242 6.382 0.00 0.00 WT0 H +ATOM 863 OH2 TIP3 238 -12.297 12.629 -9.090 0.00 0.00 WT0 O +ATOM 864 H1 TIP3 238 -12.327 11.719 -8.790 0.00 0.00 WT0 H +ATOM 865 H2 TIP3 238 -12.037 13.129 -8.320 0.00 0.00 WT0 H +ATOM 866 OH2 TIP3 239 -16.789 -17.114 -2.732 0.00 0.00 WT0 O +ATOM 867 H1 TIP3 239 -16.769 -16.254 -2.312 0.00 0.00 WT0 H +ATOM 868 H2 TIP3 239 -15.869 -17.334 -2.892 0.00 0.00 WT0 H +ATOM 869 OH2 TIP3 252 -17.792 23.768 -9.071 0.00 0.00 WT0 O +ATOM 870 H1 TIP3 252 -18.532 23.158 -9.141 0.00 0.00 WT0 H +ATOM 871 H2 TIP3 252 -17.172 23.318 -8.501 0.00 0.00 WT0 H +ATOM 872 OH2 TIP3 253 -6.456 -23.931 21.376 0.00 0.00 WT0 O +ATOM 873 H1 TIP3 253 -7.206 -23.941 20.786 0.00 0.00 WT0 H +ATOM 874 H2 TIP3 253 -5.906 -23.221 21.056 0.00 0.00 WT0 H +ATOM 875 OH2 TIP3 255 -16.570 -19.288 10.019 0.00 0.00 WT0 O +ATOM 876 H1 TIP3 255 -15.620 -19.248 9.929 0.00 0.00 WT0 H +ATOM 877 H2 TIP3 255 -16.870 -19.798 9.259 0.00 0.00 WT0 H +ATOM 878 OH2 TIP3 257 -17.446 16.712 -4.244 0.00 0.00 WT0 O +ATOM 879 H1 TIP3 257 -17.706 16.362 -5.094 0.00 0.00 WT0 H +ATOM 880 H2 TIP3 257 -18.256 17.052 -3.864 0.00 0.00 WT0 H +ATOM 881 OH2 TIP3 258 -9.240 14.743 -13.703 0.00 0.00 WT0 O +ATOM 882 H1 TIP3 258 -10.150 14.883 -13.943 0.00 0.00 WT0 H +ATOM 883 H2 TIP3 258 -8.770 15.483 -14.073 0.00 0.00 WT0 H +ATOM 884 OH2 TIP3 259 14.179 1.901 -19.587 0.00 0.00 WT0 O +ATOM 885 H1 TIP3 259 14.219 2.761 -20.007 0.00 0.00 WT0 H +ATOM 886 H2 TIP3 259 13.659 1.361 -20.177 0.00 0.00 WT0 H +ATOM 887 OH2 TIP3 261 -18.051 14.001 24.299 0.00 0.00 WT0 O +ATOM 888 H1 TIP3 261 -18.891 14.381 24.569 0.00 0.00 WT0 H +ATOM 889 H2 TIP3 261 -18.291 13.251 23.749 0.00 0.00 WT0 H +ATOM 890 OH2 TIP3 262 -24.209 -12.968 14.729 0.00 0.00 WT0 O +ATOM 891 H1 TIP3 262 -23.259 -12.888 14.749 0.00 0.00 WT0 H +ATOM 892 H2 TIP3 262 -24.429 -12.978 13.799 0.00 0.00 WT0 H +ATOM 893 OH2 TIP3 267 -13.974 15.673 1.709 0.00 0.00 WT0 O +ATOM 894 H1 TIP3 267 -14.884 15.393 1.609 0.00 0.00 WT0 H +ATOM 895 H2 TIP3 267 -13.674 15.233 2.499 0.00 0.00 WT0 H +ATOM 896 OH2 TIP3 281 6.701 22.097 22.952 0.00 0.00 WT0 O +ATOM 897 H1 TIP3 281 6.301 21.247 22.812 0.00 0.00 WT0 H +ATOM 898 H2 TIP3 281 6.501 22.587 22.152 0.00 0.00 WT0 H +ATOM 899 OH2 TIP3 282 -12.977 13.261 -16.941 0.00 0.00 WT0 O +ATOM 900 H1 TIP3 282 -12.787 13.291 -17.871 0.00 0.00 WT0 H +ATOM 901 H2 TIP3 282 -12.917 12.341 -16.711 0.00 0.00 WT0 H +ATOM 902 OH2 TIP3 284 -1.536 -10.496 -15.888 0.00 0.00 WT0 O +ATOM 903 H1 TIP3 284 -2.456 -10.746 -15.778 0.00 0.00 WT0 H +ATOM 904 H2 TIP3 284 -1.576 -9.606 -16.238 0.00 0.00 WT0 H +ATOM 905 OH2 TIP3 285 23.589 -3.020 -11.704 0.00 0.00 WT0 O +ATOM 906 H1 TIP3 285 23.699 -2.070 -11.564 0.00 0.00 WT0 H +ATOM 907 H2 TIP3 285 22.819 -3.240 -11.184 0.00 0.00 WT0 H +ATOM 908 OH2 TIP3 295 -24.795 -7.961 -14.418 0.00 0.00 WT0 O +ATOM 909 H1 TIP3 295 -25.385 -8.101 -15.168 0.00 0.00 WT0 H +ATOM 910 H2 TIP3 295 -23.935 -7.851 -14.818 0.00 0.00 WT0 H +ATOM 911 OH2 TIP3 302 18.827 -0.651 5.519 0.00 0.00 WT0 O +ATOM 912 H1 TIP3 302 19.307 -0.771 6.339 0.00 0.00 WT0 H +ATOM 913 H2 TIP3 302 18.077 -1.251 5.589 0.00 0.00 WT0 H +ATOM 914 OH2 TIP3 306 1.584 17.513 -8.679 0.00 0.00 WT0 O +ATOM 915 H1 TIP3 306 1.554 17.243 -9.589 0.00 0.00 WT0 H +ATOM 916 H2 TIP3 306 2.164 16.883 -8.249 0.00 0.00 WT0 H +ATOM 917 OH2 TIP3 316 11.421 24.684 4.131 0.00 0.00 WT0 O +ATOM 918 H1 TIP3 316 10.971 23.834 4.141 0.00 0.00 WT0 H +ATOM 919 H2 TIP3 316 10.921 25.234 4.731 0.00 0.00 WT0 H +ATOM 920 OH2 TIP3 322 -0.173 10.670 -2.069 0.00 0.00 WT0 O +ATOM 921 H1 TIP3 322 0.627 10.600 -2.589 0.00 0.00 WT0 H +ATOM 922 H2 TIP3 322 -0.353 9.770 -1.779 0.00 0.00 WT0 H +ATOM 923 OH2 TIP3 325 10.043 -4.237 -16.203 0.00 0.00 WT0 O +ATOM 924 H1 TIP3 325 10.013 -3.287 -16.133 0.00 0.00 WT0 H +ATOM 925 H2 TIP3 325 9.323 -4.547 -15.663 0.00 0.00 WT0 H +ATOM 926 OH2 TIP3 327 -9.419 -15.751 -2.329 0.00 0.00 WT0 O +ATOM 927 H1 TIP3 327 -8.599 -15.281 -2.179 0.00 0.00 WT0 H +ATOM 928 H2 TIP3 327 -9.499 -15.781 -3.279 0.00 0.00 WT0 H +ATOM 929 OH2 TIP3 328 24.909 1.391 -7.609 0.00 0.00 WT0 O +ATOM 930 H1 TIP3 328 25.379 0.801 -7.019 0.00 0.00 WT0 H +ATOM 931 H2 TIP3 328 24.989 2.251 -7.189 0.00 0.00 WT0 H +ATOM 932 OH2 TIP3 332 24.815 15.052 23.814 0.00 0.00 WT0 O +ATOM 933 H1 TIP3 332 23.925 15.392 23.774 0.00 0.00 WT0 H +ATOM 934 H2 TIP3 332 25.375 15.832 23.854 0.00 0.00 WT0 H +ATOM 935 OH2 TIP3 338 -12.706 23.962 -15.388 0.00 0.00 WT0 O +ATOM 936 H1 TIP3 338 -11.766 23.932 -15.538 0.00 0.00 WT0 H +ATOM 937 H2 TIP3 338 -12.836 23.462 -14.588 0.00 0.00 WT0 H +ATOM 938 OH2 TIP3 344 7.473 7.137 -11.875 0.00 0.00 WT0 O +ATOM 939 H1 TIP3 344 6.593 6.887 -11.585 0.00 0.00 WT0 H +ATOM 940 H2 TIP3 344 8.013 6.357 -11.725 0.00 0.00 WT0 H +ATOM 941 OH2 TIP3 361 21.468 -23.240 17.587 0.00 0.00 WT0 O +ATOM 942 H1 TIP3 361 22.038 -22.830 18.227 0.00 0.00 WT0 H +ATOM 943 H2 TIP3 361 21.708 -24.170 17.617 0.00 0.00 WT0 H +ATOM 944 OH2 TIP3 365 -0.871 -15.175 17.317 0.00 0.00 WT0 O +ATOM 945 H1 TIP3 365 -1.551 -15.775 17.017 0.00 0.00 WT0 H +ATOM 946 H2 TIP3 365 -0.851 -15.295 18.267 0.00 0.00 WT0 H +ATOM 947 OH2 TIP3 367 -7.064 -19.845 4.457 0.00 0.00 WT0 O +ATOM 948 H1 TIP3 367 -7.804 -19.255 4.317 0.00 0.00 WT0 H +ATOM 949 H2 TIP3 367 -6.794 -19.685 5.357 0.00 0.00 WT0 H +ATOM 950 OH2 TIP3 368 23.317 -17.248 -16.147 0.00 0.00 WT0 O +ATOM 951 H1 TIP3 368 22.897 -17.068 -15.307 0.00 0.00 WT0 H +ATOM 952 H2 TIP3 368 23.067 -18.148 -16.347 0.00 0.00 WT0 H +ATOM 953 OH2 TIP3 369 -14.262 20.515 -15.734 0.00 0.00 WT0 O +ATOM 954 H1 TIP3 369 -13.482 21.035 -15.954 0.00 0.00 WT0 H +ATOM 955 H2 TIP3 369 -14.262 19.805 -16.374 0.00 0.00 WT0 H +ATOM 956 OH2 TIP3 391 6.990 -16.973 5.483 0.00 0.00 WT0 O +ATOM 957 H1 TIP3 391 7.090 -17.523 6.263 0.00 0.00 WT0 H +ATOM 958 H2 TIP3 391 7.800 -17.123 4.983 0.00 0.00 WT0 H +ATOM 959 OH2 TIP3 403 14.194 -20.676 8.441 0.00 0.00 WT0 O +ATOM 960 H1 TIP3 403 14.234 -20.566 7.491 0.00 0.00 WT0 H +ATOM 961 H2 TIP3 403 14.964 -20.226 8.771 0.00 0.00 WT0 H +ATOM 962 OH2 TIP3 409 -9.463 5.029 -11.931 0.00 0.00 WT0 O +ATOM 963 H1 TIP3 409 -10.273 4.699 -12.311 0.00 0.00 WT0 H +ATOM 964 H2 TIP3 409 -9.423 4.639 -11.061 0.00 0.00 WT0 H +ATOM 965 OH2 TIP3 411 6.438 13.400 -9.958 0.00 0.00 WT0 O +ATOM 966 H1 TIP3 411 6.338 13.990 -10.698 0.00 0.00 WT0 H +ATOM 967 H2 TIP3 411 6.628 12.550 -10.348 0.00 0.00 WT0 H +ATOM 968 OH2 TIP3 424 -6.726 16.681 -10.461 0.00 0.00 WT0 O +ATOM 969 H1 TIP3 424 -6.436 16.451 -11.351 0.00 0.00 WT0 H +ATOM 970 H2 TIP3 424 -6.146 17.401 -10.211 0.00 0.00 WT0 H +ATOM 971 OH2 TIP3 432 -15.237 4.383 11.811 0.00 0.00 WT0 O +ATOM 972 H1 TIP3 432 -15.327 3.533 12.241 0.00 0.00 WT0 H +ATOM 973 H2 TIP3 432 -15.827 4.323 11.051 0.00 0.00 WT0 H +ATOM 974 OH2 TIP3 438 8.685 -8.153 -13.820 0.00 0.00 WT0 O +ATOM 975 H1 TIP3 438 9.245 -8.623 -14.430 0.00 0.00 WT0 H +ATOM 976 H2 TIP3 438 9.215 -7.413 -13.520 0.00 0.00 WT0 H +ATOM 977 OH2 TIP3 442 -8.415 3.253 -21.333 0.00 0.00 WT0 O +ATOM 978 H1 TIP3 442 -9.035 3.493 -22.023 0.00 0.00 WT0 H +ATOM 979 H2 TIP3 442 -7.595 3.083 -21.793 0.00 0.00 WT0 H +ATOM 980 OH2 TIP3 443 -6.237 9.368 13.703 0.00 0.00 WT0 O +ATOM 981 H1 TIP3 443 -5.417 9.748 13.403 0.00 0.00 WT0 H +ATOM 982 H2 TIP3 443 -6.617 8.968 12.923 0.00 0.00 WT0 H +ATOM 983 OH2 TIP3 446 -7.751 4.711 -9.158 0.00 0.00 WT0 O +ATOM 984 H1 TIP3 446 -7.921 5.591 -9.488 0.00 0.00 WT0 H +ATOM 985 H2 TIP3 446 -6.811 4.601 -9.248 0.00 0.00 WT0 H +ATOM 986 OH2 TIP3 450 -8.105 21.666 17.385 0.00 0.00 WT0 O +ATOM 987 H1 TIP3 450 -7.525 21.806 18.135 0.00 0.00 WT0 H +ATOM 988 H2 TIP3 450 -8.545 22.516 17.265 0.00 0.00 WT0 H +ATOM 989 OH2 TIP3 452 -14.415 -20.684 6.519 0.00 0.00 WT0 O +ATOM 990 H1 TIP3 452 -14.135 -20.034 7.169 0.00 0.00 WT0 H +ATOM 991 H2 TIP3 452 -15.015 -21.254 6.999 0.00 0.00 WT0 H +ATOM 992 OH2 TIP3 457 -17.282 16.472 13.825 0.00 0.00 WT0 O +ATOM 993 H1 TIP3 457 -17.352 15.902 13.065 0.00 0.00 WT0 H +ATOM 994 H2 TIP3 457 -17.722 17.282 13.555 0.00 0.00 WT0 H +ATOM 995 OH2 TIP3 465 -14.301 -19.427 20.412 0.00 0.00 WT0 O +ATOM 996 H1 TIP3 465 -14.891 -19.257 21.152 0.00 0.00 WT0 H +ATOM 997 H2 TIP3 465 -13.521 -19.817 20.812 0.00 0.00 WT0 H +ATOM 998 OH2 TIP3 466 18.980 8.158 13.116 0.00 0.00 WT0 O +ATOM 999 H1 TIP3 466 19.470 7.618 12.486 0.00 0.00 WT0 H +ATOM 1000 H2 TIP3 466 19.490 8.958 13.206 0.00 0.00 WT0 H +ATOM 1001 OH2 TIP3 469 -0.261 -0.917 -2.202 0.00 0.00 WT0 O +ATOM 1002 H1 TIP3 469 -0.431 -0.007 -1.962 0.00 0.00 WT0 H +ATOM 1003 H2 TIP3 469 0.519 -1.157 -1.722 0.00 0.00 WT0 H +ATOM 1004 OH2 TIP3 479 -19.579 6.659 -2.789 0.00 0.00 WT0 O +ATOM 1005 H1 TIP3 479 -19.539 5.749 -3.089 0.00 0.00 WT0 H +ATOM 1006 H2 TIP3 479 -19.229 7.169 -3.519 0.00 0.00 WT0 H +ATOM 1007 OH2 TIP3 484 2.038 23.919 -4.659 0.00 0.00 WT0 O +ATOM 1008 H1 TIP3 484 2.938 24.159 -4.869 0.00 0.00 WT0 H +ATOM 1009 H2 TIP3 484 2.118 23.189 -4.049 0.00 0.00 WT0 H +ATOM 1010 OH2 TIP3 485 -4.684 -3.742 20.391 0.00 0.00 WT0 O +ATOM 1011 H1 TIP3 485 -5.544 -3.692 20.811 0.00 0.00 WT0 H +ATOM 1012 H2 TIP3 485 -4.584 -2.902 19.941 0.00 0.00 WT0 H +ATOM 1013 OH2 TIP3 486 2.338 15.066 18.415 0.00 0.00 WT0 O +ATOM 1014 H1 TIP3 486 2.518 15.846 17.895 0.00 0.00 WT0 H +ATOM 1015 H2 TIP3 486 1.508 14.736 18.075 0.00 0.00 WT0 H +ATOM 1016 OH2 TIP3 489 -16.016 -13.569 -3.136 0.00 0.00 WT0 O +ATOM 1017 H1 TIP3 489 -15.216 -13.929 -2.746 0.00 0.00 WT0 H +ATOM 1018 H2 TIP3 489 -16.646 -13.539 -2.416 0.00 0.00 WT0 H +ATOM 1019 OH2 TIP3 490 1.138 13.971 -8.648 0.00 0.00 WT0 O +ATOM 1020 H1 TIP3 490 1.968 14.151 -8.218 0.00 0.00 WT0 H +ATOM 1021 H2 TIP3 490 1.298 14.151 -9.568 0.00 0.00 WT0 H +ATOM 1022 OH2 TIP3 491 -2.551 24.613 -22.198 0.00 0.00 WT0 O +ATOM 1023 H1 TIP3 491 -3.121 25.373 -22.108 0.00 0.00 WT0 H +ATOM 1024 H2 TIP3 491 -1.691 24.933 -21.938 0.00 0.00 WT0 H +ATOM 1025 OH2 TIP3 493 -9.963 1.769 -11.878 0.00 0.00 WT0 O +ATOM 1026 H1 TIP3 493 -10.793 2.179 -11.628 0.00 0.00 WT0 H +ATOM 1027 H2 TIP3 493 -10.203 0.869 -12.108 0.00 0.00 WT0 H +ATOM 1028 OH2 TIP3 494 3.379 18.464 -18.461 0.00 0.00 WT0 O +ATOM 1029 H1 TIP3 494 3.199 19.254 -18.971 0.00 0.00 WT0 H +ATOM 1030 H2 TIP3 494 3.539 17.784 -19.121 0.00 0.00 WT0 H +ATOM 1031 OH2 TIP3 495 -22.623 11.229 -14.999 0.00 0.00 WT0 O +ATOM 1032 H1 TIP3 495 -22.413 10.319 -14.819 0.00 0.00 WT0 H +ATOM 1033 H2 TIP3 495 -21.813 11.609 -15.349 0.00 0.00 WT0 H +ATOM 1034 OH2 TIP3 498 0.353 2.421 0.322 0.00 0.00 WT0 O +ATOM 1035 H1 TIP3 498 -0.037 3.091 0.872 0.00 0.00 WT0 H +ATOM 1036 H2 TIP3 498 -0.377 1.831 0.102 0.00 0.00 WT0 H +ATOM 1037 OH2 TIP3 500 24.304 4.619 4.466 0.00 0.00 WT0 O +ATOM 1038 H1 TIP3 500 24.204 4.699 3.516 0.00 0.00 WT0 H +ATOM 1039 H2 TIP3 500 24.324 3.669 4.626 0.00 0.00 WT0 H +ATOM 1040 OH2 TIP3 503 3.505 11.657 -9.439 0.00 0.00 WT0 O +ATOM 1041 H1 TIP3 503 2.565 11.617 -9.269 0.00 0.00 WT0 H +ATOM 1042 H2 TIP3 503 3.765 12.517 -9.109 0.00 0.00 WT0 H +ATOM 1043 OH2 TIP3 506 15.511 14.963 14.432 0.00 0.00 WT0 O +ATOM 1044 H1 TIP3 506 15.821 14.683 13.572 0.00 0.00 WT0 H +ATOM 1045 H2 TIP3 506 14.571 15.043 14.332 0.00 0.00 WT0 H +ATOM 1046 OH2 TIP3 507 12.084 -21.922 -3.585 0.00 0.00 WT0 O +ATOM 1047 H1 TIP3 507 12.854 -21.402 -3.355 0.00 0.00 WT0 H +ATOM 1048 H2 TIP3 507 12.294 -22.302 -4.435 0.00 0.00 WT0 H +ATOM 1049 OH2 TIP3 508 -18.427 -8.245 -15.572 0.00 0.00 WT0 O +ATOM 1050 H1 TIP3 508 -19.207 -8.255 -15.022 0.00 0.00 WT0 H +ATOM 1051 H2 TIP3 508 -18.757 -8.115 -16.462 0.00 0.00 WT0 H +ATOM 1052 OH2 TIP3 509 -22.655 24.073 -16.151 0.00 0.00 WT0 O +ATOM 1053 H1 TIP3 509 -22.055 24.463 -15.511 0.00 0.00 WT0 H +ATOM 1054 H2 TIP3 509 -22.855 24.783 -16.751 0.00 0.00 WT0 H +ATOM 1055 OH2 TIP3 511 14.048 8.201 -12.810 0.00 0.00 WT0 O +ATOM 1056 H1 TIP3 511 14.108 7.461 -12.210 0.00 0.00 WT0 H +ATOM 1057 H2 TIP3 511 14.868 8.171 -13.310 0.00 0.00 WT0 H +ATOM 1058 OH2 TIP3 512 2.724 9.423 0.005 0.00 0.00 WT0 O +ATOM 1059 H1 TIP3 512 2.594 8.863 0.765 0.00 0.00 WT0 H +ATOM 1060 H2 TIP3 512 2.164 9.053 -0.675 0.00 0.00 WT0 H +ATOM 1061 OH2 TIP3 514 -2.714 1.880 21.921 0.00 0.00 WT0 O +ATOM 1062 H1 TIP3 514 -2.844 2.260 22.781 0.00 0.00 WT0 H +ATOM 1063 H2 TIP3 514 -3.594 1.780 21.561 0.00 0.00 WT0 H +ATOM 1064 OH2 TIP3 515 0.565 -18.071 16.892 0.00 0.00 WT0 O +ATOM 1065 H1 TIP3 515 1.325 -18.661 16.882 0.00 0.00 WT0 H +ATOM 1066 H2 TIP3 515 0.375 -17.911 15.962 0.00 0.00 WT0 H +ATOM 1067 OH2 TIP3 516 -16.790 -2.591 -10.683 0.00 0.00 WT0 O +ATOM 1068 H1 TIP3 516 -16.420 -3.471 -10.603 0.00 0.00 WT0 H +ATOM 1069 H2 TIP3 516 -16.030 -2.021 -10.743 0.00 0.00 WT0 H +ATOM 1070 OH2 TIP3 517 19.390 18.494 -10.924 0.00 0.00 WT0 O +ATOM 1071 H1 TIP3 517 18.490 18.294 -11.194 0.00 0.00 WT0 H +ATOM 1072 H2 TIP3 517 19.920 17.874 -11.424 0.00 0.00 WT0 H +ATOM 1073 OH2 TIP3 529 4.381 17.888 -9.261 0.00 0.00 WT0 O +ATOM 1074 H1 TIP3 529 3.651 17.688 -9.841 0.00 0.00 WT0 H +ATOM 1075 H2 TIP3 529 4.971 18.438 -9.781 0.00 0.00 WT0 H +ATOM 1076 OH2 TIP3 533 -14.084 19.459 23.549 0.00 0.00 WT0 O +ATOM 1077 H1 TIP3 533 -14.644 20.229 23.419 0.00 0.00 WT0 H +ATOM 1078 H2 TIP3 533 -13.594 19.389 22.729 0.00 0.00 WT0 H +ATOM 1079 OH2 TIP3 534 -8.012 -17.181 14.117 0.00 0.00 WT0 O +ATOM 1080 H1 TIP3 534 -8.892 -16.821 14.197 0.00 0.00 WT0 H +ATOM 1081 H2 TIP3 534 -7.582 -16.971 14.947 0.00 0.00 WT0 H +ATOM 1082 OH2 TIP3 538 10.217 -8.477 0.276 0.00 0.00 WT0 O +ATOM 1083 H1 TIP3 538 10.757 -7.727 0.506 0.00 0.00 WT0 H +ATOM 1084 H2 TIP3 538 10.837 -9.167 0.046 0.00 0.00 WT0 H +ATOM 1085 OH2 TIP3 540 20.369 -0.136 10.897 0.00 0.00 WT0 O +ATOM 1086 H1 TIP3 540 20.629 0.624 10.387 0.00 0.00 WT0 H +ATOM 1087 H2 TIP3 540 20.959 -0.836 10.617 0.00 0.00 WT0 H +ATOM 1088 OH2 TIP3 541 21.193 -23.947 -9.320 0.00 0.00 WT0 O +ATOM 1089 H1 TIP3 541 20.323 -23.737 -8.980 0.00 0.00 WT0 H +ATOM 1090 H2 TIP3 541 21.723 -23.177 -9.100 0.00 0.00 WT0 H +ATOM 1091 OH2 TIP3 543 -16.199 -7.520 -18.499 0.00 0.00 WT0 O +ATOM 1092 H1 TIP3 543 -16.569 -8.210 -19.049 0.00 0.00 WT0 H +ATOM 1093 H2 TIP3 543 -15.299 -7.810 -18.339 0.00 0.00 WT0 H +ATOM 1094 OH2 TIP3 549 -5.740 -20.112 22.142 0.00 0.00 WT0 O +ATOM 1095 H1 TIP3 549 -4.940 -20.352 22.592 0.00 0.00 WT0 H +ATOM 1096 H2 TIP3 549 -5.760 -19.152 22.172 0.00 0.00 WT0 H +ATOM 1097 OH2 TIP3 550 23.280 8.636 -12.073 0.00 0.00 WT0 O +ATOM 1098 H1 TIP3 550 22.370 8.496 -12.363 0.00 0.00 WT0 H +ATOM 1099 H2 TIP3 550 23.790 8.026 -12.593 0.00 0.00 WT0 H +ATOM 1100 OH2 TIP3 551 -14.339 -18.862 -9.180 0.00 0.00 WT0 O +ATOM 1101 H1 TIP3 551 -14.779 -18.192 -9.700 0.00 0.00 WT0 H +ATOM 1102 H2 TIP3 551 -13.859 -18.372 -8.510 0.00 0.00 WT0 H +ATOM 1103 OH2 TIP3 552 22.861 21.750 11.249 0.00 0.00 WT0 O +ATOM 1104 H1 TIP3 552 22.991 21.050 10.599 0.00 0.00 WT0 H +ATOM 1105 H2 TIP3 552 23.131 21.360 12.079 0.00 0.00 WT0 H +ATOM 1106 OH2 TIP3 553 -17.010 15.131 -21.672 0.00 0.00 WT0 O +ATOM 1107 H1 TIP3 553 -16.260 14.821 -21.152 0.00 0.00 WT0 H +ATOM 1108 H2 TIP3 553 -17.750 15.111 -21.062 0.00 0.00 WT0 H +ATOM 1109 OH2 TIP3 554 -13.554 -19.845 10.096 0.00 0.00 WT0 O +ATOM 1110 H1 TIP3 554 -14.104 -20.635 10.126 0.00 0.00 WT0 H +ATOM 1111 H2 TIP3 554 -12.684 -20.175 9.906 0.00 0.00 WT0 H +ATOM 1112 OH2 TIP3 555 25.340 -21.384 4.865 0.00 0.00 WT0 O +ATOM 1113 H1 TIP3 555 25.100 -20.684 5.465 0.00 0.00 WT0 H +ATOM 1114 H2 TIP3 555 24.710 -21.324 4.145 0.00 0.00 WT0 H +ATOM 1115 OH2 TIP3 556 -3.550 -5.507 4.209 0.00 0.00 WT0 O +ATOM 1116 H1 TIP3 556 -3.460 -6.117 4.949 0.00 0.00 WT0 H +ATOM 1117 H2 TIP3 556 -3.560 -6.077 3.439 0.00 0.00 WT0 H +ATOM 1118 OH2 TIP3 558 1.430 22.064 -21.512 0.00 0.00 WT0 O +ATOM 1119 H1 TIP3 558 2.110 22.434 -22.082 0.00 0.00 WT0 H +ATOM 1120 H2 TIP3 558 1.000 21.404 -22.052 0.00 0.00 WT0 H +ATOM 1121 OH2 TIP3 562 -7.019 0.602 -1.147 0.00 0.00 WT0 O +ATOM 1122 H1 TIP3 562 -6.109 0.552 -1.437 0.00 0.00 WT0 H +ATOM 1123 H2 TIP3 562 -7.469 1.062 -1.857 0.00 0.00 WT0 H +ATOM 1124 OH2 TIP3 568 5.065 11.076 -17.141 0.00 0.00 WT0 O +ATOM 1125 H1 TIP3 568 4.565 11.876 -17.341 0.00 0.00 WT0 H +ATOM 1126 H2 TIP3 568 5.385 11.216 -16.241 0.00 0.00 WT0 H +ATOM 1127 OH2 TIP3 570 -9.526 9.195 22.522 0.00 0.00 WT0 O +ATOM 1128 H1 TIP3 570 -8.726 8.805 22.162 0.00 0.00 WT0 H +ATOM 1129 H2 TIP3 570 -9.456 10.125 22.302 0.00 0.00 WT0 H +ATOM 1130 OH2 TIP3 573 -15.446 -5.180 -21.655 0.00 0.00 WT0 O +ATOM 1131 H1 TIP3 573 -15.126 -4.670 -20.915 0.00 0.00 WT0 H +ATOM 1132 H2 TIP3 573 -15.476 -6.090 -21.335 0.00 0.00 WT0 H +ATOM 1133 OH2 TIP3 575 22.110 11.056 1.096 0.00 0.00 WT0 O +ATOM 1134 H1 TIP3 575 23.000 10.766 0.876 0.00 0.00 WT0 H +ATOM 1135 H2 TIP3 575 21.640 11.056 0.266 0.00 0.00 WT0 H +ATOM 1136 OH2 TIP3 576 8.231 14.993 -8.678 0.00 0.00 WT0 O +ATOM 1137 H1 TIP3 576 7.621 14.483 -9.218 0.00 0.00 WT0 H +ATOM 1138 H2 TIP3 576 9.041 14.483 -8.688 0.00 0.00 WT0 H +ATOM 1139 OH2 TIP3 578 -15.935 9.548 18.591 0.00 0.00 WT0 O +ATOM 1140 H1 TIP3 578 -16.345 9.558 17.721 0.00 0.00 WT0 H +ATOM 1141 H2 TIP3 578 -15.405 10.348 18.611 0.00 0.00 WT0 H +ATOM 1142 OH2 TIP3 579 11.873 1.959 21.837 0.00 0.00 WT0 O +ATOM 1143 H1 TIP3 579 12.213 1.329 21.197 0.00 0.00 WT0 H +ATOM 1144 H2 TIP3 579 11.133 2.379 21.387 0.00 0.00 WT0 H +ATOM 1145 OH2 TIP3 580 -1.391 12.971 12.187 0.00 0.00 WT0 O +ATOM 1146 H1 TIP3 580 -1.151 13.901 12.167 0.00 0.00 WT0 H +ATOM 1147 H2 TIP3 580 -1.371 12.701 11.267 0.00 0.00 WT0 H +ATOM 1148 OH2 TIP3 584 -1.406 -5.705 -21.998 0.00 0.00 WT0 O +ATOM 1149 H1 TIP3 584 -1.046 -5.465 -22.858 0.00 0.00 WT0 H +ATOM 1150 H2 TIP3 584 -2.016 -4.995 -21.788 0.00 0.00 WT0 H +ATOM 1151 OH2 TIP3 585 11.480 14.872 -21.884 0.00 0.00 WT0 O +ATOM 1152 H1 TIP3 585 11.660 14.902 -20.944 0.00 0.00 WT0 H +ATOM 1153 H2 TIP3 585 12.100 15.492 -22.264 0.00 0.00 WT0 H +ATOM 1154 OH2 TIP3 587 21.375 -17.029 3.539 0.00 0.00 WT0 O +ATOM 1155 H1 TIP3 587 21.335 -17.869 3.089 0.00 0.00 WT0 H +ATOM 1156 H2 TIP3 587 21.045 -17.209 4.419 0.00 0.00 WT0 H +ATOM 1157 OH2 TIP3 588 -11.684 4.471 15.072 0.00 0.00 WT0 O +ATOM 1158 H1 TIP3 588 -11.614 5.011 15.862 0.00 0.00 WT0 H +ATOM 1159 H2 TIP3 588 -11.414 5.061 14.362 0.00 0.00 WT0 H +ATOM 1160 OH2 TIP3 591 -2.105 5.268 -4.456 0.00 0.00 WT0 O +ATOM 1161 H1 TIP3 591 -2.205 6.178 -4.166 0.00 0.00 WT0 H +ATOM 1162 H2 TIP3 591 -1.405 5.308 -5.116 0.00 0.00 WT0 H +ATOM 1163 OH2 TIP3 593 -17.222 11.436 11.574 0.00 0.00 WT0 O +ATOM 1164 H1 TIP3 593 -18.042 11.236 12.014 0.00 0.00 WT0 H +ATOM 1165 H2 TIP3 593 -17.182 12.386 11.544 0.00 0.00 WT0 H +ATOM 1166 OH2 TIP3 594 16.267 -22.555 -23.318 0.00 0.00 WT0 O +ATOM 1167 H1 TIP3 594 15.797 -21.995 -23.928 0.00 0.00 WT0 H +ATOM 1168 H2 TIP3 594 15.907 -22.345 -22.458 0.00 0.00 WT0 H +ATOM 1169 OH2 TIP3 595 -17.401 4.389 -10.215 0.00 0.00 WT0 O +ATOM 1170 H1 TIP3 595 -17.381 3.509 -9.835 0.00 0.00 WT0 H +ATOM 1171 H2 TIP3 595 -18.321 4.539 -10.435 0.00 0.00 WT0 H +ATOM 1172 OH2 TIP3 598 19.669 -4.291 7.427 0.00 0.00 WT0 O +ATOM 1173 H1 TIP3 598 19.449 -4.651 6.567 0.00 0.00 WT0 H +ATOM 1174 H2 TIP3 598 20.129 -5.001 7.877 0.00 0.00 WT0 H +ATOM 1175 OH2 TIP3 599 3.470 -4.572 15.407 0.00 0.00 WT0 O +ATOM 1176 H1 TIP3 599 3.430 -3.842 16.017 0.00 0.00 WT0 H +ATOM 1177 H2 TIP3 599 2.850 -4.342 14.717 0.00 0.00 WT0 H +ATOM 1178 OH2 TIP3 600 -16.057 3.398 -13.133 0.00 0.00 WT0 O +ATOM 1179 H1 TIP3 600 -16.757 4.058 -13.053 0.00 0.00 WT0 H +ATOM 1180 H2 TIP3 600 -15.247 3.908 -13.123 0.00 0.00 WT0 H +ATOM 1181 OH2 TIP3 601 -5.644 -16.782 22.576 0.00 0.00 WT0 O +ATOM 1182 H1 TIP3 601 -6.204 -17.132 23.276 0.00 0.00 WT0 H +ATOM 1183 H2 TIP3 601 -6.204 -16.792 21.796 0.00 0.00 WT0 H +ATOM 1184 OH2 TIP3 602 -19.875 18.331 15.811 0.00 0.00 WT0 O +ATOM 1185 H1 TIP3 602 -20.495 17.971 16.451 0.00 0.00 WT0 H +ATOM 1186 H2 TIP3 602 -20.245 18.091 14.961 0.00 0.00 WT0 H +ATOM 1187 OH2 TIP3 611 -5.407 9.440 24.014 0.00 0.00 WT0 O +ATOM 1188 H1 TIP3 611 -5.337 9.870 23.164 0.00 0.00 WT0 H +ATOM 1189 H2 TIP3 611 -6.167 8.870 23.924 0.00 0.00 WT0 H +ATOM 1190 OH2 TIP3 612 -11.913 13.697 -24.661 0.00 0.00 WT0 O +ATOM 1191 H1 TIP3 612 -12.393 14.527 -24.641 0.00 0.00 WT0 H +ATOM 1192 H2 TIP3 612 -12.363 13.177 -25.331 0.00 0.00 WT0 H +ATOM 1193 OH2 TIP3 613 1.933 18.250 11.425 0.00 0.00 WT0 O +ATOM 1194 H1 TIP3 613 1.123 18.610 11.785 0.00 0.00 WT0 H +ATOM 1195 H2 TIP3 613 2.403 19.010 11.075 0.00 0.00 WT0 H +ATOM 1196 OH2 TIP3 615 -16.144 -5.264 24.056 0.00 0.00 WT0 O +ATOM 1197 H1 TIP3 615 -15.374 -5.614 24.496 0.00 0.00 WT0 H +ATOM 1198 H2 TIP3 615 -15.984 -5.454 23.126 0.00 0.00 WT0 H +ATOM 1199 OH2 TIP3 616 -25.403 -7.809 23.309 0.00 0.00 WT0 O +ATOM 1200 H1 TIP3 616 -25.233 -6.959 22.889 0.00 0.00 WT0 H +ATOM 1201 H2 TIP3 616 -24.563 -8.079 23.669 0.00 0.00 WT0 H +ATOM 1202 OH2 TIP3 618 -22.261 5.084 -1.315 0.00 0.00 WT0 O +ATOM 1203 H1 TIP3 618 -22.531 4.864 -2.205 0.00 0.00 WT0 H +ATOM 1204 H2 TIP3 618 -21.491 5.634 -1.415 0.00 0.00 WT0 H +ATOM 1205 OH2 TIP3 619 -0.395 -5.930 18.469 0.00 0.00 WT0 O +ATOM 1206 H1 TIP3 619 -0.915 -6.590 18.019 0.00 0.00 WT0 H +ATOM 1207 H2 TIP3 619 -0.625 -6.040 19.389 0.00 0.00 WT0 H +ATOM 1208 OH2 TIP3 623 19.804 -14.528 22.595 0.00 0.00 WT0 O +ATOM 1209 H1 TIP3 623 20.224 -14.248 21.785 0.00 0.00 WT0 H +ATOM 1210 H2 TIP3 623 20.384 -15.218 22.925 0.00 0.00 WT0 H +ATOM 1211 OH2 TIP3 626 -10.086 1.250 20.567 0.00 0.00 WT0 O +ATOM 1212 H1 TIP3 626 -10.126 1.920 21.257 0.00 0.00 WT0 H +ATOM 1213 H2 TIP3 626 -11.006 1.060 20.357 0.00 0.00 WT0 H +ATOM 1214 OH2 TIP3 632 2.079 -5.538 -6.458 0.00 0.00 WT0 O +ATOM 1215 H1 TIP3 632 2.069 -5.028 -5.648 0.00 0.00 WT0 H +ATOM 1216 H2 TIP3 632 2.499 -4.978 -7.108 0.00 0.00 WT0 H +ATOM 1217 OH2 TIP3 634 -14.545 -18.097 -4.379 0.00 0.00 WT0 O +ATOM 1218 H1 TIP3 634 -14.995 -17.997 -5.219 0.00 0.00 WT0 H +ATOM 1219 H2 TIP3 634 -14.265 -19.017 -4.369 0.00 0.00 WT0 H +ATOM 1220 OH2 TIP3 636 23.389 -17.077 -5.228 0.00 0.00 WT0 O +ATOM 1221 H1 TIP3 636 24.169 -16.807 -4.738 0.00 0.00 WT0 H +ATOM 1222 H2 TIP3 636 23.539 -17.997 -5.438 0.00 0.00 WT0 H +ATOM 1223 OH2 TIP3 637 -13.025 -5.188 -11.071 0.00 0.00 WT0 O +ATOM 1224 H1 TIP3 637 -12.525 -5.918 -11.461 0.00 0.00 WT0 H +ATOM 1225 H2 TIP3 637 -13.545 -4.848 -11.791 0.00 0.00 WT0 H +ATOM 1226 OH2 TIP3 638 -1.649 13.580 -16.827 0.00 0.00 WT0 O +ATOM 1227 H1 TIP3 638 -1.319 13.530 -15.927 0.00 0.00 WT0 H +ATOM 1228 H2 TIP3 638 -2.389 12.980 -16.837 0.00 0.00 WT0 H +ATOM 1229 OH2 TIP3 639 17.774 21.095 3.532 0.00 0.00 WT0 O +ATOM 1230 H1 TIP3 639 17.504 21.645 4.272 0.00 0.00 WT0 H +ATOM 1231 H2 TIP3 639 17.234 20.305 3.612 0.00 0.00 WT0 H +ATOM 1232 OH2 TIP3 642 -1.761 1.295 -1.428 0.00 0.00 WT0 O +ATOM 1233 H1 TIP3 642 -1.791 0.445 -1.858 0.00 0.00 WT0 H +ATOM 1234 H2 TIP3 642 -1.781 1.925 -2.158 0.00 0.00 WT0 H +ATOM 1235 OH2 TIP3 648 10.609 -18.813 16.806 0.00 0.00 WT0 O +ATOM 1236 H1 TIP3 648 10.429 -18.773 17.746 0.00 0.00 WT0 H +ATOM 1237 H2 TIP3 648 10.679 -19.753 16.626 0.00 0.00 WT0 H +ATOM 1238 OH2 TIP3 653 -10.014 1.554 -6.108 0.00 0.00 WT0 O +ATOM 1239 H1 TIP3 653 -9.644 1.464 -6.988 0.00 0.00 WT0 H +ATOM 1240 H2 TIP3 653 -10.694 0.884 -6.078 0.00 0.00 WT0 H +ATOM 1241 OH2 TIP3 657 10.109 11.582 -8.160 0.00 0.00 WT0 O +ATOM 1242 H1 TIP3 657 9.719 10.702 -8.140 0.00 0.00 WT0 H +ATOM 1243 H2 TIP3 657 10.269 11.792 -7.230 0.00 0.00 WT0 H +ATOM 1244 OH2 TIP3 661 11.325 -19.942 -17.111 0.00 0.00 WT0 O +ATOM 1245 H1 TIP3 661 10.795 -20.202 -17.871 0.00 0.00 WT0 H +ATOM 1246 H2 TIP3 661 10.725 -19.412 -16.581 0.00 0.00 WT0 H +ATOM 1247 OH2 TIP3 662 -18.343 18.752 -11.993 0.00 0.00 WT0 O +ATOM 1248 H1 TIP3 662 -18.323 18.552 -11.063 0.00 0.00 WT0 H +ATOM 1249 H2 TIP3 662 -19.143 19.262 -12.113 0.00 0.00 WT0 H +ATOM 1250 OH2 TIP3 666 25.204 -16.655 -9.541 0.00 0.00 WT0 O +ATOM 1251 H1 TIP3 666 24.984 -16.315 -10.401 0.00 0.00 WT0 H +ATOM 1252 H2 TIP3 666 24.444 -16.455 -9.001 0.00 0.00 WT0 H +ATOM 1253 OH2 TIP3 667 -12.587 20.968 21.437 0.00 0.00 WT0 O +ATOM 1254 H1 TIP3 667 -13.017 21.628 21.967 0.00 0.00 WT0 H +ATOM 1255 H2 TIP3 667 -11.657 21.218 21.437 0.00 0.00 WT0 H +ATOM 1256 OH2 TIP3 672 21.194 16.033 9.395 0.00 0.00 WT0 O +ATOM 1257 H1 TIP3 672 20.524 16.063 10.075 0.00 0.00 WT0 H +ATOM 1258 H2 TIP3 672 21.014 15.223 8.915 0.00 0.00 WT0 H +ATOM 1259 OH2 TIP3 674 2.505 -25.104 -10.288 0.00 0.00 WT0 O +ATOM 1260 H1 TIP3 674 3.105 -24.814 -10.968 0.00 0.00 WT0 H +ATOM 1261 H2 TIP3 674 2.885 -24.784 -9.478 0.00 0.00 WT0 H +ATOM 1262 OH2 TIP3 675 6.998 -13.938 -1.138 0.00 0.00 WT0 O +ATOM 1263 H1 TIP3 675 7.408 -13.378 -1.788 0.00 0.00 WT0 H +ATOM 1264 H2 TIP3 675 6.238 -14.308 -1.578 0.00 0.00 WT0 H +ATOM 1265 OH2 TIP3 676 13.925 -24.855 -22.093 0.00 0.00 WT0 O +ATOM 1266 H1 TIP3 676 13.265 -24.605 -22.733 0.00 0.00 WT0 H +ATOM 1267 H2 TIP3 676 13.635 -25.705 -21.753 0.00 0.00 WT0 H +ATOM 1268 OH2 TIP3 677 0.998 15.868 -18.947 0.00 0.00 WT0 O +ATOM 1269 H1 TIP3 677 1.518 16.278 -19.627 0.00 0.00 WT0 H +ATOM 1270 H2 TIP3 677 1.258 14.948 -18.947 0.00 0.00 WT0 H +ATOM 1271 OH2 TIP3 679 8.807 23.313 -17.558 0.00 0.00 WT0 O +ATOM 1272 H1 TIP3 679 8.027 22.813 -17.808 0.00 0.00 WT0 H +ATOM 1273 H2 TIP3 679 8.677 24.173 -17.948 0.00 0.00 WT0 H +ATOM 1274 OH2 TIP3 680 18.465 21.124 17.315 0.00 0.00 WT0 O +ATOM 1275 H1 TIP3 680 18.735 22.004 17.575 0.00 0.00 WT0 H +ATOM 1276 H2 TIP3 680 18.625 20.574 18.075 0.00 0.00 WT0 H +ATOM 1277 OH2 TIP3 682 -23.079 -1.039 -13.483 0.00 0.00 WT0 O +ATOM 1278 H1 TIP3 682 -23.449 -1.779 -13.003 0.00 0.00 WT0 H +ATOM 1279 H2 TIP3 682 -22.239 -0.869 -13.053 0.00 0.00 WT0 H +ATOM 1280 OH2 TIP3 684 -0.992 16.745 -16.928 0.00 0.00 WT0 O +ATOM 1281 H1 TIP3 684 -0.422 15.975 -16.958 0.00 0.00 WT0 H +ATOM 1282 H2 TIP3 684 -1.012 16.995 -16.008 0.00 0.00 WT0 H +ATOM 1283 OH2 TIP3 686 15.608 -4.993 -19.101 0.00 0.00 WT0 O +ATOM 1284 H1 TIP3 686 14.968 -5.043 -18.391 0.00 0.00 WT0 H +ATOM 1285 H2 TIP3 686 16.458 -5.023 -18.661 0.00 0.00 WT0 H +ATOM 1286 OH2 TIP3 687 -24.674 -0.787 3.465 0.00 0.00 WT0 O +ATOM 1287 H1 TIP3 687 -24.544 -0.317 2.645 0.00 0.00 WT0 H +ATOM 1288 H2 TIP3 687 -24.584 -0.117 4.145 0.00 0.00 WT0 H +ATOM 1289 OH2 TIP3 699 3.035 -23.706 0.595 0.00 0.00 WT0 O +ATOM 1290 H1 TIP3 699 3.075 -24.246 -0.205 0.00 0.00 WT0 H +ATOM 1291 H2 TIP3 699 3.655 -22.996 0.425 0.00 0.00 WT0 H +ATOM 1292 OH2 TIP3 700 16.744 -10.340 13.049 0.00 0.00 WT0 O +ATOM 1293 H1 TIP3 700 16.514 -9.630 13.639 0.00 0.00 WT0 H +ATOM 1294 H2 TIP3 700 16.934 -9.920 12.209 0.00 0.00 WT0 H +ATOM 1295 OH2 TIP3 701 5.744 24.610 9.676 0.00 0.00 WT0 O +ATOM 1296 H1 TIP3 701 6.584 25.060 9.556 0.00 0.00 WT0 H +ATOM 1297 H2 TIP3 701 5.894 24.010 10.406 0.00 0.00 WT0 H +ATOM 1298 OH2 TIP3 702 12.959 -6.553 -16.320 0.00 0.00 WT0 O +ATOM 1299 H1 TIP3 702 13.559 -6.543 -15.570 0.00 0.00 WT0 H +ATOM 1300 H2 TIP3 702 12.649 -5.653 -16.390 0.00 0.00 WT0 H +ATOM 1301 OH2 TIP3 703 16.131 5.928 -0.421 0.00 0.00 WT0 O +ATOM 1302 H1 TIP3 703 15.881 5.358 0.299 0.00 0.00 WT0 H +ATOM 1303 H2 TIP3 703 16.701 5.388 -0.971 0.00 0.00 WT0 H +ATOM 1304 OH2 TIP3 704 -23.145 -4.388 0.816 0.00 0.00 WT0 O +ATOM 1305 H1 TIP3 704 -22.795 -4.278 1.706 0.00 0.00 WT0 H +ATOM 1306 H2 TIP3 704 -22.665 -3.738 0.296 0.00 0.00 WT0 H +ATOM 1307 OH2 TIP3 706 1.936 -13.047 13.573 0.00 0.00 WT0 O +ATOM 1308 H1 TIP3 706 1.126 -13.497 13.323 0.00 0.00 WT0 H +ATOM 1309 H2 TIP3 706 2.486 -13.097 12.783 0.00 0.00 WT0 H +ATOM 1310 OH2 TIP3 707 -7.725 6.866 2.613 0.00 0.00 WT0 O +ATOM 1311 H1 TIP3 707 -8.225 7.546 2.163 0.00 0.00 WT0 H +ATOM 1312 H2 TIP3 707 -7.345 7.306 3.363 0.00 0.00 WT0 H +ATOM 1313 OH2 TIP3 708 5.493 -9.006 -6.820 0.00 0.00 WT0 O +ATOM 1314 H1 TIP3 708 6.163 -9.246 -6.180 0.00 0.00 WT0 H +ATOM 1315 H2 TIP3 708 5.673 -9.566 -7.570 0.00 0.00 WT0 H +ATOM 1316 OH2 TIP3 710 -18.565 9.141 -8.373 0.00 0.00 WT0 O +ATOM 1317 H1 TIP3 710 -18.815 9.771 -9.043 0.00 0.00 WT0 H +ATOM 1318 H2 TIP3 710 -19.155 8.401 -8.503 0.00 0.00 WT0 H +ATOM 1319 OH2 TIP3 711 7.359 -6.949 -9.660 0.00 0.00 WT0 O +ATOM 1320 H1 TIP3 711 7.189 -6.969 -8.720 0.00 0.00 WT0 H +ATOM 1321 H2 TIP3 711 8.159 -6.429 -9.750 0.00 0.00 WT0 H +ATOM 1322 OH2 TIP3 713 -9.845 15.354 22.251 0.00 0.00 WT0 O +ATOM 1323 H1 TIP3 713 -9.345 14.814 22.861 0.00 0.00 WT0 H +ATOM 1324 H2 TIP3 713 -9.855 14.854 21.441 0.00 0.00 WT0 H +ATOM 1325 OH2 TIP3 717 1.016 24.624 20.555 0.00 0.00 WT0 O +ATOM 1326 H1 TIP3 717 1.526 24.054 19.975 0.00 0.00 WT0 H +ATOM 1327 H2 TIP3 717 1.166 25.504 20.205 0.00 0.00 WT0 H +ATOM 1328 OH2 TIP3 721 -23.459 21.429 8.486 0.00 0.00 WT0 O +ATOM 1329 H1 TIP3 721 -23.079 21.229 7.636 0.00 0.00 WT0 H +ATOM 1330 H2 TIP3 721 -23.239 22.349 8.636 0.00 0.00 WT0 H +ATOM 1331 OH2 TIP3 722 23.423 -1.650 7.817 0.00 0.00 WT0 O +ATOM 1332 H1 TIP3 722 23.523 -1.880 8.747 0.00 0.00 WT0 H +ATOM 1333 H2 TIP3 722 24.303 -1.750 7.457 0.00 0.00 WT0 H +ATOM 1334 OH2 TIP3 725 -4.342 -1.781 -3.924 0.00 0.00 WT0 O +ATOM 1335 H1 TIP3 725 -4.892 -1.281 -4.534 0.00 0.00 WT0 H +ATOM 1336 H2 TIP3 725 -3.512 -1.301 -3.904 0.00 0.00 WT0 H +ATOM 1337 OH2 TIP3 726 5.561 -11.153 -13.622 0.00 0.00 WT0 O +ATOM 1338 H1 TIP3 726 4.721 -10.773 -13.872 0.00 0.00 WT0 H +ATOM 1339 H2 TIP3 726 5.761 -11.763 -14.332 0.00 0.00 WT0 H +ATOM 1340 OH2 TIP3 733 -12.112 -21.728 15.886 0.00 0.00 WT0 O +ATOM 1341 H1 TIP3 733 -12.782 -21.178 15.496 0.00 0.00 WT0 H +ATOM 1342 H2 TIP3 733 -11.542 -21.988 15.156 0.00 0.00 WT0 H +ATOM 1343 OH2 TIP3 736 12.987 -5.183 -23.082 0.00 0.00 WT0 O +ATOM 1344 H1 TIP3 736 12.597 -6.033 -22.862 0.00 0.00 WT0 H +ATOM 1345 H2 TIP3 736 13.657 -5.053 -22.402 0.00 0.00 WT0 H +ATOM 1346 OH2 TIP3 737 -13.310 -5.748 -5.003 0.00 0.00 WT0 O +ATOM 1347 H1 TIP3 737 -12.770 -5.818 -4.213 0.00 0.00 WT0 H +ATOM 1348 H2 TIP3 737 -13.380 -6.648 -5.323 0.00 0.00 WT0 H +ATOM 1349 OH2 TIP3 738 0.765 2.899 -3.576 0.00 0.00 WT0 O +ATOM 1350 H1 TIP3 738 1.175 3.249 -4.366 0.00 0.00 WT0 H +ATOM 1351 H2 TIP3 738 1.245 2.079 -3.406 0.00 0.00 WT0 H +ATOM 1352 OH2 TIP3 741 13.034 -20.924 23.120 0.00 0.00 WT0 O +ATOM 1353 H1 TIP3 741 12.674 -21.314 23.920 0.00 0.00 WT0 H +ATOM 1354 H2 TIP3 741 13.714 -21.544 22.840 0.00 0.00 WT0 H +ATOM 1355 OH2 TIP3 746 -2.037 21.217 -20.581 0.00 0.00 WT0 O +ATOM 1356 H1 TIP3 746 -2.177 21.387 -21.511 0.00 0.00 WT0 H +ATOM 1357 H2 TIP3 746 -1.407 20.507 -20.561 0.00 0.00 WT0 H +ATOM 1358 OH2 TIP3 747 -6.412 4.812 20.190 0.00 0.00 WT0 O +ATOM 1359 H1 TIP3 747 -7.212 4.282 20.250 0.00 0.00 WT0 H +ATOM 1360 H2 TIP3 747 -6.682 5.602 19.730 0.00 0.00 WT0 H +ATOM 1361 OH2 TIP3 748 -17.030 22.706 -6.168 0.00 0.00 WT0 O +ATOM 1362 H1 TIP3 748 -17.060 23.566 -5.748 0.00 0.00 WT0 H +ATOM 1363 H2 TIP3 748 -16.120 22.596 -6.428 0.00 0.00 WT0 H +ATOM 1364 OH2 TIP3 749 14.400 1.082 -10.440 0.00 0.00 WT0 O +ATOM 1365 H1 TIP3 749 13.720 0.572 -10.000 0.00 0.00 WT0 H +ATOM 1366 H2 TIP3 749 15.040 1.282 -9.750 0.00 0.00 WT0 H +ATOM 1367 OH2 TIP3 759 -5.992 7.808 -5.354 0.00 0.00 WT0 O +ATOM 1368 H1 TIP3 759 -6.182 7.398 -4.514 0.00 0.00 WT0 H +ATOM 1369 H2 TIP3 759 -5.402 8.528 -5.144 0.00 0.00 WT0 H +ATOM 1370 OH2 TIP3 761 -17.075 25.071 -14.442 0.00 0.00 WT0 O +ATOM 1371 H1 TIP3 761 -16.795 24.191 -14.712 0.00 0.00 WT0 H +ATOM 1372 H2 TIP3 761 -17.165 25.551 -15.262 0.00 0.00 WT0 H +ATOM 1373 OH2 TIP3 765 -21.431 12.099 10.801 0.00 0.00 WT0 O +ATOM 1374 H1 TIP3 765 -22.051 11.449 10.471 0.00 0.00 WT0 H +ATOM 1375 H2 TIP3 765 -20.571 11.789 10.501 0.00 0.00 WT0 H +ATOM 1376 OH2 TIP3 778 -4.886 -25.087 -9.941 0.00 0.00 WT0 O +ATOM 1377 H1 TIP3 778 -5.606 -25.707 -9.861 0.00 0.00 WT0 H +ATOM 1378 H2 TIP3 778 -5.246 -24.387 -10.501 0.00 0.00 WT0 H +ATOM 1379 OH2 TIP3 785 12.737 -24.705 1.352 0.00 0.00 WT0 O +ATOM 1380 H1 TIP3 785 12.447 -24.715 2.262 0.00 0.00 WT0 H +ATOM 1381 H2 TIP3 785 13.037 -25.605 1.192 0.00 0.00 WT0 H +ATOM 1382 OH2 TIP3 787 13.719 23.251 -0.339 0.00 0.00 WT0 O +ATOM 1383 H1 TIP3 787 13.539 22.461 -0.849 0.00 0.00 WT0 H +ATOM 1384 H2 TIP3 787 14.329 22.971 0.341 0.00 0.00 WT0 H +ATOM 1385 OH2 TIP3 788 -21.116 3.443 24.273 0.00 0.00 WT0 O +ATOM 1386 H1 TIP3 788 -21.356 2.863 24.993 0.00 0.00 WT0 H +ATOM 1387 H2 TIP3 788 -20.426 2.973 23.803 0.00 0.00 WT0 H +ATOM 1388 OH2 TIP3 793 -2.369 11.050 -8.301 0.00 0.00 WT0 O +ATOM 1389 H1 TIP3 793 -2.469 11.670 -9.021 0.00 0.00 WT0 H +ATOM 1390 H2 TIP3 793 -3.069 10.420 -8.441 0.00 0.00 WT0 H +ATOM 1391 OH2 TIP3 796 -0.482 -12.551 -23.970 0.00 0.00 WT0 O +ATOM 1392 H1 TIP3 796 -0.592 -12.171 -24.840 0.00 0.00 WT0 H +ATOM 1393 H2 TIP3 796 -1.332 -12.431 -23.550 0.00 0.00 WT0 H +ATOM 1394 OH2 TIP3 806 3.050 -17.057 13.984 0.00 0.00 WT0 O +ATOM 1395 H1 TIP3 806 2.940 -17.957 14.264 0.00 0.00 WT0 H +ATOM 1396 H2 TIP3 806 2.270 -16.607 14.304 0.00 0.00 WT0 H +ATOM 1397 OH2 TIP3 809 16.594 2.336 23.656 0.00 0.00 WT0 O +ATOM 1398 H1 TIP3 809 17.464 2.716 23.506 0.00 0.00 WT0 H +ATOM 1399 H2 TIP3 809 15.984 3.046 23.446 0.00 0.00 WT0 H +ATOM 1400 OH2 TIP3 811 -14.663 19.663 10.235 0.00 0.00 WT0 O +ATOM 1401 H1 TIP3 811 -15.613 19.613 10.135 0.00 0.00 WT0 H +ATOM 1402 H2 TIP3 811 -14.363 20.103 9.435 0.00 0.00 WT0 H +ATOM 1403 OH2 TIP3 813 -21.189 -2.798 8.765 0.00 0.00 WT0 O +ATOM 1404 H1 TIP3 813 -20.679 -2.478 9.515 0.00 0.00 WT0 H +ATOM 1405 H2 TIP3 813 -20.779 -3.638 8.545 0.00 0.00 WT0 H +ATOM 1406 OH2 TIP3 817 9.604 6.431 23.875 0.00 0.00 WT0 O +ATOM 1407 H1 TIP3 817 8.754 6.071 23.615 0.00 0.00 WT0 H +ATOM 1408 H2 TIP3 817 9.814 7.071 23.195 0.00 0.00 WT0 H +ATOM 1409 OH2 TIP3 819 24.234 -15.389 6.506 0.00 0.00 WT0 O +ATOM 1410 H1 TIP3 819 24.454 -16.289 6.276 0.00 0.00 WT0 H +ATOM 1411 H2 TIP3 819 24.524 -15.289 7.406 0.00 0.00 WT0 H +ATOM 1412 OH2 TIP3 822 -17.429 -3.518 2.002 0.00 0.00 WT0 O +ATOM 1413 H1 TIP3 822 -17.399 -2.578 2.132 0.00 0.00 WT0 H +ATOM 1414 H2 TIP3 822 -18.149 -3.818 2.562 0.00 0.00 WT0 H +ATOM 1415 OH2 TIP3 835 -22.102 16.522 15.372 0.00 0.00 WT0 O +ATOM 1416 H1 TIP3 835 -22.292 16.312 14.462 0.00 0.00 WT0 H +ATOM 1417 H2 TIP3 835 -22.852 16.172 15.862 0.00 0.00 WT0 H +ATOM 1418 OH2 TIP3 849 -0.049 2.848 22.385 0.00 0.00 WT0 O +ATOM 1419 H1 TIP3 849 -0.839 2.448 22.015 0.00 0.00 WT0 H +ATOM 1420 H2 TIP3 849 0.141 2.328 23.165 0.00 0.00 WT0 H +ATOM 1421 OH2 TIP3 852 -21.873 7.170 -20.371 0.00 0.00 WT0 O +ATOM 1422 H1 TIP3 852 -21.833 6.750 -19.521 0.00 0.00 WT0 H +ATOM 1423 H2 TIP3 852 -21.783 6.460 -21.001 0.00 0.00 WT0 H +ATOM 1424 OH2 TIP3 854 -9.121 4.944 16.126 0.00 0.00 WT0 O +ATOM 1425 H1 TIP3 854 -9.501 4.834 15.256 0.00 0.00 WT0 H +ATOM 1426 H2 TIP3 854 -9.721 4.484 16.706 0.00 0.00 WT0 H +ATOM 1427 OH2 TIP3 867 8.519 10.165 -2.180 0.00 0.00 WT0 O +ATOM 1428 H1 TIP3 867 8.509 10.875 -1.540 0.00 0.00 WT0 H +ATOM 1429 H2 TIP3 867 8.319 10.595 -3.010 0.00 0.00 WT0 H +ATOM 1430 OH2 TIP3 878 11.226 17.785 -5.758 0.00 0.00 WT0 O +ATOM 1431 H1 TIP3 878 11.436 16.895 -6.048 0.00 0.00 WT0 H +ATOM 1432 H2 TIP3 878 10.506 18.055 -6.318 0.00 0.00 WT0 H +ATOM 1433 OH2 TIP3 883 7.129 -1.990 -13.248 0.00 0.00 WT0 O +ATOM 1434 H1 TIP3 883 6.389 -2.170 -13.828 0.00 0.00 WT0 H +ATOM 1435 H2 TIP3 883 7.039 -1.060 -13.018 0.00 0.00 WT0 H +ATOM 1436 OH2 TIP3 887 22.323 1.993 -8.403 0.00 0.00 WT0 O +ATOM 1437 H1 TIP3 887 21.753 1.223 -8.443 0.00 0.00 WT0 H +ATOM 1438 H2 TIP3 887 23.153 1.653 -8.083 0.00 0.00 WT0 H +ATOM 1439 OH2 TIP3 889 -24.887 -11.437 -5.263 0.00 0.00 WT0 O +ATOM 1440 H1 TIP3 889 -25.787 -11.357 -5.563 0.00 0.00 WT0 H +ATOM 1441 H2 TIP3 889 -24.357 -11.317 -6.043 0.00 0.00 WT0 H +ATOM 1442 OH2 TIP3 891 -0.289 13.847 17.960 0.00 0.00 WT0 O +ATOM 1443 H1 TIP3 891 0.281 13.127 18.230 0.00 0.00 WT0 H +ATOM 1444 H2 TIP3 891 -0.949 13.427 17.400 0.00 0.00 WT0 H +ATOM 1445 OH2 TIP3 894 19.287 18.369 7.286 0.00 0.00 WT0 O +ATOM 1446 H1 TIP3 894 19.717 18.969 7.896 0.00 0.00 WT0 H +ATOM 1447 H2 TIP3 894 19.857 18.359 6.516 0.00 0.00 WT0 H +ATOM 1448 OH2 TIP3 895 1.640 -4.110 12.496 0.00 0.00 WT0 O +ATOM 1449 H1 TIP3 895 1.900 -3.190 12.406 0.00 0.00 WT0 H +ATOM 1450 H2 TIP3 895 0.990 -4.100 13.196 0.00 0.00 WT0 H +ATOM 1451 OH2 TIP3 897 17.445 18.618 -15.583 0.00 0.00 WT0 O +ATOM 1452 H1 TIP3 897 17.205 18.878 -14.693 0.00 0.00 WT0 H +ATOM 1453 H2 TIP3 897 16.725 18.058 -15.873 0.00 0.00 WT0 H +ATOM 1454 OH2 TIP3 899 0.363 13.843 1.941 0.00 0.00 WT0 O +ATOM 1455 H1 TIP3 899 -0.427 13.743 2.461 0.00 0.00 WT0 H +ATOM 1456 H2 TIP3 899 0.203 14.613 1.391 0.00 0.00 WT0 H +ATOM 1457 OH2 TIP3 906 6.857 24.408 -12.074 0.00 0.00 WT0 O +ATOM 1458 H1 TIP3 906 6.327 24.048 -11.364 0.00 0.00 WT0 H +ATOM 1459 H2 TIP3 906 6.477 25.268 -12.244 0.00 0.00 WT0 H +ATOM 1460 OH2 TIP3 907 -11.591 -3.042 -17.883 0.00 0.00 WT0 O +ATOM 1461 H1 TIP3 907 -11.011 -2.432 -18.343 0.00 0.00 WT0 H +ATOM 1462 H2 TIP3 907 -11.991 -2.512 -17.183 0.00 0.00 WT0 H +ATOM 1463 OH2 TIP3 908 -3.541 23.209 24.254 0.00 0.00 WT0 O +ATOM 1464 H1 TIP3 908 -3.311 22.939 23.364 0.00 0.00 WT0 H +ATOM 1465 H2 TIP3 908 -4.361 22.749 24.444 0.00 0.00 WT0 H +ATOM 1466 OH2 TIP3 911 17.974 2.988 19.860 0.00 0.00 WT0 O +ATOM 1467 H1 TIP3 911 18.194 3.618 20.540 0.00 0.00 WT0 H +ATOM 1468 H2 TIP3 911 18.794 2.858 19.380 0.00 0.00 WT0 H +ATOM 1469 OH2 TIP3 912 -9.174 18.538 -3.291 0.00 0.00 WT0 O +ATOM 1470 H1 TIP3 912 -9.364 19.298 -2.741 0.00 0.00 WT0 H +ATOM 1471 H2 TIP3 912 -8.554 18.858 -3.941 0.00 0.00 WT0 H +ATOM 1472 OH2 TIP3 916 19.669 -21.022 -19.997 0.00 0.00 WT0 O +ATOM 1473 H1 TIP3 916 20.479 -21.502 -20.177 0.00 0.00 WT0 H +ATOM 1474 H2 TIP3 916 19.779 -20.692 -19.107 0.00 0.00 WT0 H +ATOM 1475 OH2 TIP3 917 4.563 10.008 -11.389 0.00 0.00 WT0 O +ATOM 1476 H1 TIP3 917 4.323 10.368 -10.539 0.00 0.00 WT0 H +ATOM 1477 H2 TIP3 917 4.653 10.768 -11.959 0.00 0.00 WT0 H +ATOM 1478 OH2 TIP3 924 16.554 4.102 -6.897 0.00 0.00 WT0 O +ATOM 1479 H1 TIP3 924 16.814 3.522 -7.617 0.00 0.00 WT0 H +ATOM 1480 H2 TIP3 924 17.304 4.082 -6.297 0.00 0.00 WT0 H +ATOM 1481 OH2 TIP3 927 -2.879 -11.710 19.025 0.00 0.00 WT0 O +ATOM 1482 H1 TIP3 927 -2.959 -12.580 19.405 0.00 0.00 WT0 H +ATOM 1483 H2 TIP3 927 -3.779 -11.470 18.785 0.00 0.00 WT0 H +ATOM 1484 OH2 TIP3 928 -22.044 -8.523 -11.136 0.00 0.00 WT0 O +ATOM 1485 H1 TIP3 928 -21.784 -9.403 -10.866 0.00 0.00 WT0 H +ATOM 1486 H2 TIP3 928 -22.874 -8.363 -10.686 0.00 0.00 WT0 H +ATOM 1487 OH2 TIP3 929 13.933 2.680 -23.918 0.00 0.00 WT0 O +ATOM 1488 H1 TIP3 929 14.523 3.430 -23.858 0.00 0.00 WT0 H +ATOM 1489 H2 TIP3 929 14.423 2.030 -24.418 0.00 0.00 WT0 H +ATOM 1490 OH2 TIP3 930 -4.616 -0.338 8.399 0.00 0.00 WT0 O +ATOM 1491 H1 TIP3 930 -4.486 -1.008 7.729 0.00 0.00 WT0 H +ATOM 1492 H2 TIP3 930 -5.446 -0.568 8.809 0.00 0.00 WT0 H +ATOM 1493 OH2 TIP3 932 2.939 -10.590 5.329 0.00 0.00 WT0 O +ATOM 1494 H1 TIP3 932 3.429 -10.830 6.119 0.00 0.00 WT0 H +ATOM 1495 H2 TIP3 932 2.229 -10.040 5.649 0.00 0.00 WT0 H +ATOM 1496 OH2 TIP3 933 -3.347 17.789 1.671 0.00 0.00 WT0 O +ATOM 1497 H1 TIP3 933 -2.437 17.769 1.971 0.00 0.00 WT0 H +ATOM 1498 H2 TIP3 933 -3.467 18.669 1.321 0.00 0.00 WT0 H +ATOM 1499 OH2 TIP3 936 -6.183 -16.096 -20.029 0.00 0.00 WT0 O +ATOM 1500 H1 TIP3 936 -5.293 -16.056 -19.659 0.00 0.00 WT0 H +ATOM 1501 H2 TIP3 936 -6.563 -15.246 -19.829 0.00 0.00 WT0 H +ATOM 1502 OH2 TIP3 940 24.527 -13.579 23.255 0.00 0.00 WT0 O +ATOM 1503 H1 TIP3 940 25.277 -13.139 23.655 0.00 0.00 WT0 H +ATOM 1504 H2 TIP3 940 24.227 -12.979 22.575 0.00 0.00 WT0 H +ATOM 1505 OH2 TIP3 941 -13.307 25.125 -19.040 0.00 0.00 WT0 O +ATOM 1506 H1 TIP3 941 -13.607 24.255 -18.750 0.00 0.00 WT0 H +ATOM 1507 H2 TIP3 941 -14.047 25.485 -19.530 0.00 0.00 WT0 H +ATOM 1508 OH2 TIP3 942 -9.334 13.270 -9.252 0.00 0.00 WT0 O +ATOM 1509 H1 TIP3 942 -8.514 12.870 -8.962 0.00 0.00 WT0 H +ATOM 1510 H2 TIP3 942 -9.704 12.640 -9.872 0.00 0.00 WT0 H +ATOM 1511 OH2 TIP3 947 10.461 -7.795 -21.319 0.00 0.00 WT0 O +ATOM 1512 H1 TIP3 947 10.911 -8.505 -21.779 0.00 0.00 WT0 H +ATOM 1513 H2 TIP3 947 10.881 -7.775 -20.459 0.00 0.00 WT0 H +ATOM 1514 OH2 TIP3 948 -12.493 10.945 9.325 0.00 0.00 WT0 O +ATOM 1515 H1 TIP3 948 -13.353 10.545 9.425 0.00 0.00 WT0 H +ATOM 1516 H2 TIP3 948 -12.523 11.395 8.485 0.00 0.00 WT0 H +ATOM 1517 OH2 TIP3 949 10.514 -15.239 22.587 0.00 0.00 WT0 O +ATOM 1518 H1 TIP3 949 10.194 -15.899 23.197 0.00 0.00 WT0 H +ATOM 1519 H2 TIP3 949 10.104 -15.459 21.757 0.00 0.00 WT0 H +ATOM 1520 OH2 TIP3 950 -12.251 7.304 14.695 0.00 0.00 WT0 O +ATOM 1521 H1 TIP3 950 -12.511 8.214 14.555 0.00 0.00 WT0 H +ATOM 1522 H2 TIP3 950 -12.421 6.884 13.855 0.00 0.00 WT0 H +ATOM 1523 OH2 TIP3 951 15.187 16.971 3.865 0.00 0.00 WT0 O +ATOM 1524 H1 TIP3 951 15.237 16.011 3.815 0.00 0.00 WT0 H +ATOM 1525 H2 TIP3 951 14.557 17.141 4.565 0.00 0.00 WT0 H +ATOM 1526 OH2 TIP3 952 -6.552 10.251 21.598 0.00 0.00 WT0 O +ATOM 1527 H1 TIP3 952 -6.412 9.551 20.968 0.00 0.00 WT0 H +ATOM 1528 H2 TIP3 952 -6.042 10.991 21.248 0.00 0.00 WT0 H +ATOM 1529 OH2 TIP3 953 22.930 -22.852 6.655 0.00 0.00 WT0 O +ATOM 1530 H1 TIP3 953 22.520 -22.942 7.515 0.00 0.00 WT0 H +ATOM 1531 H2 TIP3 953 23.380 -23.682 6.515 0.00 0.00 WT0 H +ATOM 1532 OH2 TIP3 954 18.065 23.387 -3.064 0.00 0.00 WT0 O +ATOM 1533 H1 TIP3 954 18.685 22.737 -2.734 0.00 0.00 WT0 H +ATOM 1534 H2 TIP3 954 17.425 23.477 -2.354 0.00 0.00 WT0 H +ATOM 1535 OH2 TIP3 958 18.906 13.221 -1.045 0.00 0.00 WT0 O +ATOM 1536 H1 TIP3 958 19.036 14.061 -1.495 0.00 0.00 WT0 H +ATOM 1537 H2 TIP3 958 19.456 13.281 -0.265 0.00 0.00 WT0 H +ATOM 1538 OH2 TIP3 961 -6.570 25.158 5.777 0.00 0.00 WT0 O +ATOM 1539 H1 TIP3 961 -7.230 25.858 5.767 0.00 0.00 WT0 H +ATOM 1540 H2 TIP3 961 -6.800 24.608 5.037 0.00 0.00 WT0 H +ATOM 1541 OH2 TIP3 962 -0.842 -7.920 24.819 0.00 0.00 WT0 O +ATOM 1542 H1 TIP3 962 -1.742 -8.090 25.069 0.00 0.00 WT0 H +ATOM 1543 H2 TIP3 962 -0.762 -6.970 24.829 0.00 0.00 WT0 H +ATOM 1544 OH2 TIP3 964 -6.734 -20.138 -6.245 0.00 0.00 WT0 O +ATOM 1545 H1 TIP3 964 -7.604 -20.538 -6.305 0.00 0.00 WT0 H +ATOM 1546 H2 TIP3 964 -6.134 -20.828 -6.525 0.00 0.00 WT0 H +ATOM 1547 OH2 TIP3 970 -7.869 -9.770 2.129 0.00 0.00 WT0 O +ATOM 1548 H1 TIP3 970 -7.729 -10.330 1.359 0.00 0.00 WT0 H +ATOM 1549 H2 TIP3 970 -8.649 -9.270 1.909 0.00 0.00 WT0 H +ATOM 1550 OH2 TIP3 972 -14.494 6.492 -5.405 0.00 0.00 WT0 O +ATOM 1551 H1 TIP3 972 -14.144 7.382 -5.455 0.00 0.00 WT0 H +ATOM 1552 H2 TIP3 972 -14.494 6.192 -6.315 0.00 0.00 WT0 H +ATOM 1553 OH2 TIP3 974 20.356 -0.138 2.617 0.00 0.00 WT0 O +ATOM 1554 H1 TIP3 974 20.516 -0.618 1.807 0.00 0.00 WT0 H +ATOM 1555 H2 TIP3 974 20.746 -0.688 3.297 0.00 0.00 WT0 H +ATOM 1556 OH2 TIP3 975 -16.762 -11.295 18.725 0.00 0.00 WT0 O +ATOM 1557 H1 TIP3 975 -16.162 -10.995 19.405 0.00 0.00 WT0 H +ATOM 1558 H2 TIP3 975 -17.042 -12.165 19.015 0.00 0.00 WT0 H +ATOM 1559 OH2 TIP3 977 -25.014 -2.921 9.838 0.00 0.00 WT0 O +ATOM 1560 H1 TIP3 977 -24.244 -3.191 10.328 0.00 0.00 WT0 H +ATOM 1561 H2 TIP3 977 -24.794 -3.091 8.918 0.00 0.00 WT0 H +ATOM 1562 OH2 TIP3 978 -20.652 9.677 -3.452 0.00 0.00 WT0 O +ATOM 1563 H1 TIP3 978 -20.682 9.237 -2.602 0.00 0.00 WT0 H +ATOM 1564 H2 TIP3 978 -21.252 9.177 -4.002 0.00 0.00 WT0 H +ATOM 1565 OH2 TIP3 982 -9.430 21.498 5.952 0.00 0.00 WT0 O +ATOM 1566 H1 TIP3 982 -9.700 20.588 5.942 0.00 0.00 WT0 H +ATOM 1567 H2 TIP3 982 -8.620 21.518 5.442 0.00 0.00 WT0 H +ATOM 1568 OH2 TIP3 983 -19.570 -21.745 -23.306 0.00 0.00 WT0 O +ATOM 1569 H1 TIP3 983 -19.650 -20.795 -23.316 0.00 0.00 WT0 H +ATOM 1570 H2 TIP3 983 -20.130 -22.035 -24.026 0.00 0.00 WT0 H +ATOM 1571 OH2 TIP3 985 6.575 -24.777 22.076 0.00 0.00 WT0 O +ATOM 1572 H1 TIP3 985 6.755 -25.077 22.966 0.00 0.00 WT0 H +ATOM 1573 H2 TIP3 985 7.375 -24.957 21.586 0.00 0.00 WT0 H +ATOM 1574 OH2 TIP3 988 -1.037 -16.639 24.661 0.00 0.00 WT0 O +ATOM 1575 H1 TIP3 988 -1.677 -15.939 24.781 0.00 0.00 WT0 H +ATOM 1576 H2 TIP3 988 -1.337 -17.099 23.871 0.00 0.00 WT0 H +ATOM 1577 OH2 TIP3 989 13.165 -4.010 0.543 0.00 0.00 WT0 O +ATOM 1578 H1 TIP3 989 13.255 -4.600 1.283 0.00 0.00 WT0 H +ATOM 1579 H2 TIP3 989 13.795 -3.310 0.713 0.00 0.00 WT0 H +ATOM 1580 OH2 TIP3 990 -19.764 -0.321 9.306 0.00 0.00 WT0 O +ATOM 1581 H1 TIP3 990 -19.834 -0.001 8.406 0.00 0.00 WT0 H +ATOM 1582 H2 TIP3 990 -20.084 0.399 9.846 0.00 0.00 WT0 H +ATOM 1583 OH2 TIP3 991 -13.391 13.220 15.981 0.00 0.00 WT0 O +ATOM 1584 H1 TIP3 991 -12.451 13.380 16.081 0.00 0.00 WT0 H +ATOM 1585 H2 TIP3 991 -13.501 13.020 15.051 0.00 0.00 WT0 H +ATOM 1586 OH2 TIP3 992 8.499 -24.154 -24.232 0.00 0.00 WT0 O +ATOM 1587 H1 TIP3 992 8.369 -24.884 -24.822 0.00 0.00 WT0 H +ATOM 1588 H2 TIP3 992 8.509 -23.374 -24.792 0.00 0.00 WT0 H +ATOM 1589 OH2 TIP3 994 0.807 -11.241 -1.064 0.00 0.00 WT0 O +ATOM 1590 H1 TIP3 994 0.457 -10.611 -1.694 0.00 0.00 WT0 H +ATOM 1591 H2 TIP3 994 0.037 -11.761 -0.794 0.00 0.00 WT0 H +ATOM 1592 OH2 TIP3 995 0.331 -10.145 -9.309 0.00 0.00 WT0 O +ATOM 1593 H1 TIP3 995 -0.249 -9.415 -9.069 0.00 0.00 WT0 H +ATOM 1594 H2 TIP3 995 1.001 -10.145 -8.629 0.00 0.00 WT0 H +ATOM 1595 OH2 TIP3 996 -14.497 -17.490 -17.268 0.00 0.00 WT0 O +ATOM 1596 H1 TIP3 996 -13.927 -16.840 -17.688 0.00 0.00 WT0 H +ATOM 1597 H2 TIP3 996 -14.697 -18.110 -17.968 0.00 0.00 WT0 H +ATOM 1598 OH2 TIP3 1004 8.048 -24.337 0.023 0.00 0.00 WT0 O +ATOM 1599 H1 TIP3 1004 8.288 -24.407 -0.907 0.00 0.00 WT0 H +ATOM 1600 H2 TIP3 1004 7.668 -23.457 0.103 0.00 0.00 WT0 H +ATOM 1601 OH2 TIP3 1007 12.854 -0.649 -8.385 0.00 0.00 WT0 O +ATOM 1602 H1 TIP3 1007 12.514 0.221 -8.155 0.00 0.00 WT0 H +ATOM 1603 H2 TIP3 1007 12.104 -1.099 -8.795 0.00 0.00 WT0 H +ATOM 1604 OH2 TIP3 1011 -17.025 19.644 8.801 0.00 0.00 WT0 O +ATOM 1605 H1 TIP3 1011 -16.785 19.544 7.881 0.00 0.00 WT0 H +ATOM 1606 H2 TIP3 1011 -17.635 18.934 8.971 0.00 0.00 WT0 H +ATOM 1607 OH2 TIP3 1012 -8.535 -16.938 -11.913 0.00 0.00 WT0 O +ATOM 1608 H1 TIP3 1012 -9.375 -17.398 -11.813 0.00 0.00 WT0 H +ATOM 1609 H2 TIP3 1012 -8.635 -16.128 -11.423 0.00 0.00 WT0 H +ATOM 1610 OH2 TIP3 1013 -9.514 -2.634 -21.521 0.00 0.00 WT0 O +ATOM 1611 H1 TIP3 1013 -8.974 -2.424 -22.281 0.00 0.00 WT0 H +ATOM 1612 H2 TIP3 1013 -9.104 -2.164 -20.801 0.00 0.00 WT0 H +ATOM 1613 OH2 TIP3 1014 13.421 1.666 8.429 0.00 0.00 WT0 O +ATOM 1614 H1 TIP3 1014 14.151 2.256 8.589 0.00 0.00 WT0 H +ATOM 1615 H2 TIP3 1014 13.451 1.476 7.499 0.00 0.00 WT0 H +ATOM 1616 OH2 TIP3 1017 8.085 23.526 -14.594 0.00 0.00 WT0 O +ATOM 1617 H1 TIP3 1017 7.285 23.376 -15.084 0.00 0.00 WT0 H +ATOM 1618 H2 TIP3 1017 7.795 23.846 -13.744 0.00 0.00 WT0 H +ATOM 1619 OH2 TIP3 1018 20.046 23.368 14.679 0.00 0.00 WT0 O +ATOM 1620 H1 TIP3 1018 20.766 23.988 14.589 0.00 0.00 WT0 H +ATOM 1621 H2 TIP3 1018 19.586 23.398 13.839 0.00 0.00 WT0 H +ATOM 1622 OH2 TIP3 1020 4.515 -16.911 -7.183 0.00 0.00 WT0 O +ATOM 1623 H1 TIP3 1020 5.425 -17.041 -7.463 0.00 0.00 WT0 H +ATOM 1624 H2 TIP3 1020 4.195 -16.191 -7.733 0.00 0.00 WT0 H +ATOM 1625 OH2 TIP3 1022 -9.084 -4.771 -18.451 0.00 0.00 WT0 O +ATOM 1626 H1 TIP3 1022 -8.454 -4.401 -17.831 0.00 0.00 WT0 H +ATOM 1627 H2 TIP3 1022 -9.934 -4.541 -18.081 0.00 0.00 WT0 H +ATOM 1628 OH2 TIP3 1023 15.007 18.876 -20.200 0.00 0.00 WT0 O +ATOM 1629 H1 TIP3 1023 15.697 19.486 -19.950 0.00 0.00 WT0 H +ATOM 1630 H2 TIP3 1023 15.077 18.826 -21.160 0.00 0.00 WT0 H +ATOM 1631 OH2 TIP3 1027 11.183 -5.507 14.415 0.00 0.00 WT0 O +ATOM 1632 H1 TIP3 1027 10.553 -5.367 15.115 0.00 0.00 WT0 H +ATOM 1633 H2 TIP3 1027 11.283 -4.637 14.015 0.00 0.00 WT0 H +ATOM 1634 OH2 TIP3 1032 9.138 14.832 -16.920 0.00 0.00 WT0 O +ATOM 1635 H1 TIP3 1032 8.398 15.222 -17.400 0.00 0.00 WT0 H +ATOM 1636 H2 TIP3 1032 9.268 15.402 -16.170 0.00 0.00 WT0 H +ATOM 1637 OH2 TIP3 1033 1.908 -22.957 19.426 0.00 0.00 WT0 O +ATOM 1638 H1 TIP3 1033 2.758 -23.137 19.836 0.00 0.00 WT0 H +ATOM 1639 H2 TIP3 1033 2.048 -23.147 18.496 0.00 0.00 WT0 H +ATOM 1640 OH2 TIP3 1036 -15.312 -20.095 -14.615 0.00 0.00 WT0 O +ATOM 1641 H1 TIP3 1036 -15.872 -20.635 -15.165 0.00 0.00 WT0 H +ATOM 1642 H2 TIP3 1036 -14.512 -19.975 -15.115 0.00 0.00 WT0 H +ATOM 1643 OH2 TIP3 1039 -1.021 -4.588 5.427 0.00 0.00 WT0 O +ATOM 1644 H1 TIP3 1039 -1.881 -4.828 5.077 0.00 0.00 WT0 H +ATOM 1645 H2 TIP3 1039 -0.751 -3.818 4.917 0.00 0.00 WT0 H +ATOM 1646 OH2 TIP3 1040 6.306 -17.095 -12.581 0.00 0.00 WT0 O +ATOM 1647 H1 TIP3 1040 6.766 -17.385 -11.791 0.00 0.00 WT0 H +ATOM 1648 H2 TIP3 1040 6.956 -16.565 -13.051 0.00 0.00 WT0 H +ATOM 1649 OH2 TIP3 1042 -7.504 7.930 -25.269 0.00 0.00 WT0 O +ATOM 1650 H1 TIP3 1042 -8.434 7.740 -25.159 0.00 0.00 WT0 H +ATOM 1651 H2 TIP3 1042 -7.054 7.160 -24.919 0.00 0.00 WT0 H +ATOM 1652 OH2 TIP3 1043 1.050 20.480 -13.502 0.00 0.00 WT0 O +ATOM 1653 H1 TIP3 1043 1.610 20.500 -14.282 0.00 0.00 WT0 H +ATOM 1654 H2 TIP3 1043 0.160 20.570 -13.842 0.00 0.00 WT0 H +ATOM 1655 OH2 TIP3 1045 22.304 24.473 -18.398 0.00 0.00 WT0 O +ATOM 1656 H1 TIP3 1045 21.684 23.763 -18.558 0.00 0.00 WT0 H +ATOM 1657 H2 TIP3 1045 22.954 24.383 -19.088 0.00 0.00 WT0 H +ATOM 1658 OH2 TIP3 1053 2.834 23.520 12.986 0.00 0.00 WT0 O +ATOM 1659 H1 TIP3 1053 2.064 22.970 13.116 0.00 0.00 WT0 H +ATOM 1660 H2 TIP3 1053 2.684 23.940 12.146 0.00 0.00 WT0 H +ATOM 1661 OH2 TIP3 1055 4.925 0.698 -4.985 0.00 0.00 WT0 O +ATOM 1662 H1 TIP3 1055 5.875 0.698 -4.855 0.00 0.00 WT0 H +ATOM 1663 H2 TIP3 1055 4.815 0.438 -5.905 0.00 0.00 WT0 H +ATOM 1664 OH2 TIP3 1056 -12.930 12.733 13.455 0.00 0.00 WT0 O +ATOM 1665 H1 TIP3 1056 -11.980 12.613 13.515 0.00 0.00 WT0 H +ATOM 1666 H2 TIP3 1056 -13.130 12.563 12.535 0.00 0.00 WT0 H +ATOM 1667 OH2 TIP3 1057 21.903 12.881 -22.449 0.00 0.00 WT0 O +ATOM 1668 H1 TIP3 1057 21.693 12.481 -21.599 0.00 0.00 WT0 H +ATOM 1669 H2 TIP3 1057 22.853 12.871 -22.489 0.00 0.00 WT0 H +ATOM 1670 OH2 TIP3 1058 19.126 -7.637 -3.415 0.00 0.00 WT0 O +ATOM 1671 H1 TIP3 1058 19.176 -8.547 -3.685 0.00 0.00 WT0 H +ATOM 1672 H2 TIP3 1058 19.526 -7.147 -4.135 0.00 0.00 WT0 H +ATOM 1673 OH2 TIP3 1059 -13.474 -8.202 18.354 0.00 0.00 WT0 O +ATOM 1674 H1 TIP3 1059 -13.564 -9.012 18.864 0.00 0.00 WT0 H +ATOM 1675 H2 TIP3 1059 -13.414 -8.492 17.444 0.00 0.00 WT0 H +ATOM 1676 OH2 TIP3 1060 -1.697 0.787 -17.015 0.00 0.00 WT0 O +ATOM 1677 H1 TIP3 1060 -2.547 0.447 -17.295 0.00 0.00 WT0 H +ATOM 1678 H2 TIP3 1060 -1.497 1.477 -17.655 0.00 0.00 WT0 H +ATOM 1679 OH2 TIP3 1061 15.133 -21.685 -7.378 0.00 0.00 WT0 O +ATOM 1680 H1 TIP3 1061 15.603 -22.125 -8.088 0.00 0.00 WT0 H +ATOM 1681 H2 TIP3 1061 15.733 -21.005 -7.078 0.00 0.00 WT0 H +ATOM 1682 OH2 TIP3 1062 -17.207 -18.847 -10.384 0.00 0.00 WT0 O +ATOM 1683 H1 TIP3 1062 -17.247 -17.897 -10.464 0.00 0.00 WT0 H +ATOM 1684 H2 TIP3 1062 -18.007 -19.157 -10.814 0.00 0.00 WT0 H +ATOM 1685 OH2 TIP3 1063 23.026 23.151 17.202 0.00 0.00 WT0 O +ATOM 1686 H1 TIP3 1063 23.376 23.981 17.512 0.00 0.00 WT0 H +ATOM 1687 H2 TIP3 1063 22.806 23.301 16.282 0.00 0.00 WT0 H +ATOM 1688 OH2 TIP3 1064 -22.262 9.850 -21.193 0.00 0.00 WT0 O +ATOM 1689 H1 TIP3 1064 -21.602 10.220 -21.773 0.00 0.00 WT0 H +ATOM 1690 H2 TIP3 1064 -21.982 8.940 -21.063 0.00 0.00 WT0 H +ATOM 1691 OH2 TIP3 1065 19.820 7.939 -23.308 0.00 0.00 WT0 O +ATOM 1692 H1 TIP3 1065 19.120 7.299 -23.228 0.00 0.00 WT0 H +ATOM 1693 H2 TIP3 1065 19.740 8.479 -22.518 0.00 0.00 WT0 H +ATOM 1694 OH2 TIP3 1066 -23.789 -8.716 -2.878 0.00 0.00 WT0 O +ATOM 1695 H1 TIP3 1066 -23.899 -7.966 -3.458 0.00 0.00 WT0 H +ATOM 1696 H2 TIP3 1066 -23.529 -9.436 -3.458 0.00 0.00 WT0 H +ATOM 1697 OH2 TIP3 1069 -24.042 1.249 19.152 0.00 0.00 WT0 O +ATOM 1698 H1 TIP3 1069 -23.492 0.479 19.052 0.00 0.00 WT0 H +ATOM 1699 H2 TIP3 1069 -24.182 1.329 20.102 0.00 0.00 WT0 H +ATOM 1700 OH2 TIP3 1076 -21.304 23.915 22.862 0.00 0.00 WT0 O +ATOM 1701 H1 TIP3 1076 -21.914 23.425 22.302 0.00 0.00 WT0 H +ATOM 1702 H2 TIP3 1076 -21.254 23.405 23.662 0.00 0.00 WT0 H +ATOM 1703 OH2 TIP3 1077 -15.170 1.843 -2.654 0.00 0.00 WT0 O +ATOM 1704 H1 TIP3 1077 -14.660 2.583 -2.974 0.00 0.00 WT0 H +ATOM 1705 H2 TIP3 1077 -16.050 1.983 -3.004 0.00 0.00 WT0 H +ATOM 1706 OH2 TIP3 1078 -3.539 3.498 3.845 0.00 0.00 WT0 O +ATOM 1707 H1 TIP3 1078 -4.359 3.568 4.345 0.00 0.00 WT0 H +ATOM 1708 H2 TIP3 1078 -2.909 3.988 4.365 0.00 0.00 WT0 H +ATOM 1709 OH2 TIP3 1080 6.071 -11.510 -20.471 0.00 0.00 WT0 O +ATOM 1710 H1 TIP3 1080 5.281 -11.910 -20.821 0.00 0.00 WT0 H +ATOM 1711 H2 TIP3 1080 6.251 -10.780 -21.061 0.00 0.00 WT0 H +ATOM 1712 OH2 TIP3 1081 16.920 4.525 10.471 0.00 0.00 WT0 O +ATOM 1713 H1 TIP3 1081 17.180 3.705 10.051 0.00 0.00 WT0 H +ATOM 1714 H2 TIP3 1081 16.800 4.285 11.391 0.00 0.00 WT0 H +ATOM 1715 OH2 TIP3 1082 0.214 10.645 1.092 0.00 0.00 WT0 O +ATOM 1716 H1 TIP3 1082 0.134 11.585 1.272 0.00 0.00 WT0 H +ATOM 1717 H2 TIP3 1082 0.614 10.605 0.222 0.00 0.00 WT0 H +ATOM 1718 OH2 TIP3 1083 1.517 11.131 -4.274 0.00 0.00 WT0 O +ATOM 1719 H1 TIP3 1083 2.067 11.901 -4.114 0.00 0.00 WT0 H +ATOM 1720 H2 TIP3 1083 1.297 11.191 -5.204 0.00 0.00 WT0 H +ATOM 1721 OH2 TIP3 1085 -22.983 23.601 19.942 0.00 0.00 WT0 O +ATOM 1722 H1 TIP3 1085 -22.133 23.991 19.722 0.00 0.00 WT0 H +ATOM 1723 H2 TIP3 1085 -22.813 22.651 19.952 0.00 0.00 WT0 H +ATOM 1724 OH2 TIP3 1087 -2.414 23.019 -4.660 0.00 0.00 WT0 O +ATOM 1725 H1 TIP3 1087 -2.404 23.099 -5.620 0.00 0.00 WT0 H +ATOM 1726 H2 TIP3 1087 -1.744 23.629 -4.360 0.00 0.00 WT0 H +ATOM 1727 OH2 TIP3 1090 -7.455 -1.938 4.555 0.00 0.00 WT0 O +ATOM 1728 H1 TIP3 1090 -7.205 -1.138 4.085 0.00 0.00 WT0 H +ATOM 1729 H2 TIP3 1090 -7.905 -2.468 3.905 0.00 0.00 WT0 H +ATOM 1730 OH2 TIP3 1096 1.430 -2.131 2.781 0.00 0.00 WT0 O +ATOM 1731 H1 TIP3 1096 1.510 -3.081 2.891 0.00 0.00 WT0 H +ATOM 1732 H2 TIP3 1096 0.880 -2.031 2.001 0.00 0.00 WT0 H +ATOM 1733 OH2 TIP3 1097 -14.911 -4.518 1.051 0.00 0.00 WT0 O +ATOM 1734 H1 TIP3 1097 -15.021 -5.068 1.831 0.00 0.00 WT0 H +ATOM 1735 H2 TIP3 1097 -15.541 -3.808 1.171 0.00 0.00 WT0 H +ATOM 1736 OH2 TIP3 1098 15.671 -0.032 -24.375 0.00 0.00 WT0 O +ATOM 1737 H1 TIP3 1098 16.001 -0.622 -25.045 0.00 0.00 WT0 H +ATOM 1738 H2 TIP3 1098 15.001 -0.532 -23.915 0.00 0.00 WT0 H +ATOM 1739 OH2 TIP3 1099 14.574 -0.741 -15.493 0.00 0.00 WT0 O +ATOM 1740 H1 TIP3 1099 15.244 -0.341 -16.043 0.00 0.00 WT0 H +ATOM 1741 H2 TIP3 1099 13.744 -0.401 -15.823 0.00 0.00 WT0 H +ATOM 1742 OH2 TIP3 1101 20.696 21.608 -6.568 0.00 0.00 WT0 O +ATOM 1743 H1 TIP3 1101 20.986 20.858 -6.058 0.00 0.00 WT0 H +ATOM 1744 H2 TIP3 1101 21.496 21.948 -6.978 0.00 0.00 WT0 H +ATOM 1745 OH2 TIP3 1102 -1.023 -1.271 -7.111 0.00 0.00 WT0 O +ATOM 1746 H1 TIP3 1102 -0.293 -1.201 -6.501 0.00 0.00 WT0 H +ATOM 1747 H2 TIP3 1102 -0.803 -2.011 -7.671 0.00 0.00 WT0 H +ATOM 1748 OH2 TIP3 1103 -25.289 -12.048 -24.303 0.00 0.00 WT0 O +ATOM 1749 H1 TIP3 1103 -24.469 -12.188 -24.793 0.00 0.00 WT0 H +ATOM 1750 H2 TIP3 1103 -25.309 -12.758 -23.663 0.00 0.00 WT0 H +ATOM 1751 OH2 TIP3 1104 0.907 19.445 -0.168 0.00 0.00 WT0 O +ATOM 1752 H1 TIP3 1104 1.817 19.565 -0.448 0.00 0.00 WT0 H +ATOM 1753 H2 TIP3 1104 0.387 19.945 -0.798 0.00 0.00 WT0 H +ATOM 1754 OH2 TIP3 1105 -6.300 8.150 -0.359 0.00 0.00 WT0 O +ATOM 1755 H1 TIP3 1105 -6.140 8.900 -0.939 0.00 0.00 WT0 H +ATOM 1756 H2 TIP3 1105 -7.140 7.800 -0.629 0.00 0.00 WT0 H +ATOM 1757 OH2 TIP3 1107 -18.993 15.505 16.106 0.00 0.00 WT0 O +ATOM 1758 H1 TIP3 1107 -18.143 15.345 16.506 0.00 0.00 WT0 H +ATOM 1759 H2 TIP3 1107 -18.813 16.065 15.356 0.00 0.00 WT0 H +ATOM 1760 OH2 TIP3 1112 -18.449 -7.501 -22.055 0.00 0.00 WT0 O +ATOM 1761 H1 TIP3 1112 -18.319 -6.771 -21.455 0.00 0.00 WT0 H +ATOM 1762 H2 TIP3 1112 -18.399 -7.101 -22.925 0.00 0.00 WT0 H +ATOM 1763 OH2 TIP3 1113 -13.912 19.788 16.919 0.00 0.00 WT0 O +ATOM 1764 H1 TIP3 1113 -14.362 19.198 16.309 0.00 0.00 WT0 H +ATOM 1765 H2 TIP3 1113 -13.432 19.198 17.509 0.00 0.00 WT0 H +ATOM 1766 OH2 TIP3 1115 -5.582 5.780 5.306 0.00 0.00 WT0 O +ATOM 1767 H1 TIP3 1115 -5.582 5.410 6.186 0.00 0.00 WT0 H +ATOM 1768 H2 TIP3 1115 -6.202 6.510 5.346 0.00 0.00 WT0 H +ATOM 1769 OH2 TIP3 1116 2.469 -9.587 13.595 0.00 0.00 WT0 O +ATOM 1770 H1 TIP3 1116 2.489 -8.647 13.785 0.00 0.00 WT0 H +ATOM 1771 H2 TIP3 1116 2.169 -9.647 12.685 0.00 0.00 WT0 H +ATOM 1772 OH2 TIP3 1117 -3.984 21.370 22.339 0.00 0.00 WT0 O +ATOM 1773 H1 TIP3 1117 -4.204 20.500 22.009 0.00 0.00 WT0 H +ATOM 1774 H2 TIP3 1117 -3.034 21.370 22.379 0.00 0.00 WT0 H +ATOM 1775 OH2 TIP3 1118 5.715 -1.340 6.549 0.00 0.00 WT0 O +ATOM 1776 H1 TIP3 1118 5.955 -1.500 7.469 0.00 0.00 WT0 H +ATOM 1777 H2 TIP3 1118 5.435 -2.190 6.219 0.00 0.00 WT0 H +ATOM 1778 OH2 TIP3 1120 -14.313 25.259 20.101 0.00 0.00 WT0 O +ATOM 1779 H1 TIP3 1120 -14.483 24.349 19.861 0.00 0.00 WT0 H +ATOM 1780 H2 TIP3 1120 -15.023 25.759 19.671 0.00 0.00 WT0 H +ATOM 1781 OH2 TIP3 1121 0.069 17.192 -2.020 0.00 0.00 WT0 O +ATOM 1782 H1 TIP3 1121 0.849 16.942 -2.520 0.00 0.00 WT0 H +ATOM 1783 H2 TIP3 1121 0.399 17.812 -1.360 0.00 0.00 WT0 H +ATOM 1784 OH2 TIP3 1122 -15.971 -0.240 24.747 0.00 0.00 WT0 O +ATOM 1785 H1 TIP3 1122 -15.161 -0.720 24.897 0.00 0.00 WT0 H +ATOM 1786 H2 TIP3 1122 -16.441 -0.750 24.087 0.00 0.00 WT0 H +ATOM 1787 OH2 TIP3 1123 -21.203 22.301 6.270 0.00 0.00 WT0 O +ATOM 1788 H1 TIP3 1123 -21.383 23.051 5.700 0.00 0.00 WT0 H +ATOM 1789 H2 TIP3 1123 -21.643 21.571 5.840 0.00 0.00 WT0 H +ATOM 1790 OH2 TIP3 1125 10.688 2.888 9.051 0.00 0.00 WT0 O +ATOM 1791 H1 TIP3 1125 10.768 3.828 9.201 0.00 0.00 WT0 H +ATOM 1792 H2 TIP3 1125 11.588 2.568 9.061 0.00 0.00 WT0 H +ATOM 1793 OH2 TIP3 1127 -21.469 -18.608 -11.337 0.00 0.00 WT0 O +ATOM 1794 H1 TIP3 1127 -22.379 -18.388 -11.187 0.00 0.00 WT0 H +ATOM 1795 H2 TIP3 1127 -21.459 -19.558 -11.427 0.00 0.00 WT0 H +ATOM 1796 OH2 TIP3 1128 -17.383 -9.533 -5.061 0.00 0.00 WT0 O +ATOM 1797 H1 TIP3 1128 -17.123 -8.813 -5.641 0.00 0.00 WT0 H +ATOM 1798 H2 TIP3 1128 -17.783 -10.173 -5.651 0.00 0.00 WT0 H +ATOM 1799 OH2 TIP3 1133 18.011 6.268 -22.005 0.00 0.00 WT0 O +ATOM 1800 H1 TIP3 1133 18.681 5.668 -22.315 0.00 0.00 WT0 H +ATOM 1801 H2 TIP3 1133 17.181 5.888 -22.305 0.00 0.00 WT0 H +ATOM 1802 OH2 TIP3 1134 -1.584 -23.871 19.750 0.00 0.00 WT0 O +ATOM 1803 H1 TIP3 1134 -2.224 -23.621 19.080 0.00 0.00 WT0 H +ATOM 1804 H2 TIP3 1134 -1.604 -24.821 19.760 0.00 0.00 WT0 H +ATOM 1805 OH2 TIP3 1135 -10.575 17.541 14.229 0.00 0.00 WT0 O +ATOM 1806 H1 TIP3 1135 -10.155 17.321 15.059 0.00 0.00 WT0 H +ATOM 1807 H2 TIP3 1135 -10.815 18.471 14.319 0.00 0.00 WT0 H +ATOM 1808 OH2 TIP3 1137 -12.600 6.524 -0.916 0.00 0.00 WT0 O +ATOM 1809 H1 TIP3 1137 -11.870 5.914 -0.866 0.00 0.00 WT0 H +ATOM 1810 H2 TIP3 1137 -12.450 7.134 -0.186 0.00 0.00 WT0 H +ATOM 1811 OH2 TIP3 1139 -8.511 -6.793 -20.393 0.00 0.00 WT0 O +ATOM 1812 H1 TIP3 1139 -8.121 -5.993 -20.053 0.00 0.00 WT0 H +ATOM 1813 H2 TIP3 1139 -8.991 -7.163 -19.653 0.00 0.00 WT0 H +ATOM 1814 OH2 TIP3 1140 10.131 7.155 1.913 0.00 0.00 WT0 O +ATOM 1815 H1 TIP3 1140 9.521 6.425 2.063 0.00 0.00 WT0 H +ATOM 1816 H2 TIP3 1140 9.571 7.915 1.753 0.00 0.00 WT0 H +ATOM 1817 OH2 TIP3 1142 5.845 16.144 23.525 0.00 0.00 WT0 O +ATOM 1818 H1 TIP3 1142 6.265 15.624 24.215 0.00 0.00 WT0 H +ATOM 1819 H2 TIP3 1142 5.095 15.624 23.265 0.00 0.00 WT0 H +ATOM 1820 OH2 TIP3 1143 -22.870 -4.272 24.321 0.00 0.00 WT0 O +ATOM 1821 H1 TIP3 1143 -22.930 -3.322 24.431 0.00 0.00 WT0 H +ATOM 1822 H2 TIP3 1143 -22.430 -4.572 25.111 0.00 0.00 WT0 H +ATOM 1823 OH2 TIP3 1144 4.418 8.530 -15.738 0.00 0.00 WT0 O +ATOM 1824 H1 TIP3 1144 5.158 8.670 -15.138 0.00 0.00 WT0 H +ATOM 1825 H2 TIP3 1144 4.178 9.410 -16.028 0.00 0.00 WT0 H +ATOM 1826 OH2 TIP3 1148 25.335 -0.811 11.565 0.00 0.00 WT0 O +ATOM 1827 H1 TIP3 1148 24.655 -0.851 12.245 0.00 0.00 WT0 H +ATOM 1828 H2 TIP3 1148 24.935 -1.231 10.805 0.00 0.00 WT0 H +ATOM 1829 OH2 TIP3 1150 7.498 -12.090 9.562 0.00 0.00 WT0 O +ATOM 1830 H1 TIP3 1150 8.218 -12.000 8.942 0.00 0.00 WT0 H +ATOM 1831 H2 TIP3 1150 7.298 -13.030 9.552 0.00 0.00 WT0 H +ATOM 1832 OH2 TIP3 1153 4.655 -15.413 6.009 0.00 0.00 WT0 O +ATOM 1833 H1 TIP3 1153 4.665 -16.303 5.659 0.00 0.00 WT0 H +ATOM 1834 H2 TIP3 1153 4.455 -14.863 5.249 0.00 0.00 WT0 H +ATOM 1835 OH2 TIP3 1158 7.359 0.011 21.943 0.00 0.00 WT0 O +ATOM 1836 H1 TIP3 1158 7.809 0.041 21.093 0.00 0.00 WT0 H +ATOM 1837 H2 TIP3 1158 7.419 -0.899 22.213 0.00 0.00 WT0 H +ATOM 1838 OH2 TIP3 1160 -19.629 -22.985 -14.104 0.00 0.00 WT0 O +ATOM 1839 H1 TIP3 1160 -20.299 -23.445 -13.594 0.00 0.00 WT0 H +ATOM 1840 H2 TIP3 1160 -20.099 -22.635 -14.854 0.00 0.00 WT0 H +ATOM 1841 OH2 TIP3 1163 -12.430 18.690 -21.052 0.00 0.00 WT0 O +ATOM 1842 H1 TIP3 1163 -11.470 18.660 -20.992 0.00 0.00 WT0 H +ATOM 1843 H2 TIP3 1163 -12.640 19.610 -21.162 0.00 0.00 WT0 H +ATOM 1844 OH2 TIP3 1166 -5.507 -17.873 14.641 0.00 0.00 WT0 O +ATOM 1845 H1 TIP3 1166 -5.257 -17.603 15.521 0.00 0.00 WT0 H +ATOM 1846 H2 TIP3 1166 -6.377 -17.503 14.501 0.00 0.00 WT0 H +ATOM 1847 OH2 TIP3 1167 7.966 5.528 1.852 0.00 0.00 WT0 O +ATOM 1848 H1 TIP3 1167 7.646 4.758 2.312 0.00 0.00 WT0 H +ATOM 1849 H2 TIP3 1167 7.216 6.128 1.852 0.00 0.00 WT0 H +ATOM 1850 OH2 TIP3 1168 -2.846 -0.621 -10.458 0.00 0.00 WT0 O +ATOM 1851 H1 TIP3 1168 -2.626 -1.501 -10.138 0.00 0.00 WT0 H +ATOM 1852 H2 TIP3 1168 -3.646 -0.741 -10.978 0.00 0.00 WT0 H +ATOM 1853 OH2 TIP3 1177 14.534 -4.576 8.522 0.00 0.00 WT0 O +ATOM 1854 H1 TIP3 1177 15.044 -4.646 9.322 0.00 0.00 WT0 H +ATOM 1855 H2 TIP3 1177 14.814 -3.736 8.132 0.00 0.00 WT0 H +ATOM 1856 OH2 TIP3 1178 15.055 6.371 -6.041 0.00 0.00 WT0 O +ATOM 1857 H1 TIP3 1178 15.295 5.511 -6.381 0.00 0.00 WT0 H +ATOM 1858 H2 TIP3 1178 15.065 6.941 -6.811 0.00 0.00 WT0 H +ATOM 1859 OH2 TIP3 1179 4.561 -16.927 -20.903 0.00 0.00 WT0 O +ATOM 1860 H1 TIP3 1179 3.711 -16.627 -21.203 0.00 0.00 WT0 H +ATOM 1861 H2 TIP3 1179 4.761 -17.687 -21.453 0.00 0.00 WT0 H +ATOM 1862 OH2 TIP3 1180 6.387 -8.744 7.802 0.00 0.00 WT0 O +ATOM 1863 H1 TIP3 1180 7.087 -8.584 7.162 0.00 0.00 WT0 H +ATOM 1864 H2 TIP3 1180 5.847 -7.954 7.772 0.00 0.00 WT0 H +ATOM 1865 OH2 TIP3 1181 -22.402 -4.719 -20.801 0.00 0.00 WT0 O +ATOM 1866 H1 TIP3 1181 -22.792 -4.839 -19.931 0.00 0.00 WT0 H +ATOM 1867 H2 TIP3 1181 -21.562 -5.179 -20.741 0.00 0.00 WT0 H +ATOM 1868 OH2 TIP3 1182 18.078 -24.286 -15.398 0.00 0.00 WT0 O +ATOM 1869 H1 TIP3 1182 17.918 -24.646 -14.528 0.00 0.00 WT0 H +ATOM 1870 H2 TIP3 1182 18.108 -25.046 -15.978 0.00 0.00 WT0 H +ATOM 1871 OH2 TIP3 1183 16.245 10.115 20.442 0.00 0.00 WT0 O +ATOM 1872 H1 TIP3 1183 17.165 10.035 20.202 0.00 0.00 WT0 H +ATOM 1873 H2 TIP3 1183 15.785 10.225 19.602 0.00 0.00 WT0 H +ATOM 1874 OH2 TIP3 1186 -12.002 23.465 -8.988 0.00 0.00 WT0 O +ATOM 1875 H1 TIP3 1186 -11.452 23.375 -8.208 0.00 0.00 WT0 H +ATOM 1876 H2 TIP3 1186 -11.442 23.935 -9.618 0.00 0.00 WT0 H +ATOM 1877 OH2 TIP3 1188 3.899 -22.465 -4.200 0.00 0.00 WT0 O +ATOM 1878 H1 TIP3 1188 3.199 -22.585 -3.560 0.00 0.00 WT0 H +ATOM 1879 H2 TIP3 1188 3.859 -21.535 -4.430 0.00 0.00 WT0 H +ATOM 1880 OH2 TIP3 1192 6.520 -16.218 -4.140 0.00 0.00 WT0 O +ATOM 1881 H1 TIP3 1192 7.310 -15.918 -3.700 0.00 0.00 WT0 H +ATOM 1882 H2 TIP3 1192 6.550 -15.798 -5.000 0.00 0.00 WT0 H +ATOM 1883 OH2 TIP3 1193 -15.906 -24.888 2.281 0.00 0.00 WT0 O +ATOM 1884 H1 TIP3 1193 -15.386 -25.208 3.021 0.00 0.00 WT0 H +ATOM 1885 H2 TIP3 1193 -15.516 -24.038 2.061 0.00 0.00 WT0 H +ATOM 1886 OH2 TIP3 1194 -8.977 -7.970 -12.395 0.00 0.00 WT0 O +ATOM 1887 H1 TIP3 1194 -8.657 -8.290 -11.545 0.00 0.00 WT0 H +ATOM 1888 H2 TIP3 1194 -9.817 -7.560 -12.185 0.00 0.00 WT0 H +ATOM 1889 OH2 TIP3 1195 12.741 2.015 -15.227 0.00 0.00 WT0 O +ATOM 1890 H1 TIP3 1195 12.251 2.785 -15.527 0.00 0.00 WT0 H +ATOM 1891 H2 TIP3 1195 13.301 1.785 -15.957 0.00 0.00 WT0 H +ATOM 1892 OH2 TIP3 1197 16.030 15.027 -11.891 0.00 0.00 WT0 O +ATOM 1893 H1 TIP3 1197 15.130 15.317 -12.061 0.00 0.00 WT0 H +ATOM 1894 H2 TIP3 1197 15.930 14.197 -11.421 0.00 0.00 WT0 H +ATOM 1895 OH2 TIP3 1200 12.378 -15.900 -16.854 0.00 0.00 WT0 O +ATOM 1896 H1 TIP3 1200 12.688 -16.530 -16.204 0.00 0.00 WT0 H +ATOM 1897 H2 TIP3 1200 11.638 -15.460 -16.424 0.00 0.00 WT0 H +ATOM 1898 OH2 TIP3 1201 18.689 2.960 -8.685 0.00 0.00 WT0 O +ATOM 1899 H1 TIP3 1201 19.039 3.710 -9.155 0.00 0.00 WT0 H +ATOM 1900 H2 TIP3 1201 19.349 2.280 -8.785 0.00 0.00 WT0 H +ATOM 1901 OH2 TIP3 1202 0.515 21.950 7.010 0.00 0.00 WT0 O +ATOM 1902 H1 TIP3 1202 0.365 22.570 7.720 0.00 0.00 WT0 H +ATOM 1903 H2 TIP3 1202 0.465 22.480 6.210 0.00 0.00 WT0 H +ATOM 1904 OH2 TIP3 1204 -14.712 -13.349 -22.782 0.00 0.00 WT0 O +ATOM 1905 H1 TIP3 1204 -14.142 -12.879 -22.182 0.00 0.00 WT0 H +ATOM 1906 H2 TIP3 1204 -15.142 -14.019 -22.242 0.00 0.00 WT0 H +ATOM 1907 OH2 TIP3 1206 7.944 17.765 3.052 0.00 0.00 WT0 O +ATOM 1908 H1 TIP3 1206 7.114 17.295 2.962 0.00 0.00 WT0 H +ATOM 1909 H2 TIP3 1206 7.814 18.325 3.812 0.00 0.00 WT0 H +ATOM 1910 OH2 TIP3 1208 22.383 -22.827 11.772 0.00 0.00 WT0 O +ATOM 1911 H1 TIP3 1208 22.033 -22.537 12.612 0.00 0.00 WT0 H +ATOM 1912 H2 TIP3 1208 22.413 -23.777 11.842 0.00 0.00 WT0 H +ATOM 1913 OH2 TIP3 1209 13.313 -6.157 23.337 0.00 0.00 WT0 O +ATOM 1914 H1 TIP3 1209 13.543 -6.847 23.967 0.00 0.00 WT0 H +ATOM 1915 H2 TIP3 1209 13.673 -5.357 23.717 0.00 0.00 WT0 H +ATOM 1916 OH2 TIP3 1210 24.181 10.728 11.092 0.00 0.00 WT0 O +ATOM 1917 H1 TIP3 1210 25.061 10.978 10.802 0.00 0.00 WT0 H +ATOM 1918 H2 TIP3 1210 23.691 10.618 10.272 0.00 0.00 WT0 H +ATOM 1919 OH2 TIP3 1211 -21.157 -13.617 -2.178 0.00 0.00 WT0 O +ATOM 1920 H1 TIP3 1211 -20.527 -12.937 -1.938 0.00 0.00 WT0 H +ATOM 1921 H2 TIP3 1211 -21.037 -13.727 -3.118 0.00 0.00 WT0 H +ATOM 1922 OH2 TIP3 1212 -14.573 -22.122 -16.973 0.00 0.00 WT0 O +ATOM 1923 H1 TIP3 1212 -13.883 -22.672 -16.593 0.00 0.00 WT0 H +ATOM 1924 H2 TIP3 1212 -14.953 -22.652 -17.673 0.00 0.00 WT0 H +ATOM 1925 OH2 TIP3 1214 15.188 -12.635 13.135 0.00 0.00 WT0 O +ATOM 1926 H1 TIP3 1214 15.948 -12.065 13.095 0.00 0.00 WT0 H +ATOM 1927 H2 TIP3 1214 14.438 -12.045 13.165 0.00 0.00 WT0 H +ATOM 1928 OH2 TIP3 1215 -5.989 23.005 -8.406 0.00 0.00 WT0 O +ATOM 1929 H1 TIP3 1215 -6.409 22.275 -8.856 0.00 0.00 WT0 H +ATOM 1930 H2 TIP3 1215 -5.049 22.885 -8.586 0.00 0.00 WT0 H +ATOM 1931 OH2 TIP3 1217 -21.487 24.798 -22.837 0.00 0.00 WT0 O +ATOM 1932 H1 TIP3 1217 -21.637 25.008 -21.917 0.00 0.00 WT0 H +ATOM 1933 H2 TIP3 1217 -22.277 24.338 -23.117 0.00 0.00 WT0 H +ATOM 1934 OH2 TIP3 1222 15.533 1.265 15.715 0.00 0.00 WT0 O +ATOM 1935 H1 TIP3 1222 16.123 0.835 15.095 0.00 0.00 WT0 H +ATOM 1936 H2 TIP3 1222 15.933 2.115 15.875 0.00 0.00 WT0 H +ATOM 1937 OH2 TIP3 1223 13.811 23.138 7.099 0.00 0.00 WT0 O +ATOM 1938 H1 TIP3 1223 13.561 23.958 7.519 0.00 0.00 WT0 H +ATOM 1939 H2 TIP3 1223 13.521 22.458 7.699 0.00 0.00 WT0 H +ATOM 1940 OH2 TIP3 1224 -8.452 -5.611 24.052 0.00 0.00 WT0 O +ATOM 1941 H1 TIP3 1224 -8.932 -6.341 23.642 0.00 0.00 WT0 H +ATOM 1942 H2 TIP3 1224 -8.862 -5.511 24.912 0.00 0.00 WT0 H +ATOM 1943 OH2 TIP3 1230 -7.416 19.723 24.169 0.00 0.00 WT0 O +ATOM 1944 H1 TIP3 1230 -6.786 19.113 24.569 0.00 0.00 WT0 H +ATOM 1945 H2 TIP3 1230 -7.816 19.223 23.459 0.00 0.00 WT0 H +ATOM 1946 OH2 TIP3 1232 10.640 17.770 -17.650 0.00 0.00 WT0 O +ATOM 1947 H1 TIP3 1232 10.920 17.690 -18.560 0.00 0.00 WT0 H +ATOM 1948 H2 TIP3 1232 10.920 18.650 -17.380 0.00 0.00 WT0 H +ATOM 1949 OH2 TIP3 1234 1.936 16.539 -11.378 0.00 0.00 WT0 O +ATOM 1950 H1 TIP3 1234 2.196 17.459 -11.328 0.00 0.00 WT0 H +ATOM 1951 H2 TIP3 1234 2.236 16.259 -12.248 0.00 0.00 WT0 H +ATOM 1952 OH2 TIP3 1248 -24.592 -3.155 -13.255 0.00 0.00 WT0 O +ATOM 1953 H1 TIP3 1248 -24.012 -3.615 -13.865 0.00 0.00 WT0 H +ATOM 1954 H2 TIP3 1248 -25.462 -3.515 -13.425 0.00 0.00 WT0 H +ATOM 1955 OH2 TIP3 1263 -23.746 17.943 -16.105 0.00 0.00 WT0 O +ATOM 1956 H1 TIP3 1263 -24.016 18.743 -16.555 0.00 0.00 WT0 H +ATOM 1957 H2 TIP3 1263 -22.826 18.093 -15.885 0.00 0.00 WT0 H +ATOM 1958 OH2 TIP3 1267 13.945 19.918 -7.380 0.00 0.00 WT0 O +ATOM 1959 H1 TIP3 1267 14.495 19.128 -7.350 0.00 0.00 WT0 H +ATOM 1960 H2 TIP3 1267 13.685 20.068 -6.470 0.00 0.00 WT0 H +ATOM 1961 OH2 TIP3 1271 14.148 6.588 -24.321 0.00 0.00 WT0 O +ATOM 1962 H1 TIP3 1271 13.608 6.458 -23.541 0.00 0.00 WT0 H +ATOM 1963 H2 TIP3 1271 13.678 6.128 -25.021 0.00 0.00 WT0 H +ATOM 1964 OH2 TIP3 1272 -17.561 25.043 -4.942 0.00 0.00 WT0 O +ATOM 1965 H1 TIP3 1272 -18.431 25.433 -4.902 0.00 0.00 WT0 H +ATOM 1966 H2 TIP3 1272 -17.481 24.543 -4.122 0.00 0.00 WT0 H +ATOM 1967 OH2 TIP3 1274 -19.060 2.025 -6.017 0.00 0.00 WT0 O +ATOM 1968 H1 TIP3 1274 -19.540 1.355 -6.497 0.00 0.00 WT0 H +ATOM 1969 H2 TIP3 1274 -19.290 2.845 -6.457 0.00 0.00 WT0 H +ATOM 1970 OH2 TIP3 1278 -10.579 -22.528 0.887 0.00 0.00 WT0 O +ATOM 1971 H1 TIP3 1278 -11.289 -21.908 1.037 0.00 0.00 WT0 H +ATOM 1972 H2 TIP3 1278 -9.919 -22.298 1.537 0.00 0.00 WT0 H +ATOM 1973 OH2 TIP3 1287 14.165 -20.645 -22.030 0.00 0.00 WT0 O +ATOM 1974 H1 TIP3 1287 13.575 -19.895 -22.110 0.00 0.00 WT0 H +ATOM 1975 H2 TIP3 1287 13.665 -21.385 -22.370 0.00 0.00 WT0 H +ATOM 1976 OH2 TIP3 1297 5.659 15.691 -22.995 0.00 0.00 WT0 O +ATOM 1977 H1 TIP3 1297 5.289 16.521 -22.685 0.00 0.00 WT0 H +ATOM 1978 H2 TIP3 1297 6.599 15.801 -22.895 0.00 0.00 WT0 H +ATOM 1979 OH2 TIP3 1298 -12.960 -5.091 9.716 0.00 0.00 WT0 O +ATOM 1980 H1 TIP3 1298 -12.900 -5.951 9.296 0.00 0.00 WT0 H +ATOM 1981 H2 TIP3 1298 -12.190 -4.621 9.396 0.00 0.00 WT0 H +ATOM 1982 OH2 TIP3 1301 4.753 -2.438 12.135 0.00 0.00 WT0 O +ATOM 1983 H1 TIP3 1301 3.973 -1.968 11.845 0.00 0.00 WT0 H +ATOM 1984 H2 TIP3 1301 5.413 -1.748 12.255 0.00 0.00 WT0 H +ATOM 1985 OH2 TIP3 1307 12.229 23.372 12.609 0.00 0.00 WT0 O +ATOM 1986 H1 TIP3 1307 12.489 22.662 12.019 0.00 0.00 WT0 H +ATOM 1987 H2 TIP3 1307 12.909 23.402 13.279 0.00 0.00 WT0 H +ATOM 1988 OH2 TIP3 1308 -4.537 14.500 24.233 0.00 0.00 WT0 O +ATOM 1989 H1 TIP3 1308 -3.887 15.200 24.303 0.00 0.00 WT0 H +ATOM 1990 H2 TIP3 1308 -5.127 14.640 24.963 0.00 0.00 WT0 H +ATOM 1991 OH2 TIP3 1309 5.549 0.259 9.303 0.00 0.00 WT0 O +ATOM 1992 H1 TIP3 1309 4.869 0.859 9.623 0.00 0.00 WT0 H +ATOM 1993 H2 TIP3 1309 5.479 0.309 8.353 0.00 0.00 WT0 H +ATOM 1994 OH2 TIP3 1311 7.383 13.268 17.761 0.00 0.00 WT0 O +ATOM 1995 H1 TIP3 1311 7.723 14.158 17.771 0.00 0.00 WT0 H +ATOM 1996 H2 TIP3 1311 8.133 12.718 17.541 0.00 0.00 WT0 H +ATOM 1997 OH2 TIP3 1313 24.560 -21.783 -17.673 0.00 0.00 WT0 O +ATOM 1998 H1 TIP3 1313 24.850 -21.063 -18.233 0.00 0.00 WT0 H +ATOM 1999 H2 TIP3 1313 24.920 -22.563 -18.093 0.00 0.00 WT0 H +ATOM 2000 OH2 TIP3 1317 -17.553 -6.393 -8.510 0.00 0.00 WT0 O +ATOM 2001 H1 TIP3 1317 -18.153 -5.683 -8.720 0.00 0.00 WT0 H +ATOM 2002 H2 TIP3 1317 -17.943 -6.823 -7.750 0.00 0.00 WT0 H +ATOM 2003 OH2 TIP3 1326 -18.761 10.180 -22.255 0.00 0.00 WT0 O +ATOM 2004 H1 TIP3 1326 -19.091 11.000 -21.875 0.00 0.00 WT0 H +ATOM 2005 H2 TIP3 1326 -17.941 10.430 -22.685 0.00 0.00 WT0 H +ATOM 2006 OH2 TIP3 1327 -18.075 0.421 -8.899 0.00 0.00 WT0 O +ATOM 2007 H1 TIP3 1327 -17.485 0.291 -8.149 0.00 0.00 WT0 H +ATOM 2008 H2 TIP3 1327 -18.605 -0.379 -8.919 0.00 0.00 WT0 H +ATOM 2009 OH2 TIP3 1328 14.950 5.585 -13.054 0.00 0.00 WT0 O +ATOM 2010 H1 TIP3 1328 14.300 5.005 -12.664 0.00 0.00 WT0 H +ATOM 2011 H2 TIP3 1328 15.460 5.015 -13.634 0.00 0.00 WT0 H +ATOM 2012 OH2 TIP3 1329 -8.801 -13.430 6.729 0.00 0.00 WT0 O +ATOM 2013 H1 TIP3 1329 -8.861 -13.080 7.619 0.00 0.00 WT0 H +ATOM 2014 H2 TIP3 1329 -8.741 -12.660 6.169 0.00 0.00 WT0 H +ATOM 2015 OH2 TIP3 1330 -2.511 -17.110 16.243 0.00 0.00 WT0 O +ATOM 2016 H1 TIP3 1330 -1.701 -17.420 15.823 0.00 0.00 WT0 H +ATOM 2017 H2 TIP3 1330 -2.871 -17.900 16.663 0.00 0.00 WT0 H +ATOM 2018 OH2 TIP3 1332 -24.665 -22.911 7.695 0.00 0.00 WT0 O +ATOM 2019 H1 TIP3 1332 -24.745 -22.791 6.745 0.00 0.00 WT0 H +ATOM 2020 H2 TIP3 1332 -24.615 -23.861 7.815 0.00 0.00 WT0 H +ATOM 2021 OH2 TIP3 1333 23.354 18.645 -19.315 0.00 0.00 WT0 O +ATOM 2022 H1 TIP3 1333 22.884 18.785 -18.485 0.00 0.00 WT0 H +ATOM 2023 H2 TIP3 1333 23.964 17.935 -19.115 0.00 0.00 WT0 H +ATOM 2024 OH2 TIP3 1334 -8.804 19.581 12.522 0.00 0.00 WT0 O +ATOM 2025 H1 TIP3 1334 -9.504 18.991 12.232 0.00 0.00 WT0 H +ATOM 2026 H2 TIP3 1334 -9.234 20.421 12.662 0.00 0.00 WT0 H +ATOM 2027 OH2 TIP3 1337 -2.014 2.060 15.295 0.00 0.00 WT0 O +ATOM 2028 H1 TIP3 1337 -2.144 1.150 15.055 0.00 0.00 WT0 H +ATOM 2029 H2 TIP3 1337 -1.224 2.060 15.835 0.00 0.00 WT0 H +ATOM 2030 OH2 TIP3 1344 22.638 21.143 19.142 0.00 0.00 WT0 O +ATOM 2031 H1 TIP3 1344 23.588 21.113 18.992 0.00 0.00 WT0 H +ATOM 2032 H2 TIP3 1344 22.418 22.073 19.062 0.00 0.00 WT0 H +ATOM 2033 OH2 TIP3 1346 -15.379 -1.177 -15.839 0.00 0.00 WT0 O +ATOM 2034 H1 TIP3 1346 -15.809 -1.967 -16.169 0.00 0.00 WT0 H +ATOM 2035 H2 TIP3 1346 -14.519 -1.187 -16.259 0.00 0.00 WT0 H +ATOM 2036 OH2 TIP3 1347 -5.936 -3.377 24.429 0.00 0.00 WT0 O +ATOM 2037 H1 TIP3 1347 -5.096 -3.827 24.269 0.00 0.00 WT0 H +ATOM 2038 H2 TIP3 1347 -6.586 -3.937 23.989 0.00 0.00 WT0 H +ATOM 2039 OH2 TIP3 1349 -18.954 -1.448 -21.066 0.00 0.00 WT0 O +ATOM 2040 H1 TIP3 1349 -18.734 -2.208 -20.516 0.00 0.00 WT0 H +ATOM 2041 H2 TIP3 1349 -18.184 -1.308 -21.616 0.00 0.00 WT0 H +ATOM 2042 OH2 TIP3 1352 -11.377 -7.350 9.995 0.00 0.00 WT0 O +ATOM 2043 H1 TIP3 1352 -11.187 -6.860 10.795 0.00 0.00 WT0 H +ATOM 2044 H2 TIP3 1352 -10.777 -8.100 10.025 0.00 0.00 WT0 H +ATOM 2045 OH2 TIP3 1354 -23.877 6.023 0.754 0.00 0.00 WT0 O +ATOM 2046 H1 TIP3 1354 -23.047 5.653 0.444 0.00 0.00 WT0 H +ATOM 2047 H2 TIP3 1354 -23.657 6.913 1.024 0.00 0.00 WT0 H +ATOM 2048 OH2 TIP3 1355 -19.189 -14.744 1.162 0.00 0.00 WT0 O +ATOM 2049 H1 TIP3 1355 -19.769 -15.444 0.852 0.00 0.00 WT0 H +ATOM 2050 H2 TIP3 1355 -19.469 -14.574 2.062 0.00 0.00 WT0 H +ATOM 2051 OH2 TIP3 1356 -2.117 19.398 -3.524 0.00 0.00 WT0 O +ATOM 2052 H1 TIP3 1356 -2.587 19.008 -2.784 0.00 0.00 WT0 H +ATOM 2053 H2 TIP3 1356 -1.437 19.948 -3.114 0.00 0.00 WT0 H +ATOM 2054 OH2 TIP3 1357 19.186 -15.201 7.549 0.00 0.00 WT0 O +ATOM 2055 H1 TIP3 1357 19.906 -14.591 7.409 0.00 0.00 WT0 H +ATOM 2056 H2 TIP3 1357 19.596 -16.061 7.529 0.00 0.00 WT0 H +ATOM 2057 OH2 TIP3 1367 0.385 24.852 -22.214 0.00 0.00 WT0 O +ATOM 2058 H1 TIP3 1367 0.465 23.952 -21.874 0.00 0.00 WT0 H +ATOM 2059 H2 TIP3 1367 1.045 25.342 -21.734 0.00 0.00 WT0 H +ATOM 2060 OH2 TIP3 1368 2.334 -15.286 2.011 0.00 0.00 WT0 O +ATOM 2061 H1 TIP3 1368 1.974 -16.116 1.681 0.00 0.00 WT0 H +ATOM 2062 H2 TIP3 1368 1.934 -15.186 2.871 0.00 0.00 WT0 H +ATOM 2063 OH2 TIP3 1370 -2.974 -2.153 5.809 0.00 0.00 WT0 O +ATOM 2064 H1 TIP3 1370 -2.224 -2.753 5.799 0.00 0.00 WT0 H +ATOM 2065 H2 TIP3 1370 -3.274 -2.133 4.909 0.00 0.00 WT0 H +ATOM 2066 OH2 TIP3 1371 -24.955 -19.568 22.218 0.00 0.00 WT0 O +ATOM 2067 H1 TIP3 1371 -25.565 -20.218 22.568 0.00 0.00 WT0 H +ATOM 2068 H2 TIP3 1371 -24.195 -19.608 22.798 0.00 0.00 WT0 H +ATOM 2069 OH2 TIP3 1372 18.704 25.145 22.661 0.00 0.00 WT0 O +ATOM 2070 H1 TIP3 1372 18.794 24.225 22.391 0.00 0.00 WT0 H +ATOM 2071 H2 TIP3 1372 17.964 25.135 23.281 0.00 0.00 WT0 H +ATOM 2072 OH2 TIP3 1374 23.608 19.633 -12.245 0.00 0.00 WT0 O +ATOM 2073 H1 TIP3 1374 24.558 19.593 -12.185 0.00 0.00 WT0 H +ATOM 2074 H2 TIP3 1374 23.418 20.573 -12.315 0.00 0.00 WT0 H +ATOM 2075 OH2 TIP3 1376 9.665 18.030 22.304 0.00 0.00 WT0 O +ATOM 2076 H1 TIP3 1376 8.705 18.080 22.234 0.00 0.00 WT0 H +ATOM 2077 H2 TIP3 1376 9.935 17.580 21.504 0.00 0.00 WT0 H +ATOM 2078 OH2 TIP3 1379 8.908 -7.517 -23.638 0.00 0.00 WT0 O +ATOM 2079 H1 TIP3 1379 9.398 -7.497 -24.458 0.00 0.00 WT0 H +ATOM 2080 H2 TIP3 1379 9.538 -7.217 -22.978 0.00 0.00 WT0 H +ATOM 2081 OH2 TIP3 1380 23.056 19.972 15.362 0.00 0.00 WT0 O +ATOM 2082 H1 TIP3 1380 23.956 20.022 15.062 0.00 0.00 WT0 H +ATOM 2083 H2 TIP3 1380 23.076 19.342 16.082 0.00 0.00 WT0 H +ATOM 2084 OH2 TIP3 1387 12.345 20.340 -4.567 0.00 0.00 WT0 O +ATOM 2085 H1 TIP3 1387 12.375 19.610 -5.187 0.00 0.00 WT0 H +ATOM 2086 H2 TIP3 1387 13.035 20.150 -3.927 0.00 0.00 WT0 H +ATOM 2087 OH2 TIP3 1388 -18.195 14.804 11.769 0.00 0.00 WT0 O +ATOM 2088 H1 TIP3 1388 -17.955 14.104 12.379 0.00 0.00 WT0 H +ATOM 2089 H2 TIP3 1388 -19.155 14.834 11.809 0.00 0.00 WT0 H +ATOM 2090 OH2 TIP3 1389 10.108 20.075 -23.594 0.00 0.00 WT0 O +ATOM 2091 H1 TIP3 1389 10.608 20.865 -23.804 0.00 0.00 WT0 H +ATOM 2092 H2 TIP3 1389 9.328 20.125 -24.134 0.00 0.00 WT0 H +ATOM 2093 OH2 TIP3 1392 -24.093 -20.782 -19.290 0.00 0.00 WT0 O +ATOM 2094 H1 TIP3 1392 -23.613 -20.502 -18.520 0.00 0.00 WT0 H +ATOM 2095 H2 TIP3 1392 -23.983 -21.732 -19.320 0.00 0.00 WT0 H +ATOM 2096 OH2 TIP3 1394 19.498 -11.527 22.387 0.00 0.00 WT0 O +ATOM 2097 H1 TIP3 1394 19.658 -12.397 22.757 0.00 0.00 WT0 H +ATOM 2098 H2 TIP3 1394 19.198 -10.997 23.117 0.00 0.00 WT0 H +ATOM 2099 OH2 TIP3 1395 8.063 -23.946 18.451 0.00 0.00 WT0 O +ATOM 2100 H1 TIP3 1395 8.083 -23.106 18.911 0.00 0.00 WT0 H +ATOM 2101 H2 TIP3 1395 8.893 -24.366 18.681 0.00 0.00 WT0 H +ATOM 2102 OH2 TIP3 1396 -6.660 -13.592 15.689 0.00 0.00 WT0 O +ATOM 2103 H1 TIP3 1396 -6.020 -13.292 15.049 0.00 0.00 WT0 H +ATOM 2104 H2 TIP3 1396 -7.400 -13.002 15.599 0.00 0.00 WT0 H +ATOM 2105 OH2 TIP3 1398 -16.009 21.151 -10.235 0.00 0.00 WT0 O +ATOM 2106 H1 TIP3 1398 -16.889 20.821 -10.035 0.00 0.00 WT0 H +ATOM 2107 H2 TIP3 1398 -15.649 21.391 -9.375 0.00 0.00 WT0 H +ATOM 2108 OH2 TIP3 1400 -10.291 13.197 12.961 0.00 0.00 WT0 O +ATOM 2109 H1 TIP3 1400 -9.531 13.467 13.461 0.00 0.00 WT0 H +ATOM 2110 H2 TIP3 1400 -10.661 14.017 12.621 0.00 0.00 WT0 H +ATOM 2111 OH2 TIP3 1401 -12.141 20.220 14.331 0.00 0.00 WT0 O +ATOM 2112 H1 TIP3 1401 -12.121 20.220 15.291 0.00 0.00 WT0 H +ATOM 2113 H2 TIP3 1401 -13.071 20.270 14.111 0.00 0.00 WT0 H +ATOM 2114 OH2 TIP3 1404 -17.665 20.355 -3.126 0.00 0.00 WT0 O +ATOM 2115 H1 TIP3 1404 -17.625 20.235 -4.076 0.00 0.00 WT0 H +ATOM 2116 H2 TIP3 1404 -16.825 20.765 -2.906 0.00 0.00 WT0 H +ATOM 2117 OH2 TIP3 1407 -6.543 -4.560 -20.546 0.00 0.00 WT0 O +ATOM 2118 H1 TIP3 1407 -5.603 -4.350 -20.496 0.00 0.00 WT0 H +ATOM 2119 H2 TIP3 1407 -6.933 -4.040 -19.846 0.00 0.00 WT0 H +ATOM 2120 OH2 TIP3 1408 24.895 1.508 -22.063 0.00 0.00 WT0 O +ATOM 2121 H1 TIP3 1408 25.405 2.298 -21.883 0.00 0.00 WT0 H +ATOM 2122 H2 TIP3 1408 24.095 1.628 -21.563 0.00 0.00 WT0 H +ATOM 2123 OH2 TIP3 1411 -12.094 -20.138 1.559 0.00 0.00 WT0 O +ATOM 2124 H1 TIP3 1411 -13.024 -20.058 1.389 0.00 0.00 WT0 H +ATOM 2125 H2 TIP3 1411 -11.974 -19.768 2.439 0.00 0.00 WT0 H +ATOM 2126 OH2 TIP3 1412 2.723 24.148 -7.595 0.00 0.00 WT0 O +ATOM 2127 H1 TIP3 1412 2.743 25.068 -7.325 0.00 0.00 WT0 H +ATOM 2128 H2 TIP3 1412 1.803 23.968 -7.765 0.00 0.00 WT0 H +ATOM 2129 OH2 TIP3 1413 -2.706 4.373 -17.078 0.00 0.00 WT0 O +ATOM 2130 H1 TIP3 1413 -2.846 3.423 -17.088 0.00 0.00 WT0 H +ATOM 2131 H2 TIP3 1413 -1.976 4.513 -17.678 0.00 0.00 WT0 H +ATOM 2132 OH2 TIP3 1414 21.398 11.857 -19.763 0.00 0.00 WT0 O +ATOM 2133 H1 TIP3 1414 21.018 12.267 -18.983 0.00 0.00 WT0 H +ATOM 2134 H2 TIP3 1414 21.048 10.967 -19.773 0.00 0.00 WT0 H +ATOM 2135 OH2 TIP3 1415 -23.921 15.449 -10.027 0.00 0.00 WT0 O +ATOM 2136 H1 TIP3 1415 -24.671 15.549 -9.437 0.00 0.00 WT0 H +ATOM 2137 H2 TIP3 1415 -23.191 15.849 -9.547 0.00 0.00 WT0 H +ATOM 2138 OH2 TIP3 1416 -15.961 14.435 -18.878 0.00 0.00 WT0 O +ATOM 2139 H1 TIP3 1416 -15.021 14.285 -18.948 0.00 0.00 WT0 H +ATOM 2140 H2 TIP3 1416 -16.311 13.605 -18.548 0.00 0.00 WT0 H +ATOM 2141 OH2 TIP3 1417 -0.957 -5.425 -12.790 0.00 0.00 WT0 O +ATOM 2142 H1 TIP3 1417 -0.687 -4.605 -13.200 0.00 0.00 WT0 H +ATOM 2143 H2 TIP3 1417 -0.287 -6.065 -13.050 0.00 0.00 WT0 H +ATOM 2144 OH2 TIP3 1418 -6.169 -14.933 -24.353 0.00 0.00 WT0 O +ATOM 2145 H1 TIP3 1418 -6.649 -14.193 -24.723 0.00 0.00 WT0 H +ATOM 2146 H2 TIP3 1418 -5.529 -15.163 -25.023 0.00 0.00 WT0 H +ATOM 2147 OH2 TIP3 1419 -23.725 -11.110 3.135 0.00 0.00 WT0 O +ATOM 2148 H1 TIP3 1419 -23.525 -11.610 2.345 0.00 0.00 WT0 H +ATOM 2149 H2 TIP3 1419 -24.095 -11.740 3.745 0.00 0.00 WT0 H +ATOM 2150 OH2 TIP3 1421 -0.496 15.564 -11.919 0.00 0.00 WT0 O +ATOM 2151 H1 TIP3 1421 -1.346 15.544 -11.479 0.00 0.00 WT0 H +ATOM 2152 H2 TIP3 1421 0.054 16.114 -11.359 0.00 0.00 WT0 H +ATOM 2153 OH2 TIP3 1424 4.589 7.107 -20.613 0.00 0.00 WT0 O +ATOM 2154 H1 TIP3 1424 3.989 7.787 -20.303 0.00 0.00 WT0 H +ATOM 2155 H2 TIP3 1424 5.329 7.597 -20.973 0.00 0.00 WT0 H +ATOM 2156 OH2 TIP3 1428 6.446 -1.928 -19.948 0.00 0.00 WT0 O +ATOM 2157 H1 TIP3 1428 7.166 -1.318 -20.088 0.00 0.00 WT0 H +ATOM 2158 H2 TIP3 1428 6.616 -2.318 -19.078 0.00 0.00 WT0 H +ATOM 2159 OH2 TIP3 1429 8.754 -8.544 17.112 0.00 0.00 WT0 O +ATOM 2160 H1 TIP3 1429 8.044 -8.394 16.482 0.00 0.00 WT0 H +ATOM 2161 H2 TIP3 1429 8.924 -9.484 17.072 0.00 0.00 WT0 H +ATOM 2162 OH2 TIP3 1430 -15.716 5.135 19.031 0.00 0.00 WT0 O +ATOM 2163 H1 TIP3 1430 -15.416 5.535 18.221 0.00 0.00 WT0 H +ATOM 2164 H2 TIP3 1430 -15.846 5.875 19.631 0.00 0.00 WT0 H +ATOM 2165 OH2 TIP3 1431 5.330 -24.875 13.139 0.00 0.00 WT0 O +ATOM 2166 H1 TIP3 1431 5.790 -25.095 13.949 0.00 0.00 WT0 H +ATOM 2167 H2 TIP3 1431 5.130 -25.725 12.749 0.00 0.00 WT0 H +ATOM 2168 OH2 TIP3 1433 4.566 5.377 -7.720 0.00 0.00 WT0 O +ATOM 2169 H1 TIP3 1433 4.346 4.497 -7.400 0.00 0.00 WT0 H +ATOM 2170 H2 TIP3 1433 3.826 5.617 -8.270 0.00 0.00 WT0 H +ATOM 2171 OH2 TIP3 1435 -7.721 -4.209 20.689 0.00 0.00 WT0 O +ATOM 2172 H1 TIP3 1435 -8.671 -4.149 20.599 0.00 0.00 WT0 H +ATOM 2173 H2 TIP3 1435 -7.571 -4.179 21.639 0.00 0.00 WT0 H +ATOM 2174 OH2 TIP3 1436 19.799 -18.077 5.892 0.00 0.00 WT0 O +ATOM 2175 H1 TIP3 1436 19.599 -18.967 6.182 0.00 0.00 WT0 H +ATOM 2176 H2 TIP3 1436 19.039 -17.827 5.372 0.00 0.00 WT0 H +ATOM 2177 OH2 TIP3 1437 23.875 4.000 -12.908 0.00 0.00 WT0 O +ATOM 2178 H1 TIP3 1437 23.785 4.880 -12.558 0.00 0.00 WT0 H +ATOM 2179 H2 TIP3 1437 23.995 3.440 -12.138 0.00 0.00 WT0 H +ATOM 2180 OH2 TIP3 1439 17.485 -3.256 3.788 0.00 0.00 WT0 O +ATOM 2181 H1 TIP3 1439 16.885 -2.536 3.598 0.00 0.00 WT0 H +ATOM 2182 H2 TIP3 1439 17.035 -3.766 4.458 0.00 0.00 WT0 H +ATOM 2183 OH2 TIP3 1440 15.634 5.609 17.103 0.00 0.00 WT0 O +ATOM 2184 H1 TIP3 1440 14.794 5.349 16.733 0.00 0.00 WT0 H +ATOM 2185 H2 TIP3 1440 16.174 5.839 16.343 0.00 0.00 WT0 H +ATOM 2186 OH2 TIP3 1442 25.035 9.228 -21.937 0.00 0.00 WT0 O +ATOM 2187 H1 TIP3 1442 24.155 8.928 -22.147 0.00 0.00 WT0 H +ATOM 2188 H2 TIP3 1442 24.905 9.888 -21.257 0.00 0.00 WT0 H +ATOM 2189 OH2 TIP3 1443 -14.989 -14.042 -6.641 0.00 0.00 WT0 O +ATOM 2190 H1 TIP3 1443 -14.469 -13.312 -6.971 0.00 0.00 WT0 H +ATOM 2191 H2 TIP3 1443 -15.869 -13.682 -6.551 0.00 0.00 WT0 H +ATOM 2192 OH2 TIP3 1444 -3.506 -15.757 -15.065 0.00 0.00 WT0 O +ATOM 2193 H1 TIP3 1444 -2.716 -16.297 -15.115 0.00 0.00 WT0 H +ATOM 2194 H2 TIP3 1444 -4.166 -16.337 -14.675 0.00 0.00 WT0 H +ATOM 2195 OH2 TIP3 1450 17.067 -7.384 10.861 0.00 0.00 WT0 O +ATOM 2196 H1 TIP3 1450 17.287 -8.264 10.561 0.00 0.00 WT0 H +ATOM 2197 H2 TIP3 1450 17.717 -7.194 11.541 0.00 0.00 WT0 H +ATOM 2198 OH2 TIP3 1451 -5.120 -7.081 -4.963 0.00 0.00 WT0 O +ATOM 2199 H1 TIP3 1451 -4.610 -6.481 -5.493 0.00 0.00 WT0 H +ATOM 2200 H2 TIP3 1451 -4.740 -7.941 -5.143 0.00 0.00 WT0 H +ATOM 2201 OH2 TIP3 1453 -22.910 19.231 16.385 0.00 0.00 WT0 O +ATOM 2202 H1 TIP3 1453 -22.250 19.231 15.695 0.00 0.00 WT0 H +ATOM 2203 H2 TIP3 1453 -22.440 18.911 17.155 0.00 0.00 WT0 H +ATOM 2204 OH2 TIP3 1454 8.458 -11.062 -5.219 0.00 0.00 WT0 O +ATOM 2205 H1 TIP3 1454 7.758 -10.552 -5.629 0.00 0.00 WT0 H +ATOM 2206 H2 TIP3 1454 8.358 -10.912 -4.279 0.00 0.00 WT0 H +ATOM 2207 OH2 TIP3 1455 21.851 -22.341 -19.371 0.00 0.00 WT0 O +ATOM 2208 H1 TIP3 1455 22.781 -22.371 -19.161 0.00 0.00 WT0 H +ATOM 2209 H2 TIP3 1455 21.441 -22.921 -18.721 0.00 0.00 WT0 H +ATOM 2210 OH2 TIP3 1456 -17.980 3.190 18.399 0.00 0.00 WT0 O +ATOM 2211 H1 TIP3 1456 -18.760 3.740 18.479 0.00 0.00 WT0 H +ATOM 2212 H2 TIP3 1456 -17.250 3.770 18.649 0.00 0.00 WT0 H +ATOM 2213 OH2 TIP3 1457 12.274 5.680 23.826 0.00 0.00 WT0 O +ATOM 2214 H1 TIP3 1457 12.214 5.090 23.076 0.00 0.00 WT0 H +ATOM 2215 H2 TIP3 1457 11.374 5.960 23.986 0.00 0.00 WT0 H +ATOM 2216 OH2 TIP3 1458 -10.004 -21.798 -22.834 0.00 0.00 WT0 O +ATOM 2217 H1 TIP3 1458 -10.934 -21.798 -23.024 0.00 0.00 WT0 H +ATOM 2218 H2 TIP3 1458 -9.954 -21.758 -21.874 0.00 0.00 WT0 H +ATOM 2219 OH2 TIP3 1459 -14.375 15.509 -8.162 0.00 0.00 WT0 O +ATOM 2220 H1 TIP3 1459 -13.485 15.409 -7.832 0.00 0.00 WT0 H +ATOM 2221 H2 TIP3 1459 -14.865 14.789 -7.752 0.00 0.00 WT0 H +ATOM 2222 OH2 TIP3 1461 0.051 4.463 -14.384 0.00 0.00 WT0 O +ATOM 2223 H1 TIP3 1461 0.601 3.693 -14.224 0.00 0.00 WT0 H +ATOM 2224 H2 TIP3 1461 -0.039 4.503 -15.334 0.00 0.00 WT0 H +ATOM 2225 OH2 TIP3 1463 1.019 0.663 19.431 0.00 0.00 WT0 O +ATOM 2226 H1 TIP3 1463 0.919 1.553 19.771 0.00 0.00 WT0 H +ATOM 2227 H2 TIP3 1463 0.309 0.573 18.791 0.00 0.00 WT0 H +ATOM 2228 OH2 TIP3 1464 17.561 14.442 -18.741 0.00 0.00 WT0 O +ATOM 2229 H1 TIP3 1464 16.751 14.942 -18.841 0.00 0.00 WT0 H +ATOM 2230 H2 TIP3 1464 18.131 15.012 -18.231 0.00 0.00 WT0 H +ATOM 2231 OH2 TIP3 1466 9.591 -1.851 -1.488 0.00 0.00 WT0 O +ATOM 2232 H1 TIP3 1466 9.531 -2.631 -0.938 0.00 0.00 WT0 H +ATOM 2233 H2 TIP3 1466 10.461 -1.481 -1.308 0.00 0.00 WT0 H +ATOM 2234 OH2 TIP3 1471 19.703 -0.765 -3.943 0.00 0.00 WT0 O +ATOM 2235 H1 TIP3 1471 19.313 -1.175 -3.173 0.00 0.00 WT0 H +ATOM 2236 H2 TIP3 1471 20.133 0.015 -3.613 0.00 0.00 WT0 H +ATOM 2237 OH2 TIP3 1474 -23.879 7.922 23.809 0.00 0.00 WT0 O +ATOM 2238 H1 TIP3 1474 -23.479 7.052 23.849 0.00 0.00 WT0 H +ATOM 2239 H2 TIP3 1474 -23.989 8.182 24.719 0.00 0.00 WT0 H +ATOM 2240 OH2 TIP3 1476 -10.745 17.885 -5.572 0.00 0.00 WT0 O +ATOM 2241 H1 TIP3 1476 -11.465 17.475 -5.082 0.00 0.00 WT0 H +ATOM 2242 H2 TIP3 1476 -9.955 17.625 -5.092 0.00 0.00 WT0 H +ATOM 2243 OH2 TIP3 1477 -8.054 4.400 -14.243 0.00 0.00 WT0 O +ATOM 2244 H1 TIP3 1477 -8.684 4.680 -13.583 0.00 0.00 WT0 H +ATOM 2245 H2 TIP3 1477 -7.384 5.080 -14.243 0.00 0.00 WT0 H +ATOM 2246 OH2 TIP3 1479 -11.627 -13.231 8.112 0.00 0.00 WT0 O +ATOM 2247 H1 TIP3 1479 -12.317 -13.661 8.612 0.00 0.00 WT0 H +ATOM 2248 H2 TIP3 1479 -10.847 -13.761 8.252 0.00 0.00 WT0 H +ATOM 2249 OH2 TIP3 1480 -8.677 -18.850 -0.819 0.00 0.00 WT0 O +ATOM 2250 H1 TIP3 1480 -7.997 -19.270 -0.289 0.00 0.00 WT0 H +ATOM 2251 H2 TIP3 1480 -9.497 -19.270 -0.539 0.00 0.00 WT0 H +ATOM 2252 OH2 TIP3 1483 -3.734 -12.971 -4.178 0.00 0.00 WT0 O +ATOM 2253 H1 TIP3 1483 -3.524 -12.331 -3.498 0.00 0.00 WT0 H +ATOM 2254 H2 TIP3 1483 -2.884 -13.271 -4.488 0.00 0.00 WT0 H +ATOM 2255 OH2 TIP3 1485 -18.175 19.668 1.592 0.00 0.00 WT0 O +ATOM 2256 H1 TIP3 1485 -17.285 19.348 1.732 0.00 0.00 WT0 H +ATOM 2257 H2 TIP3 1485 -18.235 19.818 0.652 0.00 0.00 WT0 H +ATOM 2258 OH2 TIP3 1492 13.734 2.174 13.993 0.00 0.00 WT0 O +ATOM 2259 H1 TIP3 1492 14.514 1.924 14.493 0.00 0.00 WT0 H +ATOM 2260 H2 TIP3 1492 13.174 2.604 14.633 0.00 0.00 WT0 H +ATOM 2261 OH2 TIP3 1493 -5.266 19.307 4.472 0.00 0.00 WT0 O +ATOM 2262 H1 TIP3 1493 -4.766 19.417 3.662 0.00 0.00 WT0 H +ATOM 2263 H2 TIP3 1493 -5.376 18.367 4.552 0.00 0.00 WT0 H +ATOM 2264 OH2 TIP3 1494 -15.949 1.498 -23.478 0.00 0.00 WT0 O +ATOM 2265 H1 TIP3 1494 -16.579 1.308 -22.778 0.00 0.00 WT0 H +ATOM 2266 H2 TIP3 1494 -16.269 0.998 -24.228 0.00 0.00 WT0 H +ATOM 2267 OH2 TIP3 1497 14.618 -8.067 20.419 0.00 0.00 WT0 O +ATOM 2268 H1 TIP3 1497 15.408 -7.787 20.879 0.00 0.00 WT0 H +ATOM 2269 H2 TIP3 1497 14.028 -7.317 20.489 0.00 0.00 WT0 H +ATOM 2270 OH2 TIP3 1499 -16.417 -1.249 -21.910 0.00 0.00 WT0 O +ATOM 2271 H1 TIP3 1499 -16.297 -1.679 -22.760 0.00 0.00 WT0 H +ATOM 2272 H2 TIP3 1499 -15.747 -1.629 -21.350 0.00 0.00 WT0 H +ATOM 2273 OH2 TIP3 1500 2.957 -15.915 19.223 0.00 0.00 WT0 O +ATOM 2274 H1 TIP3 1500 3.877 -15.875 19.493 0.00 0.00 WT0 H +ATOM 2275 H2 TIP3 1500 2.637 -16.745 19.573 0.00 0.00 WT0 H +ATOM 2276 OH2 TIP3 1501 -10.462 16.824 -11.641 0.00 0.00 WT0 O +ATOM 2277 H1 TIP3 1501 -10.282 17.374 -12.401 0.00 0.00 WT0 H +ATOM 2278 H2 TIP3 1501 -9.732 16.214 -11.611 0.00 0.00 WT0 H +ATOM 2279 OH2 TIP3 1502 23.231 16.440 2.015 0.00 0.00 WT0 O +ATOM 2280 H1 TIP3 1502 23.871 15.900 2.485 0.00 0.00 WT0 H +ATOM 2281 H2 TIP3 1502 23.531 16.450 1.105 0.00 0.00 WT0 H +ATOM 2282 OH2 TIP3 1505 18.471 1.277 -5.286 0.00 0.00 WT0 O +ATOM 2283 H1 TIP3 1505 17.591 1.157 -5.656 0.00 0.00 WT0 H +ATOM 2284 H2 TIP3 1505 18.731 0.397 -5.006 0.00 0.00 WT0 H +ATOM 2285 OH2 TIP3 1507 9.647 -7.590 -17.361 0.00 0.00 WT0 O +ATOM 2286 H1 TIP3 1507 10.017 -6.970 -16.721 0.00 0.00 WT0 H +ATOM 2287 H2 TIP3 1507 9.707 -8.440 -16.931 0.00 0.00 WT0 H +ATOM 2288 OH2 TIP3 1512 17.226 3.342 17.036 0.00 0.00 WT0 O +ATOM 2289 H1 TIP3 1512 16.966 4.262 16.976 0.00 0.00 WT0 H +ATOM 2290 H2 TIP3 1512 17.666 3.272 17.886 0.00 0.00 WT0 H +ATOM 2291 OH2 TIP3 1514 -6.063 -5.014 5.623 0.00 0.00 WT0 O +ATOM 2292 H1 TIP3 1514 -5.123 -5.184 5.693 0.00 0.00 WT0 H +ATOM 2293 H2 TIP3 1514 -6.353 -5.544 4.883 0.00 0.00 WT0 H +ATOM 2294 OH2 TIP3 1515 -22.496 -20.247 -16.844 0.00 0.00 WT0 O +ATOM 2295 H1 TIP3 1515 -21.956 -20.737 -17.464 0.00 0.00 WT0 H +ATOM 2296 H2 TIP3 1515 -22.576 -20.827 -16.084 0.00 0.00 WT0 H +ATOM 2297 OH2 TIP3 1518 11.087 -20.020 3.784 0.00 0.00 WT0 O +ATOM 2298 H1 TIP3 1518 11.157 -19.560 2.944 0.00 0.00 WT0 H +ATOM 2299 H2 TIP3 1518 11.517 -20.860 3.634 0.00 0.00 WT0 H +ATOM 2300 OH2 TIP3 1519 -14.153 10.584 -16.638 0.00 0.00 WT0 O +ATOM 2301 H1 TIP3 1519 -14.463 10.794 -15.758 0.00 0.00 WT0 H +ATOM 2302 H2 TIP3 1519 -14.943 10.334 -17.118 0.00 0.00 WT0 H +ATOM 2303 OH2 TIP3 1520 2.050 -1.600 11.916 0.00 0.00 WT0 O +ATOM 2304 H1 TIP3 1520 1.770 -1.820 11.026 0.00 0.00 WT0 H +ATOM 2305 H2 TIP3 1520 2.060 -0.650 11.936 0.00 0.00 WT0 H +ATOM 2306 OH2 TIP3 1522 10.824 -22.150 16.723 0.00 0.00 WT0 O +ATOM 2307 H1 TIP3 1522 10.324 -21.950 17.513 0.00 0.00 WT0 H +ATOM 2308 H2 TIP3 1522 11.524 -22.730 17.023 0.00 0.00 WT0 H +ATOM 2309 OH2 TIP3 1524 17.616 24.581 15.991 0.00 0.00 WT0 O +ATOM 2310 H1 TIP3 1524 18.426 24.071 15.891 0.00 0.00 WT0 H +ATOM 2311 H2 TIP3 1524 16.926 23.921 16.091 0.00 0.00 WT0 H +ATOM 2312 OH2 TIP3 1526 -8.854 -12.520 9.546 0.00 0.00 WT0 O +ATOM 2313 H1 TIP3 1526 -8.674 -13.180 10.226 0.00 0.00 WT0 H +ATOM 2314 H2 TIP3 1526 -9.424 -11.890 9.986 0.00 0.00 WT0 H +ATOM 2315 OH2 TIP3 1527 0.565 -20.057 -22.979 0.00 0.00 WT0 O +ATOM 2316 H1 TIP3 1527 0.085 -19.917 -22.159 0.00 0.00 WT0 H +ATOM 2317 H2 TIP3 1527 1.485 -20.067 -22.719 0.00 0.00 WT0 H +ATOM 2318 OH2 TIP3 1528 11.971 -6.075 10.810 0.00 0.00 WT0 O +ATOM 2319 H1 TIP3 1528 12.921 -5.955 10.770 0.00 0.00 WT0 H +ATOM 2320 H2 TIP3 1528 11.861 -7.005 10.990 0.00 0.00 WT0 H +ATOM 2321 OH2 TIP3 1529 -18.419 15.932 -7.989 0.00 0.00 WT0 O +ATOM 2322 H1 TIP3 1529 -18.249 15.262 -8.649 0.00 0.00 WT0 H +ATOM 2323 H2 TIP3 1529 -17.869 16.672 -8.229 0.00 0.00 WT0 H +ATOM 2324 OH2 TIP3 1531 17.057 -20.005 -2.991 0.00 0.00 WT0 O +ATOM 2325 H1 TIP3 1531 16.267 -19.475 -3.091 0.00 0.00 WT0 H +ATOM 2326 H2 TIP3 1531 16.727 -20.885 -2.781 0.00 0.00 WT0 H +ATOM 2327 OH2 TIP3 1532 -19.606 14.669 -5.937 0.00 0.00 WT0 O +ATOM 2328 H1 TIP3 1532 -18.986 14.999 -6.587 0.00 0.00 WT0 H +ATOM 2329 H2 TIP3 1532 -19.686 13.739 -6.137 0.00 0.00 WT0 H +ATOM 2330 OH2 TIP3 1534 -19.897 -19.625 15.722 0.00 0.00 WT0 O +ATOM 2331 H1 TIP3 1534 -19.237 -20.175 16.152 0.00 0.00 WT0 H +ATOM 2332 H2 TIP3 1534 -20.317 -19.155 16.442 0.00 0.00 WT0 H +ATOM 2333 OH2 TIP3 1536 9.984 -20.363 -19.980 0.00 0.00 WT0 O +ATOM 2334 H1 TIP3 1536 9.734 -19.663 -20.590 0.00 0.00 WT0 H +ATOM 2335 H2 TIP3 1536 9.254 -20.973 -20.000 0.00 0.00 WT0 H +ATOM 2336 OH2 TIP3 1537 -3.755 19.738 14.243 0.00 0.00 WT0 O +ATOM 2337 H1 TIP3 1537 -4.015 19.348 15.073 0.00 0.00 WT0 H +ATOM 2338 H2 TIP3 1537 -4.565 19.808 13.743 0.00 0.00 WT0 H +ATOM 2339 OH2 TIP3 1538 16.036 13.595 -3.155 0.00 0.00 WT0 O +ATOM 2340 H1 TIP3 1538 15.356 13.635 -3.825 0.00 0.00 WT0 H +ATOM 2341 H2 TIP3 1538 16.306 14.505 -3.035 0.00 0.00 WT0 H +ATOM 2342 OH2 TIP3 1540 -17.696 -12.971 -0.859 0.00 0.00 WT0 O +ATOM 2343 H1 TIP3 1540 -17.636 -12.271 -0.209 0.00 0.00 WT0 H +ATOM 2344 H2 TIP3 1540 -18.436 -13.501 -0.569 0.00 0.00 WT0 H +ATOM 2345 OH2 TIP3 1543 13.250 3.869 -17.598 0.00 0.00 WT0 O +ATOM 2346 H1 TIP3 1543 13.430 4.809 -17.648 0.00 0.00 WT0 H +ATOM 2347 H2 TIP3 1543 12.530 3.729 -18.208 0.00 0.00 WT0 H +ATOM 2348 OH2 TIP3 1544 7.295 -4.635 -2.002 0.00 0.00 WT0 O +ATOM 2349 H1 TIP3 1544 7.115 -3.705 -2.082 0.00 0.00 WT0 H +ATOM 2350 H2 TIP3 1544 6.445 -5.025 -1.792 0.00 0.00 WT0 H +ATOM 2351 OH2 TIP3 1545 9.545 -10.596 -18.611 0.00 0.00 WT0 O +ATOM 2352 H1 TIP3 1545 9.945 -11.086 -19.321 0.00 0.00 WT0 H +ATOM 2353 H2 TIP3 1545 8.725 -11.056 -18.431 0.00 0.00 WT0 H +ATOM 2354 OH2 TIP3 1546 -13.424 -5.364 -7.701 0.00 0.00 WT0 O +ATOM 2355 H1 TIP3 1546 -14.014 -5.954 -8.171 0.00 0.00 WT0 H +ATOM 2356 H2 TIP3 1546 -13.664 -5.454 -6.781 0.00 0.00 WT0 H +ATOM 2357 OH2 TIP3 1548 1.467 -13.168 -2.947 0.00 0.00 WT0 O +ATOM 2358 H1 TIP3 1548 1.407 -13.688 -2.137 0.00 0.00 WT0 H +ATOM 2359 H2 TIP3 1548 1.647 -12.278 -2.647 0.00 0.00 WT0 H +ATOM 2360 OH2 TIP3 1549 -19.207 21.694 3.096 0.00 0.00 WT0 O +ATOM 2361 H1 TIP3 1549 -18.877 20.964 2.576 0.00 0.00 WT0 H +ATOM 2362 H2 TIP3 1549 -18.497 22.334 3.086 0.00 0.00 WT0 H +ATOM 2363 OH2 TIP3 1552 11.494 -12.926 17.442 0.00 0.00 WT0 O +ATOM 2364 H1 TIP3 1552 12.064 -13.576 17.042 0.00 0.00 WT0 H +ATOM 2365 H2 TIP3 1552 12.034 -12.146 17.522 0.00 0.00 WT0 H +ATOM 2366 OH2 TIP3 1555 11.051 24.105 -15.900 0.00 0.00 WT0 O +ATOM 2367 H1 TIP3 1555 10.121 24.065 -16.130 0.00 0.00 WT0 H +ATOM 2368 H2 TIP3 1555 11.081 24.625 -15.100 0.00 0.00 WT0 H +ATOM 2369 OH2 TIP3 1557 -2.905 -13.477 -17.898 0.00 0.00 WT0 O +ATOM 2370 H1 TIP3 1557 -3.245 -14.207 -17.388 0.00 0.00 WT0 H +ATOM 2371 H2 TIP3 1557 -2.225 -13.087 -17.348 0.00 0.00 WT0 H +ATOM 2372 OH2 TIP3 1559 -18.993 -19.675 20.781 0.00 0.00 WT0 O +ATOM 2373 H1 TIP3 1559 -18.843 -20.505 21.211 0.00 0.00 WT0 H +ATOM 2374 H2 TIP3 1559 -18.913 -19.025 21.481 0.00 0.00 WT0 H +ATOM 2375 OH2 TIP3 1560 -14.549 -4.739 14.620 0.00 0.00 WT0 O +ATOM 2376 H1 TIP3 1560 -15.359 -4.719 14.120 0.00 0.00 WT0 H +ATOM 2377 H2 TIP3 1560 -13.869 -4.479 14.000 0.00 0.00 WT0 H +ATOM 2378 OH2 TIP3 1563 12.995 9.313 -0.831 0.00 0.00 WT0 O +ATOM 2379 H1 TIP3 1563 12.125 9.593 -1.111 0.00 0.00 WT0 H +ATOM 2380 H2 TIP3 1563 12.915 8.363 -0.721 0.00 0.00 WT0 H +ATOM 2381 OH2 TIP3 1565 2.298 -8.720 -11.591 0.00 0.00 WT0 O +ATOM 2382 H1 TIP3 1565 3.168 -8.470 -11.291 0.00 0.00 WT0 H +ATOM 2383 H2 TIP3 1565 1.808 -8.920 -10.791 0.00 0.00 WT0 H +ATOM 2384 OH2 TIP3 1566 0.117 -8.759 -2.205 0.00 0.00 WT0 O +ATOM 2385 H1 TIP3 1566 -0.613 -8.409 -2.715 0.00 0.00 WT0 H +ATOM 2386 H2 TIP3 1566 0.737 -9.069 -2.855 0.00 0.00 WT0 H +ATOM 2387 OH2 TIP3 1567 2.364 -8.800 10.821 0.00 0.00 WT0 O +ATOM 2388 H1 TIP3 1567 2.444 -9.710 10.551 0.00 0.00 WT0 H +ATOM 2389 H2 TIP3 1567 1.624 -8.470 10.311 0.00 0.00 WT0 H +ATOM 2390 OH2 TIP3 1568 14.623 -10.515 9.539 0.00 0.00 WT0 O +ATOM 2391 H1 TIP3 1568 15.473 -10.465 9.089 0.00 0.00 WT0 H +ATOM 2392 H2 TIP3 1568 14.083 -11.065 8.979 0.00 0.00 WT0 H +ATOM 2393 OH2 TIP3 1569 -12.685 16.449 24.512 0.00 0.00 WT0 O +ATOM 2394 H1 TIP3 1569 -12.405 16.919 23.722 0.00 0.00 WT0 H +ATOM 2395 H2 TIP3 1569 -13.355 15.829 24.192 0.00 0.00 WT0 H +ATOM 2396 OH2 TIP3 1570 11.935 -22.123 2.708 0.00 0.00 WT0 O +ATOM 2397 H1 TIP3 1570 11.625 -22.663 1.978 0.00 0.00 WT0 H +ATOM 2398 H2 TIP3 1570 12.005 -22.733 3.438 0.00 0.00 WT0 H +ATOM 2399 OH2 TIP3 1576 6.978 -21.606 -23.818 0.00 0.00 WT0 O +ATOM 2400 H1 TIP3 1576 6.688 -20.976 -24.478 0.00 0.00 WT0 H +ATOM 2401 H2 TIP3 1576 7.358 -21.066 -23.128 0.00 0.00 WT0 H +ATOM 2402 OH2 TIP3 1577 18.846 3.997 12.450 0.00 0.00 WT0 O +ATOM 2403 H1 TIP3 1577 19.796 4.047 12.490 0.00 0.00 WT0 H +ATOM 2404 H2 TIP3 1577 18.556 4.887 12.260 0.00 0.00 WT0 H +ATOM 2405 OH2 TIP3 1580 -8.074 17.118 -13.534 0.00 0.00 WT0 O +ATOM 2406 H1 TIP3 1580 -8.594 17.178 -14.344 0.00 0.00 WT0 H +ATOM 2407 H2 TIP3 1580 -7.304 16.608 -13.784 0.00 0.00 WT0 H +ATOM 2408 OH2 TIP3 1581 2.075 10.708 14.956 0.00 0.00 WT0 O +ATOM 2409 H1 TIP3 1581 2.955 10.728 15.326 0.00 0.00 WT0 H +ATOM 2410 H2 TIP3 1581 2.175 10.298 14.096 0.00 0.00 WT0 H +ATOM 2411 OH2 TIP3 1582 24.193 -15.965 -23.572 0.00 0.00 WT0 O +ATOM 2412 H1 TIP3 1582 23.913 -15.815 -24.472 0.00 0.00 WT0 H +ATOM 2413 H2 TIP3 1582 23.423 -16.325 -23.142 0.00 0.00 WT0 H +ATOM 2414 OH2 TIP3 1583 -2.313 4.640 18.650 0.00 0.00 WT0 O +ATOM 2415 H1 TIP3 1583 -2.693 4.990 17.850 0.00 0.00 WT0 H +ATOM 2416 H2 TIP3 1583 -2.343 3.690 18.550 0.00 0.00 WT0 H +ATOM 2417 OH2 TIP3 1584 4.758 12.688 18.950 0.00 0.00 WT0 O +ATOM 2418 H1 TIP3 1584 4.428 13.578 19.110 0.00 0.00 WT0 H +ATOM 2419 H2 TIP3 1584 5.648 12.828 18.620 0.00 0.00 WT0 H +ATOM 2420 OH2 TIP3 1586 -10.607 24.051 -1.556 0.00 0.00 WT0 O +ATOM 2421 H1 TIP3 1586 -10.457 23.521 -0.776 0.00 0.00 WT0 H +ATOM 2422 H2 TIP3 1586 -10.927 24.891 -1.216 0.00 0.00 WT0 H +ATOM 2423 OH2 TIP3 1587 6.145 -17.796 22.926 0.00 0.00 WT0 O +ATOM 2424 H1 TIP3 1587 5.245 -17.826 22.616 0.00 0.00 WT0 H +ATOM 2425 H2 TIP3 1587 6.085 -17.426 23.806 0.00 0.00 WT0 H +ATOM 2426 OH2 TIP3 1589 6.821 -24.514 16.159 0.00 0.00 WT0 O +ATOM 2427 H1 TIP3 1589 7.131 -24.244 17.019 0.00 0.00 WT0 H +ATOM 2428 H2 TIP3 1589 7.171 -23.854 15.559 0.00 0.00 WT0 H +ATOM 2429 OH2 TIP3 1590 18.375 22.613 22.225 0.00 0.00 WT0 O +ATOM 2430 H1 TIP3 1590 17.985 22.413 23.075 0.00 0.00 WT0 H +ATOM 2431 H2 TIP3 1590 19.185 22.093 22.205 0.00 0.00 WT0 H +ATOM 2432 OH2 TIP3 1591 20.478 17.414 -13.268 0.00 0.00 WT0 O +ATOM 2433 H1 TIP3 1591 21.368 17.304 -13.608 0.00 0.00 WT0 H +ATOM 2434 H2 TIP3 1591 19.968 17.694 -14.028 0.00 0.00 WT0 H +ATOM 2435 OH2 TIP3 1592 -23.963 0.592 -10.268 0.00 0.00 WT0 O +ATOM 2436 H1 TIP3 1592 -24.263 0.042 -9.548 0.00 0.00 WT0 H +ATOM 2437 H2 TIP3 1592 -24.603 0.432 -10.968 0.00 0.00 WT0 H +ATOM 2438 OH2 TIP3 1595 -5.915 4.275 2.482 0.00 0.00 WT0 O +ATOM 2439 H1 TIP3 1595 -4.975 4.405 2.612 0.00 0.00 WT0 H +ATOM 2440 H2 TIP3 1595 -6.315 5.085 2.802 0.00 0.00 WT0 H +ATOM 2441 OH2 TIP3 1598 -24.473 -20.209 0.891 0.00 0.00 WT0 O +ATOM 2442 H1 TIP3 1598 -23.763 -20.029 0.271 0.00 0.00 WT0 H +ATOM 2443 H2 TIP3 1598 -24.213 -21.019 1.321 0.00 0.00 WT0 H +ATOM 2444 OH2 TIP3 1599 -0.753 15.575 0.316 0.00 0.00 WT0 O +ATOM 2445 H1 TIP3 1599 -1.553 15.065 0.396 0.00 0.00 WT0 H +ATOM 2446 H2 TIP3 1599 -0.543 15.555 -0.624 0.00 0.00 WT0 H +ATOM 2447 OH2 TIP3 1600 23.193 -15.437 -1.924 0.00 0.00 WT0 O +ATOM 2448 H1 TIP3 1600 23.373 -15.977 -1.164 0.00 0.00 WT0 H +ATOM 2449 H2 TIP3 1600 23.703 -15.837 -2.634 0.00 0.00 WT0 H +ATOM 2450 OH2 TIP3 1602 5.954 -17.546 14.512 0.00 0.00 WT0 O +ATOM 2451 H1 TIP3 1602 5.064 -17.206 14.492 0.00 0.00 WT0 H +ATOM 2452 H2 TIP3 1602 6.504 -16.796 14.742 0.00 0.00 WT0 H +ATOM 2453 OH2 TIP3 1603 -5.206 22.569 18.311 0.00 0.00 WT0 O +ATOM 2454 H1 TIP3 1603 -4.536 21.959 18.621 0.00 0.00 WT0 H +ATOM 2455 H2 TIP3 1603 -5.846 22.609 19.021 0.00 0.00 WT0 H +ATOM 2456 OH2 TIP3 1604 -20.389 17.844 -20.738 0.00 0.00 WT0 O +ATOM 2457 H1 TIP3 1604 -19.759 18.334 -21.268 0.00 0.00 WT0 H +ATOM 2458 H2 TIP3 1604 -20.039 17.914 -19.838 0.00 0.00 WT0 H +ATOM 2459 OH2 TIP3 1608 -7.870 -17.263 -21.782 0.00 0.00 WT0 O +ATOM 2460 H1 TIP3 1608 -7.370 -16.493 -22.042 0.00 0.00 WT0 H +ATOM 2461 H2 TIP3 1608 -7.270 -17.753 -21.222 0.00 0.00 WT0 H +ATOM 2462 OH2 TIP3 1609 11.318 12.215 2.502 0.00 0.00 WT0 O +ATOM 2463 H1 TIP3 1609 10.848 11.865 1.742 0.00 0.00 WT0 H +ATOM 2464 H2 TIP3 1609 11.328 13.155 2.352 0.00 0.00 WT0 H +ATOM 2465 OH2 TIP3 1610 -19.245 5.735 12.051 0.00 0.00 WT0 O +ATOM 2466 H1 TIP3 1610 -19.715 6.455 11.621 0.00 0.00 WT0 H +ATOM 2467 H2 TIP3 1610 -18.575 6.165 12.581 0.00 0.00 WT0 H +ATOM 2468 OH2 TIP3 1611 -15.664 -23.271 -9.147 0.00 0.00 WT0 O +ATOM 2469 H1 TIP3 1611 -14.804 -23.651 -8.957 0.00 0.00 WT0 H +ATOM 2470 H2 TIP3 1611 -16.204 -23.551 -8.417 0.00 0.00 WT0 H +ATOM 2471 OH2 TIP3 1612 4.273 -3.518 -12.229 0.00 0.00 WT0 O +ATOM 2472 H1 TIP3 1612 4.223 -4.368 -11.819 0.00 0.00 WT0 H +ATOM 2473 H2 TIP3 1612 5.083 -3.128 -11.899 0.00 0.00 WT0 H +ATOM 2474 OH2 TIP3 1616 7.705 -20.871 20.777 0.00 0.00 WT0 O +ATOM 2475 H1 TIP3 1616 7.025 -20.381 21.237 0.00 0.00 WT0 H +ATOM 2476 H2 TIP3 1616 8.215 -20.201 20.317 0.00 0.00 WT0 H +ATOM 2477 OH2 TIP3 1617 5.146 24.608 17.511 0.00 0.00 WT0 O +ATOM 2478 H1 TIP3 1617 4.806 24.018 16.831 0.00 0.00 WT0 H +ATOM 2479 H2 TIP3 1617 5.936 24.988 17.121 0.00 0.00 WT0 H +ATOM 2480 OH2 TIP3 1618 -9.076 -8.098 -17.073 0.00 0.00 WT0 O +ATOM 2481 H1 TIP3 1618 -9.536 -8.678 -16.463 0.00 0.00 WT0 H +ATOM 2482 H2 TIP3 1618 -8.826 -7.338 -16.533 0.00 0.00 WT0 H +ATOM 2483 OH2 TIP3 1623 -9.957 17.250 -15.502 0.00 0.00 WT0 O +ATOM 2484 H1 TIP3 1623 -10.397 18.050 -15.762 0.00 0.00 WT0 H +ATOM 2485 H2 TIP3 1623 -9.877 16.740 -16.322 0.00 0.00 WT0 H +ATOM 2486 OH2 TIP3 1624 -15.404 -12.337 4.776 0.00 0.00 WT0 O +ATOM 2487 H1 TIP3 1624 -15.064 -13.087 4.276 0.00 0.00 WT0 H +ATOM 2488 H2 TIP3 1624 -16.314 -12.267 4.506 0.00 0.00 WT0 H +ATOM 2489 OH2 TIP3 1625 15.891 -15.792 -7.405 0.00 0.00 WT0 O +ATOM 2490 H1 TIP3 1625 15.381 -15.692 -8.205 0.00 0.00 WT0 H +ATOM 2491 H2 TIP3 1625 15.381 -15.322 -6.745 0.00 0.00 WT0 H +ATOM 2492 OH2 TIP3 1626 -11.723 -17.494 3.051 0.00 0.00 WT0 O +ATOM 2493 H1 TIP3 1626 -12.163 -17.704 2.221 0.00 0.00 WT0 H +ATOM 2494 H2 TIP3 1626 -12.403 -17.604 3.711 0.00 0.00 WT0 H +ATOM 2495 OH2 TIP3 1629 2.036 -5.092 22.149 0.00 0.00 WT0 O +ATOM 2496 H1 TIP3 1629 2.386 -4.282 22.529 0.00 0.00 WT0 H +ATOM 2497 H2 TIP3 1629 2.746 -5.732 22.259 0.00 0.00 WT0 H +ATOM 2498 OH2 TIP3 1638 -6.360 -13.728 -13.399 0.00 0.00 WT0 O +ATOM 2499 H1 TIP3 1638 -5.770 -13.558 -12.659 0.00 0.00 WT0 H +ATOM 2500 H2 TIP3 1638 -6.340 -14.678 -13.509 0.00 0.00 WT0 H +ATOM 2501 OH2 TIP3 1641 -0.417 19.131 7.865 0.00 0.00 WT0 O +ATOM 2502 H1 TIP3 1641 0.003 18.431 7.355 0.00 0.00 WT0 H +ATOM 2503 H2 TIP3 1641 0.143 19.891 7.725 0.00 0.00 WT0 H +ATOM 2504 OH2 TIP3 1642 -20.654 22.220 -22.944 0.00 0.00 WT0 O +ATOM 2505 H1 TIP3 1642 -20.644 22.320 -23.894 0.00 0.00 WT0 H +ATOM 2506 H2 TIP3 1642 -21.044 23.040 -22.624 0.00 0.00 WT0 H +ATOM 2507 OH2 TIP3 1643 23.640 5.702 -15.949 0.00 0.00 WT0 O +ATOM 2508 H1 TIP3 1643 22.700 5.752 -15.769 0.00 0.00 WT0 H +ATOM 2509 H2 TIP3 1643 23.760 6.212 -16.749 0.00 0.00 WT0 H +ATOM 2510 OH2 TIP3 1646 14.346 -13.449 17.859 0.00 0.00 WT0 O +ATOM 2511 H1 TIP3 1646 13.806 -13.309 18.629 0.00 0.00 WT0 H +ATOM 2512 H2 TIP3 1646 15.046 -12.799 17.929 0.00 0.00 WT0 H +ATOM 2513 OH2 TIP3 1647 7.097 19.104 -17.948 0.00 0.00 WT0 O +ATOM 2514 H1 TIP3 1647 6.917 18.604 -18.738 0.00 0.00 WT0 H +ATOM 2515 H2 TIP3 1647 6.447 19.804 -17.948 0.00 0.00 WT0 H +ATOM 2516 OH2 TIP3 1651 -0.666 -14.858 -9.069 0.00 0.00 WT0 O +ATOM 2517 H1 TIP3 1651 -1.546 -14.628 -9.379 0.00 0.00 WT0 H +ATOM 2518 H2 TIP3 1651 -0.726 -15.788 -8.859 0.00 0.00 WT0 H +ATOM 2519 OH2 TIP3 1655 14.091 -21.175 0.732 0.00 0.00 WT0 O +ATOM 2520 H1 TIP3 1655 14.991 -21.005 0.992 0.00 0.00 WT0 H +ATOM 2521 H2 TIP3 1655 13.641 -21.405 1.542 0.00 0.00 WT0 H +ATOM 2522 OH2 TIP3 1658 -11.174 -19.335 -7.721 0.00 0.00 WT0 O +ATOM 2523 H1 TIP3 1658 -10.804 -20.015 -7.161 0.00 0.00 WT0 H +ATOM 2524 H2 TIP3 1658 -11.814 -19.795 -8.271 0.00 0.00 WT0 H +ATOM 2525 OH2 TIP3 1666 -24.265 17.779 1.660 0.00 0.00 WT0 O +ATOM 2526 H1 TIP3 1666 -23.395 17.379 1.710 0.00 0.00 WT0 H +ATOM 2527 H2 TIP3 1666 -24.865 17.049 1.760 0.00 0.00 WT0 H +ATOM 2528 OH2 TIP3 1670 -12.113 -13.138 16.871 0.00 0.00 WT0 O +ATOM 2529 H1 TIP3 1670 -12.543 -12.278 16.871 0.00 0.00 WT0 H +ATOM 2530 H2 TIP3 1670 -12.833 -13.768 16.781 0.00 0.00 WT0 H +ATOM 2531 OH2 TIP3 1671 13.321 -10.399 18.256 0.00 0.00 WT0 O +ATOM 2532 H1 TIP3 1671 13.091 -11.059 18.906 0.00 0.00 WT0 H +ATOM 2533 H2 TIP3 1671 12.731 -9.659 18.436 0.00 0.00 WT0 H +ATOM 2534 OH2 TIP3 1675 1.813 9.146 -11.901 0.00 0.00 WT0 O +ATOM 2535 H1 TIP3 1675 2.453 8.726 -11.311 0.00 0.00 WT0 H +ATOM 2536 H2 TIP3 1675 2.293 9.876 -12.281 0.00 0.00 WT0 H +ATOM 2537 OH2 TIP3 1678 -24.687 -18.226 -23.075 0.00 0.00 WT0 O +ATOM 2538 H1 TIP3 1678 -25.267 -17.566 -23.455 0.00 0.00 WT0 H +ATOM 2539 H2 TIP3 1678 -24.167 -17.736 -22.435 0.00 0.00 WT0 H +ATOM 2540 OH2 TIP3 1681 -7.873 7.510 5.412 0.00 0.00 WT0 O +ATOM 2541 H1 TIP3 1681 -8.793 7.490 5.682 0.00 0.00 WT0 H +ATOM 2542 H2 TIP3 1681 -7.693 8.430 5.212 0.00 0.00 WT0 H +ATOM 2543 OH2 TIP3 1691 15.963 -24.560 20.479 0.00 0.00 WT0 O +ATOM 2544 H1 TIP3 1691 15.633 -24.040 19.739 0.00 0.00 WT0 H +ATOM 2545 H2 TIP3 1691 16.893 -24.680 20.289 0.00 0.00 WT0 H +ATOM 2546 OH2 TIP3 1692 -17.653 -11.235 -13.414 0.00 0.00 WT0 O +ATOM 2547 H1 TIP3 1692 -18.463 -10.855 -13.054 0.00 0.00 WT0 H +ATOM 2548 H2 TIP3 1692 -17.133 -11.465 -12.644 0.00 0.00 WT0 H +ATOM 2549 OH2 TIP3 1693 -20.429 24.671 -11.150 0.00 0.00 WT0 O +ATOM 2550 H1 TIP3 1693 -19.649 24.281 -11.540 0.00 0.00 WT0 H +ATOM 2551 H2 TIP3 1693 -20.109 25.101 -10.350 0.00 0.00 WT0 H +ATOM 2552 OH2 TIP3 1695 6.658 -9.821 20.222 0.00 0.00 WT0 O +ATOM 2553 H1 TIP3 1695 6.868 -10.761 20.152 0.00 0.00 WT0 H +ATOM 2554 H2 TIP3 1695 7.318 -9.471 20.812 0.00 0.00 WT0 H +ATOM 2555 OH2 TIP3 1707 -13.617 -19.352 -22.527 0.00 0.00 WT0 O +ATOM 2556 H1 TIP3 1707 -14.417 -19.602 -22.067 0.00 0.00 WT0 H +ATOM 2557 H2 TIP3 1707 -12.907 -19.642 -21.957 0.00 0.00 WT0 H +ATOM 2558 OH2 TIP3 1711 1.955 1.543 11.921 0.00 0.00 WT0 O +ATOM 2559 H1 TIP3 1711 2.065 1.993 12.761 0.00 0.00 WT0 H +ATOM 2560 H2 TIP3 1711 1.125 1.873 11.581 0.00 0.00 WT0 H +ATOM 2561 OH2 TIP3 1714 -12.102 -24.871 0.221 0.00 0.00 WT0 O +ATOM 2562 H1 TIP3 1714 -12.552 -24.151 -0.219 0.00 0.00 WT0 H +ATOM 2563 H2 TIP3 1714 -11.472 -24.431 0.811 0.00 0.00 WT0 H +ATOM 2564 OH2 TIP3 1718 -1.859 23.620 -7.071 0.00 0.00 WT0 O +ATOM 2565 H1 TIP3 1718 -1.149 24.210 -7.331 0.00 0.00 WT0 H +ATOM 2566 H2 TIP3 1718 -2.159 23.230 -7.891 0.00 0.00 WT0 H +ATOM 2567 OH2 TIP3 1722 7.537 0.343 -17.780 0.00 0.00 WT0 O +ATOM 2568 H1 TIP3 1722 7.627 0.953 -18.520 0.00 0.00 WT0 H +ATOM 2569 H2 TIP3 1722 8.317 0.493 -17.250 0.00 0.00 WT0 H +ATOM 2570 OH2 TIP3 1723 -14.848 15.993 -23.658 0.00 0.00 WT0 O +ATOM 2571 H1 TIP3 1723 -14.257 16.013 -22.908 0.00 0.00 WT0 H +ATOM 2572 H2 TIP3 1723 -15.598 15.483 -23.348 0.00 0.00 WT0 H +ATOM 2573 OH2 TIP3 1725 -2.507 10.510 -13.064 0.00 0.00 WT0 O +ATOM 2574 H1 TIP3 1725 -1.977 9.960 -12.494 0.00 0.00 WT0 H +ATOM 2575 H2 TIP3 1725 -1.927 11.240 -13.294 0.00 0.00 WT0 H +ATOM 2576 OH2 TIP3 1727 -10.692 -20.145 3.779 0.00 0.00 WT0 O +ATOM 2577 H1 TIP3 1727 -10.612 -19.355 4.309 0.00 0.00 WT0 H +ATOM 2578 H2 TIP3 1727 -9.952 -20.095 3.169 0.00 0.00 WT0 H +ATOM 2579 OH2 TIP3 1729 1.891 -6.830 14.117 0.00 0.00 WT0 O +ATOM 2580 H1 TIP3 1729 0.981 -6.740 13.827 0.00 0.00 WT0 H +ATOM 2581 H2 TIP3 1729 1.911 -6.410 14.977 0.00 0.00 WT0 H +ATOM 2582 OH2 TIP3 1730 -12.872 -23.711 -11.710 0.00 0.00 WT0 O +ATOM 2583 H1 TIP3 1730 -12.672 -23.111 -11.000 0.00 0.00 WT0 H +ATOM 2584 H2 TIP3 1730 -12.092 -24.271 -11.790 0.00 0.00 WT0 H +ATOM 2585 OH2 TIP3 1733 21.647 5.682 -0.285 0.00 0.00 WT0 O +ATOM 2586 H1 TIP3 1733 20.727 5.522 -0.485 0.00 0.00 WT0 H +ATOM 2587 H2 TIP3 1733 21.747 6.632 -0.355 0.00 0.00 WT0 H +ATOM 2588 OH2 TIP3 1735 18.189 -20.935 3.123 0.00 0.00 WT0 O +ATOM 2589 H1 TIP3 1735 17.269 -20.915 3.393 0.00 0.00 WT0 H +ATOM 2590 H2 TIP3 1735 18.169 -20.815 2.183 0.00 0.00 WT0 H +ATOM 2591 OH2 TIP3 1744 -10.172 20.495 21.175 0.00 0.00 WT0 O +ATOM 2592 H1 TIP3 1744 -9.812 19.755 21.665 0.00 0.00 WT0 H +ATOM 2593 H2 TIP3 1744 -9.822 20.385 20.295 0.00 0.00 WT0 H +ATOM 2594 OH2 TIP3 1746 8.839 5.547 -1.157 0.00 0.00 WT0 O +ATOM 2595 H1 TIP3 1746 8.469 4.877 -1.737 0.00 0.00 WT0 H +ATOM 2596 H2 TIP3 1746 8.689 6.377 -1.617 0.00 0.00 WT0 H +ATOM 2597 OH2 TIP3 1750 3.904 -18.335 -18.051 0.00 0.00 WT0 O +ATOM 2598 H1 TIP3 1750 3.974 -17.455 -18.411 0.00 0.00 WT0 H +ATOM 2599 H2 TIP3 1750 3.034 -18.635 -18.301 0.00 0.00 WT0 H +ATOM 2600 OH2 TIP3 1752 18.748 -14.514 13.487 0.00 0.00 WT0 O +ATOM 2601 H1 TIP3 1752 18.488 -15.284 13.987 0.00 0.00 WT0 H +ATOM 2602 H2 TIP3 1752 18.018 -14.364 12.887 0.00 0.00 WT0 H +ATOM 2603 OH2 TIP3 1755 -18.445 -11.441 -23.805 0.00 0.00 WT0 O +ATOM 2604 H1 TIP3 1755 -17.585 -11.531 -24.205 0.00 0.00 WT0 H +ATOM 2605 H2 TIP3 1755 -18.495 -10.511 -23.555 0.00 0.00 WT0 H +ATOM 2606 OH2 TIP3 1756 10.194 -11.662 -15.476 0.00 0.00 WT0 O +ATOM 2607 H1 TIP3 1756 9.704 -11.132 -16.106 0.00 0.00 WT0 H +ATOM 2608 H2 TIP3 1756 9.524 -11.972 -14.866 0.00 0.00 WT0 H +ATOM 2609 OH2 TIP3 1757 -12.199 7.924 10.735 0.00 0.00 WT0 O +ATOM 2610 H1 TIP3 1757 -12.999 8.394 10.965 0.00 0.00 WT0 H +ATOM 2611 H2 TIP3 1757 -12.359 7.024 10.995 0.00 0.00 WT0 H +ATOM 2612 OH2 TIP3 1764 -17.517 -0.643 -18.538 0.00 0.00 WT0 O +ATOM 2613 H1 TIP3 1764 -17.947 -0.623 -19.398 0.00 0.00 WT0 H +ATOM 2614 H2 TIP3 1764 -18.177 -1.023 -17.948 0.00 0.00 WT0 H +ATOM 2615 OH2 TIP3 1766 7.587 19.996 11.541 0.00 0.00 WT0 O +ATOM 2616 H1 TIP3 1766 7.437 20.396 10.681 0.00 0.00 WT0 H +ATOM 2617 H2 TIP3 1766 8.337 20.466 11.891 0.00 0.00 WT0 H +ATOM 2618 OH2 TIP3 1771 2.166 -1.502 23.994 0.00 0.00 WT0 O +ATOM 2619 H1 TIP3 1771 2.736 -2.042 23.454 0.00 0.00 WT0 H +ATOM 2620 H2 TIP3 1771 1.926 -0.762 23.434 0.00 0.00 WT0 H +ATOM 2621 OH2 TIP3 1772 -8.714 24.118 3.297 0.00 0.00 WT0 O +ATOM 2622 H1 TIP3 1772 -8.514 23.208 3.537 0.00 0.00 WT0 H +ATOM 2623 H2 TIP3 1772 -9.544 24.298 3.727 0.00 0.00 WT0 H +ATOM 2624 OH2 TIP3 1773 13.815 17.731 -9.266 0.00 0.00 WT0 O +ATOM 2625 H1 TIP3 1773 13.875 18.511 -9.826 0.00 0.00 WT0 H +ATOM 2626 H2 TIP3 1773 12.885 17.651 -9.066 0.00 0.00 WT0 H +ATOM 2627 OH2 TIP3 1775 -0.907 -11.737 8.309 0.00 0.00 WT0 O +ATOM 2628 H1 TIP3 1775 -1.317 -10.907 8.049 0.00 0.00 WT0 H +ATOM 2629 H2 TIP3 1775 0.003 -11.507 8.489 0.00 0.00 WT0 H +ATOM 2630 OH2 TIP3 1776 -6.810 19.892 -7.155 0.00 0.00 WT0 O +ATOM 2631 H1 TIP3 1776 -6.710 20.512 -7.885 0.00 0.00 WT0 H +ATOM 2632 H2 TIP3 1776 -7.720 20.002 -6.865 0.00 0.00 WT0 H +ATOM 2633 OH2 TIP3 1778 -2.454 -22.580 1.969 0.00 0.00 WT0 O +ATOM 2634 H1 TIP3 1778 -2.564 -22.130 2.799 0.00 0.00 WT0 H +ATOM 2635 H2 TIP3 1778 -2.044 -21.930 1.399 0.00 0.00 WT0 H +ATOM 2636 OH2 TIP3 1789 -23.817 8.709 11.666 0.00 0.00 WT0 O +ATOM 2637 H1 TIP3 1789 -23.417 9.249 10.976 0.00 0.00 WT0 H +ATOM 2638 H2 TIP3 1789 -23.107 8.159 11.986 0.00 0.00 WT0 H +ATOM 2639 OH2 TIP3 1790 -18.554 16.955 -23.788 0.00 0.00 WT0 O +ATOM 2640 H1 TIP3 1790 -18.464 16.355 -23.048 0.00 0.00 WT0 H +ATOM 2641 H2 TIP3 1790 -17.814 16.755 -24.358 0.00 0.00 WT0 H +ATOM 2642 OH2 TIP3 1794 0.413 17.701 21.398 0.00 0.00 WT0 O +ATOM 2643 H1 TIP3 1794 0.823 17.191 20.698 0.00 0.00 WT0 H +ATOM 2644 H2 TIP3 1794 0.593 18.611 21.158 0.00 0.00 WT0 H +ATOM 2645 OH2 TIP3 1795 16.367 -18.175 6.120 0.00 0.00 WT0 O +ATOM 2646 H1 TIP3 1795 16.627 -17.415 6.640 0.00 0.00 WT0 H +ATOM 2647 H2 TIP3 1795 16.747 -18.925 6.580 0.00 0.00 WT0 H +ATOM 2648 OH2 TIP3 1796 -9.997 -21.929 -8.169 0.00 0.00 WT0 O +ATOM 2649 H1 TIP3 1796 -9.787 -21.459 -7.359 0.00 0.00 WT0 H +ATOM 2650 H2 TIP3 1796 -9.277 -22.559 -8.269 0.00 0.00 WT0 H +ATOM 2651 OH2 TIP3 1798 10.520 -3.719 21.846 0.00 0.00 WT0 O +ATOM 2652 H1 TIP3 1798 10.240 -3.299 22.666 0.00 0.00 WT0 H +ATOM 2653 H2 TIP3 1798 10.490 -3.029 21.196 0.00 0.00 WT0 H +ATOM 2654 OH2 TIP3 1805 -6.881 -16.303 16.698 0.00 0.00 WT0 O +ATOM 2655 H1 TIP3 1805 -6.481 -15.433 16.628 0.00 0.00 WT0 H +ATOM 2656 H2 TIP3 1805 -7.781 -16.123 16.948 0.00 0.00 WT0 H +ATOM 2657 OH2 TIP3 1808 16.064 -24.217 -11.370 0.00 0.00 WT0 O +ATOM 2658 H1 TIP3 1808 16.984 -24.067 -11.170 0.00 0.00 WT0 H +ATOM 2659 H2 TIP3 1808 15.944 -23.887 -12.260 0.00 0.00 WT0 H +ATOM 2660 OH2 TIP3 1810 -2.330 -0.266 -4.708 0.00 0.00 WT0 O +ATOM 2661 H1 TIP3 1810 -2.990 0.114 -5.288 0.00 0.00 WT0 H +ATOM 2662 H2 TIP3 1810 -1.590 -0.466 -5.278 0.00 0.00 WT0 H +ATOM 2663 OH2 TIP3 1811 -19.450 15.876 -13.214 0.00 0.00 WT0 O +ATOM 2664 H1 TIP3 1811 -19.080 16.726 -12.974 0.00 0.00 WT0 H +ATOM 2665 H2 TIP3 1811 -19.760 15.996 -14.114 0.00 0.00 WT0 H +ATOM 2666 OH2 TIP3 1812 -11.693 -1.797 3.151 0.00 0.00 WT0 O +ATOM 2667 H1 TIP3 1812 -11.763 -2.417 2.431 0.00 0.00 WT0 H +ATOM 2668 H2 TIP3 1812 -10.783 -1.497 3.121 0.00 0.00 WT0 H +ATOM 2669 OH2 TIP3 1813 -10.582 -3.395 -12.458 0.00 0.00 WT0 O +ATOM 2670 H1 TIP3 1813 -11.122 -3.445 -11.668 0.00 0.00 WT0 H +ATOM 2671 H2 TIP3 1813 -9.772 -2.975 -12.168 0.00 0.00 WT0 H +ATOM 2672 OH2 TIP3 1814 23.475 2.367 8.177 0.00 0.00 WT0 O +ATOM 2673 H1 TIP3 1814 23.925 1.787 7.557 0.00 0.00 WT0 H +ATOM 2674 H2 TIP3 1814 24.125 2.507 8.867 0.00 0.00 WT0 H +ATOM 2675 OH2 TIP3 1815 18.403 4.872 22.189 0.00 0.00 WT0 O +ATOM 2676 H1 TIP3 1815 17.913 5.422 22.809 0.00 0.00 WT0 H +ATOM 2677 H2 TIP3 1815 19.323 5.082 22.359 0.00 0.00 WT0 H +ATOM 2678 OH2 TIP3 1817 -3.922 -16.101 -10.141 0.00 0.00 WT0 O +ATOM 2679 H1 TIP3 1817 -4.762 -16.551 -10.211 0.00 0.00 WT0 H +ATOM 2680 H2 TIP3 1817 -3.312 -16.781 -9.871 0.00 0.00 WT0 H +ATOM 2681 OH2 TIP3 1818 -24.531 2.123 22.616 0.00 0.00 WT0 O +ATOM 2682 H1 TIP3 1818 -25.171 2.823 22.476 0.00 0.00 WT0 H +ATOM 2683 H2 TIP3 1818 -23.911 2.483 23.246 0.00 0.00 WT0 H +ATOM 2684 OH2 TIP3 1819 12.248 -3.516 12.649 0.00 0.00 WT0 O +ATOM 2685 H1 TIP3 1819 11.948 -4.256 12.129 0.00 0.00 WT0 H +ATOM 2686 H2 TIP3 1819 11.928 -2.746 12.169 0.00 0.00 WT0 H +ATOM 2687 OH2 TIP3 1820 6.376 -20.776 5.065 0.00 0.00 WT0 O +ATOM 2688 H1 TIP3 1820 7.266 -21.036 5.295 0.00 0.00 WT0 H +ATOM 2689 H2 TIP3 1820 5.866 -20.926 5.865 0.00 0.00 WT0 H +ATOM 2690 OH2 TIP3 1821 -14.243 8.061 23.295 0.00 0.00 WT0 O +ATOM 2691 H1 TIP3 1821 -13.463 7.751 23.745 0.00 0.00 WT0 H +ATOM 2692 H2 TIP3 1821 -13.933 8.341 22.425 0.00 0.00 WT0 H +ATOM 2693 OH2 TIP3 1824 12.474 0.251 -18.446 0.00 0.00 WT0 O +ATOM 2694 H1 TIP3 1824 12.734 -0.559 -18.866 0.00 0.00 WT0 H +ATOM 2695 H2 TIP3 1824 13.064 0.921 -18.786 0.00 0.00 WT0 H +ATOM 2696 OH2 TIP3 1825 1.951 6.535 1.283 0.00 0.00 WT0 O +ATOM 2697 H1 TIP3 1825 2.261 6.305 0.403 0.00 0.00 WT0 H +ATOM 2698 H2 TIP3 1825 2.591 6.125 1.873 0.00 0.00 WT0 H +ATOM 2699 OH2 TIP3 1829 -18.173 -4.394 -6.528 0.00 0.00 WT0 O +ATOM 2700 H1 TIP3 1829 -17.753 -4.334 -5.668 0.00 0.00 WT0 H +ATOM 2701 H2 TIP3 1829 -18.863 -5.044 -6.418 0.00 0.00 WT0 H +ATOM 2702 OH2 TIP3 1830 17.326 23.490 -15.211 0.00 0.00 WT0 O +ATOM 2703 H1 TIP3 1830 16.616 23.380 -14.571 0.00 0.00 WT0 H +ATOM 2704 H2 TIP3 1830 17.746 22.630 -15.241 0.00 0.00 WT0 H +ATOM 2705 OH2 TIP3 1831 -10.504 -16.895 -22.395 0.00 0.00 WT0 O +ATOM 2706 H1 TIP3 1831 -9.564 -16.855 -22.205 0.00 0.00 WT0 H +ATOM 2707 H2 TIP3 1831 -10.744 -15.995 -22.625 0.00 0.00 WT0 H +ATOM 2708 OH2 TIP3 1832 1.185 -14.451 -0.499 0.00 0.00 WT0 O +ATOM 2709 H1 TIP3 1832 1.385 -14.641 0.421 0.00 0.00 WT0 H +ATOM 2710 H2 TIP3 1832 0.325 -14.041 -0.469 0.00 0.00 WT0 H +ATOM 2711 OH2 TIP3 1833 -3.114 -9.764 -19.271 0.00 0.00 WT0 O +ATOM 2712 H1 TIP3 1833 -3.204 -9.224 -20.061 0.00 0.00 WT0 H +ATOM 2713 H2 TIP3 1833 -2.414 -10.384 -19.491 0.00 0.00 WT0 H +ATOM 2714 OH2 TIP3 1835 -9.486 16.660 3.307 0.00 0.00 WT0 O +ATOM 2715 H1 TIP3 1835 -10.246 16.200 2.947 0.00 0.00 WT0 H +ATOM 2716 H2 TIP3 1835 -9.086 17.080 2.547 0.00 0.00 WT0 H +ATOM 2717 OH2 TIP3 1836 11.949 17.575 16.076 0.00 0.00 WT0 O +ATOM 2718 H1 TIP3 1836 11.019 17.405 16.206 0.00 0.00 WT0 H +ATOM 2719 H2 TIP3 1836 12.039 18.525 16.166 0.00 0.00 WT0 H +ATOM 2720 OH2 TIP3 1837 11.975 -6.463 -2.328 0.00 0.00 WT0 O +ATOM 2721 H1 TIP3 1837 12.085 -7.413 -2.318 0.00 0.00 WT0 H +ATOM 2722 H2 TIP3 1837 11.405 -6.283 -1.578 0.00 0.00 WT0 H +ATOM 2723 OH2 TIP3 1838 -2.745 -0.222 -24.771 0.00 0.00 WT0 O +ATOM 2724 H1 TIP3 1838 -2.825 0.528 -25.371 0.00 0.00 WT0 H +ATOM 2725 H2 TIP3 1838 -3.645 -0.522 -24.651 0.00 0.00 WT0 H +ATOM 2726 OH2 TIP3 1839 -8.952 -19.609 16.549 0.00 0.00 WT0 O +ATOM 2727 H1 TIP3 1839 -9.662 -20.239 16.679 0.00 0.00 WT0 H +ATOM 2728 H2 TIP3 1839 -9.332 -18.769 16.799 0.00 0.00 WT0 H +ATOM 2729 OH2 TIP3 1840 -24.032 -21.747 -6.363 0.00 0.00 WT0 O +ATOM 2730 H1 TIP3 1840 -23.932 -22.657 -6.673 0.00 0.00 WT0 H +ATOM 2731 H2 TIP3 1840 -23.502 -21.237 -6.973 0.00 0.00 WT0 H +ATOM 2732 OH2 TIP3 1841 -1.703 5.761 11.702 0.00 0.00 WT0 O +ATOM 2733 H1 TIP3 1841 -1.643 6.301 12.492 0.00 0.00 WT0 H +ATOM 2734 H2 TIP3 1841 -1.563 4.861 12.012 0.00 0.00 WT0 H +ATOM 2735 OH2 TIP3 1842 8.123 0.857 -20.622 0.00 0.00 WT0 O +ATOM 2736 H1 TIP3 1842 7.693 0.797 -21.482 0.00 0.00 WT0 H +ATOM 2737 H2 TIP3 1842 8.913 0.337 -20.722 0.00 0.00 WT0 H +ATOM 2738 OH2 TIP3 1844 7.121 -10.075 0.289 0.00 0.00 WT0 O +ATOM 2739 H1 TIP3 1844 7.721 -10.825 0.239 0.00 0.00 WT0 H +ATOM 2740 H2 TIP3 1844 6.831 -10.055 1.199 0.00 0.00 WT0 H +ATOM 2741 OH2 TIP3 1847 -1.135 -15.319 -22.863 0.00 0.00 WT0 O +ATOM 2742 H1 TIP3 1847 -2.005 -15.719 -22.883 0.00 0.00 WT0 H +ATOM 2743 H2 TIP3 1847 -1.135 -14.709 -23.603 0.00 0.00 WT0 H +ATOM 2744 OH2 TIP3 1850 -6.786 4.970 23.829 0.00 0.00 WT0 O +ATOM 2745 H1 TIP3 1850 -5.836 4.930 23.719 0.00 0.00 WT0 H +ATOM 2746 H2 TIP3 1850 -7.106 5.310 22.999 0.00 0.00 WT0 H +ATOM 2747 OH2 TIP3 1851 -3.476 10.101 13.929 0.00 0.00 WT0 O +ATOM 2748 H1 TIP3 1851 -3.046 10.721 13.339 0.00 0.00 WT0 H +ATOM 2749 H2 TIP3 1851 -2.886 10.041 14.679 0.00 0.00 WT0 H +ATOM 2750 OH2 TIP3 1852 -1.943 23.875 19.068 0.00 0.00 WT0 O +ATOM 2751 H1 TIP3 1852 -1.273 23.455 19.608 0.00 0.00 WT0 H +ATOM 2752 H2 TIP3 1852 -2.773 23.605 19.468 0.00 0.00 WT0 H +ATOM 2753 OH2 TIP3 1853 -4.145 -21.758 -13.034 0.00 0.00 WT0 O +ATOM 2754 H1 TIP3 1853 -3.705 -22.558 -12.734 0.00 0.00 WT0 H +ATOM 2755 H2 TIP3 1853 -3.575 -21.428 -13.734 0.00 0.00 WT0 H +ATOM 2756 OH2 TIP3 1854 20.310 13.540 -8.431 0.00 0.00 WT0 O +ATOM 2757 H1 TIP3 1854 19.940 13.070 -7.681 0.00 0.00 WT0 H +ATOM 2758 H2 TIP3 1854 20.330 14.450 -8.151 0.00 0.00 WT0 H +ATOM 2759 OH2 TIP3 1856 20.384 5.198 -9.811 0.00 0.00 WT0 O +ATOM 2760 H1 TIP3 1856 21.304 5.178 -10.081 0.00 0.00 WT0 H +ATOM 2761 H2 TIP3 1856 20.184 6.118 -9.691 0.00 0.00 WT0 H +ATOM 2762 OH2 TIP3 1857 5.285 -21.077 11.655 0.00 0.00 WT0 O +ATOM 2763 H1 TIP3 1857 5.845 -20.917 12.415 0.00 0.00 WT0 H +ATOM 2764 H2 TIP3 1857 5.775 -21.677 11.105 0.00 0.00 WT0 H +ATOM 2765 OH2 TIP3 1858 24.860 -10.216 -18.821 0.00 0.00 WT0 O +ATOM 2766 H1 TIP3 1858 24.100 -9.696 -19.121 0.00 0.00 WT0 H +ATOM 2767 H2 TIP3 1858 24.980 -10.876 -19.511 0.00 0.00 WT0 H +ATOM 2768 OH2 TIP3 1859 13.045 22.142 -16.201 0.00 0.00 WT0 O +ATOM 2769 H1 TIP3 1859 12.205 22.572 -16.361 0.00 0.00 WT0 H +ATOM 2770 H2 TIP3 1859 13.345 22.502 -15.361 0.00 0.00 WT0 H +ATOM 2771 OH2 TIP3 1860 15.195 10.206 15.634 0.00 0.00 WT0 O +ATOM 2772 H1 TIP3 1860 14.405 9.676 15.594 0.00 0.00 WT0 H +ATOM 2773 H2 TIP3 1860 15.585 10.126 14.764 0.00 0.00 WT0 H +ATOM 2774 OH2 TIP3 1862 -20.525 13.491 13.462 0.00 0.00 WT0 O +ATOM 2775 H1 TIP3 1862 -20.285 12.581 13.632 0.00 0.00 WT0 H +ATOM 2776 H2 TIP3 1862 -21.395 13.591 13.862 0.00 0.00 WT0 H +ATOM 2777 OH2 TIP3 1863 -23.466 -3.940 -10.850 0.00 0.00 WT0 O +ATOM 2778 H1 TIP3 1863 -23.666 -3.340 -11.570 0.00 0.00 WT0 H +ATOM 2779 H2 TIP3 1863 -23.176 -4.740 -11.290 0.00 0.00 WT0 H +ATOM 2780 OH2 TIP3 1864 -20.005 -2.635 -14.925 0.00 0.00 WT0 O +ATOM 2781 H1 TIP3 1864 -19.585 -2.005 -14.345 0.00 0.00 WT0 H +ATOM 2782 H2 TIP3 1864 -20.575 -3.155 -14.355 0.00 0.00 WT0 H +ATOM 2783 OH2 TIP3 1866 16.804 17.369 8.592 0.00 0.00 WT0 O +ATOM 2784 H1 TIP3 1866 17.364 17.779 7.942 0.00 0.00 WT0 H +ATOM 2785 H2 TIP3 1866 17.184 17.629 9.432 0.00 0.00 WT0 H +ATOM 2786 OH2 TIP3 1870 -13.955 -22.377 -0.538 0.00 0.00 WT0 O +ATOM 2787 H1 TIP3 1870 -14.685 -22.467 0.072 0.00 0.00 WT0 H +ATOM 2788 H2 TIP3 1870 -14.225 -21.697 -1.148 0.00 0.00 WT0 H +ATOM 2789 OH2 TIP3 1871 7.333 23.933 -21.333 0.00 0.00 WT0 O +ATOM 2790 H1 TIP3 1871 7.133 23.603 -20.463 0.00 0.00 WT0 H +ATOM 2791 H2 TIP3 1871 7.203 24.873 -21.273 0.00 0.00 WT0 H +ATOM 2792 OH2 TIP3 1872 -11.972 -17.022 -2.101 0.00 0.00 WT0 O +ATOM 2793 H1 TIP3 1872 -12.472 -17.432 -2.801 0.00 0.00 WT0 H +ATOM 2794 H2 TIP3 1872 -11.132 -16.802 -2.501 0.00 0.00 WT0 H +ATOM 2795 OH2 TIP3 1873 5.909 13.487 15.000 0.00 0.00 WT0 O +ATOM 2796 H1 TIP3 1873 5.639 12.907 15.720 0.00 0.00 WT0 H +ATOM 2797 H2 TIP3 1873 6.809 13.737 15.230 0.00 0.00 WT0 H +ATOM 2798 OH2 TIP3 1874 -9.061 13.329 3.475 0.00 0.00 WT0 O +ATOM 2799 H1 TIP3 1874 -9.781 13.789 3.045 0.00 0.00 WT0 H +ATOM 2800 H2 TIP3 1874 -8.331 13.959 3.455 0.00 0.00 WT0 H +ATOM 2801 OH2 TIP3 1875 -2.757 -19.585 17.672 0.00 0.00 WT0 O +ATOM 2802 H1 TIP3 1875 -1.877 -19.845 17.402 0.00 0.00 WT0 H +ATOM 2803 H2 TIP3 1875 -2.657 -19.285 18.572 0.00 0.00 WT0 H +ATOM 2804 OH2 TIP3 1876 -18.212 -17.368 -15.885 0.00 0.00 WT0 O +ATOM 2805 H1 TIP3 1876 -18.492 -18.078 -15.305 0.00 0.00 WT0 H +ATOM 2806 H2 TIP3 1876 -17.782 -16.738 -15.295 0.00 0.00 WT0 H +ATOM 2807 OH2 TIP3 1878 2.034 5.670 20.037 0.00 0.00 WT0 O +ATOM 2808 H1 TIP3 1878 1.234 5.870 19.567 0.00 0.00 WT0 H +ATOM 2809 H2 TIP3 1878 1.764 5.560 20.947 0.00 0.00 WT0 H +ATOM 2810 OH2 TIP3 1879 -8.369 -22.007 2.631 0.00 0.00 WT0 O +ATOM 2811 H1 TIP3 1879 -8.319 -22.317 3.531 0.00 0.00 WT0 H +ATOM 2812 H2 TIP3 1879 -7.679 -21.347 2.561 0.00 0.00 WT0 H +ATOM 2813 OH2 TIP3 1880 16.296 -13.345 -16.660 0.00 0.00 WT0 O +ATOM 2814 H1 TIP3 1880 16.846 -12.685 -16.240 0.00 0.00 WT0 H +ATOM 2815 H2 TIP3 1880 16.906 -13.985 -17.030 0.00 0.00 WT0 H +ATOM 2816 OH2 TIP3 1881 -7.506 16.207 -1.836 0.00 0.00 WT0 O +ATOM 2817 H1 TIP3 1881 -8.076 16.947 -2.046 0.00 0.00 WT0 H +ATOM 2818 H2 TIP3 1881 -6.776 16.297 -2.446 0.00 0.00 WT0 H +ATOM 2819 OH2 TIP3 1882 -22.325 -5.610 11.361 0.00 0.00 WT0 O +ATOM 2820 H1 TIP3 1882 -22.865 -5.970 10.661 0.00 0.00 WT0 H +ATOM 2821 H2 TIP3 1882 -22.945 -5.280 12.001 0.00 0.00 WT0 H +ATOM 2822 OH2 TIP3 1883 -13.553 1.441 -6.816 0.00 0.00 WT0 O +ATOM 2823 H1 TIP3 1883 -13.393 0.871 -6.056 0.00 0.00 WT0 H +ATOM 2824 H2 TIP3 1883 -13.183 2.281 -6.566 0.00 0.00 WT0 H +ATOM 2825 OH2 TIP3 1885 -8.512 6.551 18.331 0.00 0.00 WT0 O +ATOM 2826 H1 TIP3 1885 -9.272 6.821 17.821 0.00 0.00 WT0 H +ATOM 2827 H2 TIP3 1885 -8.362 5.651 18.081 0.00 0.00 WT0 H +ATOM 2828 OH2 TIP3 1888 -9.219 6.298 -20.214 0.00 0.00 WT0 O +ATOM 2829 H1 TIP3 1888 -8.289 6.528 -20.184 0.00 0.00 WT0 H +ATOM 2830 H2 TIP3 1888 -9.299 5.588 -19.584 0.00 0.00 WT0 H +ATOM 2831 OH2 TIP3 1891 -22.160 -15.213 -13.693 0.00 0.00 WT0 O +ATOM 2832 H1 TIP3 1891 -22.000 -14.323 -13.393 0.00 0.00 WT0 H +ATOM 2833 H2 TIP3 1891 -22.020 -15.173 -14.643 0.00 0.00 WT0 H +ATOM 2834 OH2 TIP3 1892 -19.629 8.112 7.302 0.00 0.00 WT0 O +ATOM 2835 H1 TIP3 1892 -19.279 8.722 6.642 0.00 0.00 WT0 H +ATOM 2836 H2 TIP3 1892 -20.519 8.422 7.462 0.00 0.00 WT0 H +ATOM 2837 OH2 TIP3 1894 -6.615 -13.932 -9.141 0.00 0.00 WT0 O +ATOM 2838 H1 TIP3 1894 -5.795 -14.292 -9.481 0.00 0.00 WT0 H +ATOM 2839 H2 TIP3 1894 -6.405 -13.032 -8.881 0.00 0.00 WT0 H +ATOM 2840 OH2 TIP3 1896 -1.709 -19.768 -13.584 0.00 0.00 WT0 O +ATOM 2841 H1 TIP3 1896 -0.989 -19.378 -13.094 0.00 0.00 WT0 H +ATOM 2842 H2 TIP3 1896 -1.399 -19.798 -14.484 0.00 0.00 WT0 H +ATOM 2843 OH2 TIP3 1897 21.838 25.387 -21.728 0.00 0.00 WT0 O +ATOM 2844 H1 TIP3 1897 21.128 25.767 -21.228 0.00 0.00 WT0 H +ATOM 2845 H2 TIP3 1897 21.498 24.557 -22.048 0.00 0.00 WT0 H +ATOM 2846 OH2 TIP3 1898 -17.471 23.449 19.086 0.00 0.00 WT0 O +ATOM 2847 H1 TIP3 1898 -16.651 23.149 18.696 0.00 0.00 WT0 H +ATOM 2848 H2 TIP3 1898 -17.851 24.029 18.416 0.00 0.00 WT0 H +ATOM 2849 OH2 TIP3 1899 13.983 12.898 -5.317 0.00 0.00 WT0 O +ATOM 2850 H1 TIP3 1899 13.243 12.418 -5.687 0.00 0.00 WT0 H +ATOM 2851 H2 TIP3 1899 14.303 12.338 -4.607 0.00 0.00 WT0 H +ATOM 2852 OH2 TIP3 1900 -8.269 -15.081 10.704 0.00 0.00 WT0 O +ATOM 2853 H1 TIP3 1900 -7.519 -15.501 11.124 0.00 0.00 WT0 H +ATOM 2854 H2 TIP3 1900 -8.939 -15.061 11.394 0.00 0.00 WT0 H +ATOM 2855 OH2 TIP3 1901 -4.285 -24.819 1.997 0.00 0.00 WT0 O +ATOM 2856 H1 TIP3 1901 -5.105 -24.349 1.907 0.00 0.00 WT0 H +ATOM 2857 H2 TIP3 1901 -3.625 -24.209 1.667 0.00 0.00 WT0 H +ATOM 2858 OH2 TIP3 1902 1.191 -20.387 -13.975 0.00 0.00 WT0 O +ATOM 2859 H1 TIP3 1902 1.301 -19.507 -14.355 0.00 0.00 WT0 H +ATOM 2860 H2 TIP3 1902 1.621 -20.327 -13.115 0.00 0.00 WT0 H +ATOM 2861 OH2 TIP3 1904 -24.267 15.090 2.372 0.00 0.00 WT0 O +ATOM 2862 H1 TIP3 1904 -23.457 15.230 2.852 0.00 0.00 WT0 H +ATOM 2863 H2 TIP3 1904 -24.307 14.140 2.242 0.00 0.00 WT0 H +ATOM 2864 OH2 TIP3 1906 -14.497 23.947 -3.414 0.00 0.00 WT0 O +ATOM 2865 H1 TIP3 1906 -15.017 24.497 -4.004 0.00 0.00 WT0 H +ATOM 2866 H2 TIP3 1906 -14.497 24.427 -2.584 0.00 0.00 WT0 H +ATOM 2867 OH2 TIP3 1907 -2.442 -23.890 -17.020 0.00 0.00 WT0 O +ATOM 2868 H1 TIP3 1907 -1.712 -23.530 -16.510 0.00 0.00 WT0 H +ATOM 2869 H2 TIP3 1907 -3.012 -24.290 -16.360 0.00 0.00 WT0 H +ATOM 2870 OH2 TIP3 1909 15.124 -24.026 0.011 0.00 0.00 WT0 O +ATOM 2871 H1 TIP3 1909 14.274 -24.346 0.311 0.00 0.00 WT0 H +ATOM 2872 H2 TIP3 1909 15.674 -24.036 0.791 0.00 0.00 WT0 H +ATOM 2873 OH2 TIP3 1911 -21.899 16.780 4.560 0.00 0.00 WT0 O +ATOM 2874 H1 TIP3 1911 -21.769 17.620 4.110 0.00 0.00 WT0 H +ATOM 2875 H2 TIP3 1911 -21.809 16.990 5.490 0.00 0.00 WT0 H +ATOM 2876 OH2 TIP3 1912 2.816 11.492 -24.241 0.00 0.00 WT0 O +ATOM 2877 H1 TIP3 1912 2.176 12.172 -24.451 0.00 0.00 WT0 H +ATOM 2878 H2 TIP3 1912 2.946 11.022 -25.061 0.00 0.00 WT0 H +ATOM 2879 OH2 TIP3 1913 -20.105 19.805 -14.873 0.00 0.00 WT0 O +ATOM 2880 H1 TIP3 1913 -19.365 20.335 -14.583 0.00 0.00 WT0 H +ATOM 2881 H2 TIP3 1913 -19.715 19.165 -15.483 0.00 0.00 WT0 H +ATOM 2882 OH2 TIP3 1914 -11.736 -4.672 -21.811 0.00 0.00 WT0 O +ATOM 2883 H1 TIP3 1914 -12.186 -3.822 -21.821 0.00 0.00 WT0 H +ATOM 2884 H2 TIP3 1914 -10.906 -4.492 -21.361 0.00 0.00 WT0 H +ATOM 2885 OH2 TIP3 1915 -4.627 17.899 -6.623 0.00 0.00 WT0 O +ATOM 2886 H1 TIP3 1915 -5.197 18.609 -6.923 0.00 0.00 WT0 H +ATOM 2887 H2 TIP3 1915 -3.757 18.159 -6.913 0.00 0.00 WT0 H +ATOM 2888 OH2 TIP3 1916 24.748 4.802 13.101 0.00 0.00 WT0 O +ATOM 2889 H1 TIP3 1916 24.208 5.382 13.651 0.00 0.00 WT0 H +ATOM 2890 H2 TIP3 1916 24.128 4.172 12.731 0.00 0.00 WT0 H +ATOM 2891 OH2 TIP3 1918 -8.409 -15.020 20.621 0.00 0.00 WT0 O +ATOM 2892 H1 TIP3 1918 -8.289 -14.930 19.671 0.00 0.00 WT0 H +ATOM 2893 H2 TIP3 1918 -7.549 -14.840 21.001 0.00 0.00 WT0 H +ATOM 2894 OH2 TIP3 1920 5.157 -20.624 22.272 0.00 0.00 WT0 O +ATOM 2895 H1 TIP3 1920 4.557 -19.914 22.492 0.00 0.00 WT0 H +ATOM 2896 H2 TIP3 1920 4.587 -21.384 22.142 0.00 0.00 WT0 H +ATOM 2897 OH2 TIP3 1921 13.671 -8.233 10.811 0.00 0.00 WT0 O +ATOM 2898 H1 TIP3 1921 14.601 -8.083 10.691 0.00 0.00 WT0 H +ATOM 2899 H2 TIP3 1921 13.461 -8.943 10.201 0.00 0.00 WT0 H +ATOM 2900 OH2 TIP3 1922 -24.522 -6.913 8.321 0.00 0.00 WT0 O +ATOM 2901 H1 TIP3 1922 -24.732 -6.583 7.451 0.00 0.00 WT0 H +ATOM 2902 H2 TIP3 1922 -23.632 -6.603 8.491 0.00 0.00 WT0 H +ATOM 2903 OH2 TIP3 1923 1.161 -9.900 -24.695 0.00 0.00 WT0 O +ATOM 2904 H1 TIP3 1923 0.511 -9.230 -24.915 0.00 0.00 WT0 H +ATOM 2905 H2 TIP3 1923 1.591 -9.560 -23.905 0.00 0.00 WT0 H +ATOM 2906 OH2 TIP3 1924 19.096 19.830 -0.578 0.00 0.00 WT0 O +ATOM 2907 H1 TIP3 1924 19.516 19.210 0.022 0.00 0.00 WT0 H +ATOM 2908 H2 TIP3 1924 18.866 20.580 -0.028 0.00 0.00 WT0 H +ATOM 2909 OH2 TIP3 1925 -1.113 -21.735 -21.354 0.00 0.00 WT0 O +ATOM 2910 H1 TIP3 1925 -1.023 -21.655 -22.304 0.00 0.00 WT0 H +ATOM 2911 H2 TIP3 1925 -1.183 -22.685 -21.204 0.00 0.00 WT0 H +ATOM 2912 OH2 TIP3 1926 18.005 1.775 10.076 0.00 0.00 WT0 O +ATOM 2913 H1 TIP3 1926 18.605 1.285 9.516 0.00 0.00 WT0 H +ATOM 2914 H2 TIP3 1926 18.565 2.205 10.726 0.00 0.00 WT0 H +ATOM 2915 OH2 TIP3 1934 -16.299 -13.826 23.696 0.00 0.00 WT0 O +ATOM 2916 H1 TIP3 1934 -15.889 -14.676 23.496 0.00 0.00 WT0 H +ATOM 2917 H2 TIP3 1934 -15.999 -13.636 24.586 0.00 0.00 WT0 H +ATOM 2918 OH2 TIP3 1935 16.828 -5.360 6.221 0.00 0.00 WT0 O +ATOM 2919 H1 TIP3 1935 16.598 -5.850 7.011 0.00 0.00 WT0 H +ATOM 2920 H2 TIP3 1935 17.068 -6.030 5.581 0.00 0.00 WT0 H +ATOM 2921 OH2 TIP3 1936 1.324 13.380 -11.369 0.00 0.00 WT0 O +ATOM 2922 H1 TIP3 1936 1.024 14.210 -11.729 0.00 0.00 WT0 H +ATOM 2923 H2 TIP3 1936 2.264 13.510 -11.229 0.00 0.00 WT0 H +ATOM 2924 OH2 TIP3 1937 -22.449 16.022 -17.971 0.00 0.00 WT0 O +ATOM 2925 H1 TIP3 1937 -21.589 16.422 -18.081 0.00 0.00 WT0 H +ATOM 2926 H2 TIP3 1937 -22.929 16.622 -17.401 0.00 0.00 WT0 H +ATOM 2927 OH2 TIP3 1938 -22.466 -0.613 7.647 0.00 0.00 WT0 O +ATOM 2928 H1 TIP3 1938 -21.886 -0.313 6.937 0.00 0.00 WT0 H +ATOM 2929 H2 TIP3 1938 -21.956 -1.303 8.087 0.00 0.00 WT0 H +ATOM 2930 OH2 TIP3 1939 -6.635 -20.005 -12.988 0.00 0.00 WT0 O +ATOM 2931 H1 TIP3 1939 -5.945 -20.605 -13.278 0.00 0.00 WT0 H +ATOM 2932 H2 TIP3 1939 -6.705 -19.355 -13.688 0.00 0.00 WT0 H +ATOM 2933 OH2 TIP3 1940 -7.434 -20.070 -22.735 0.00 0.00 WT0 O +ATOM 2934 H1 TIP3 1940 -7.704 -19.200 -23.015 0.00 0.00 WT0 H +ATOM 2935 H2 TIP3 1940 -6.944 -20.430 -23.475 0.00 0.00 WT0 H +ATOM 2936 OH2 TIP3 1942 -2.055 -10.941 12.384 0.00 0.00 WT0 O +ATOM 2937 H1 TIP3 1942 -1.305 -10.371 12.554 0.00 0.00 WT0 H +ATOM 2938 H2 TIP3 1942 -1.785 -11.801 12.704 0.00 0.00 WT0 H +ATOM 2939 OH2 TIP3 1944 -12.259 -21.395 -19.478 0.00 0.00 WT0 O +ATOM 2940 H1 TIP3 1944 -12.289 -20.475 -19.228 0.00 0.00 WT0 H +ATOM 2941 H2 TIP3 1944 -12.529 -21.865 -18.678 0.00 0.00 WT0 H +ATOM 2942 OH2 TIP3 1945 -14.274 13.038 -23.005 0.00 0.00 WT0 O +ATOM 2943 H1 TIP3 1945 -13.824 12.228 -23.225 0.00 0.00 WT0 H +ATOM 2944 H2 TIP3 1945 -14.094 13.628 -23.735 0.00 0.00 WT0 H +ATOM 2945 OH2 TIP3 1946 -20.655 18.098 -24.950 0.00 0.00 WT0 O +ATOM 2946 H1 TIP3 1946 -20.965 18.558 -24.170 0.00 0.00 WT0 H +ATOM 2947 H2 TIP3 1946 -19.965 17.518 -24.640 0.00 0.00 WT0 H +ATOM 2948 OH2 TIP3 1947 -0.375 -21.465 4.566 0.00 0.00 WT0 O +ATOM 2949 H1 TIP3 1947 -0.915 -22.215 4.836 0.00 0.00 WT0 H +ATOM 2950 H2 TIP3 1947 0.415 -21.865 4.216 0.00 0.00 WT0 H +ATOM 2951 OH2 TIP3 1948 13.997 3.422 3.599 0.00 0.00 WT0 O +ATOM 2952 H1 TIP3 1948 14.357 3.522 2.719 0.00 0.00 WT0 H +ATOM 2953 H2 TIP3 1948 14.757 3.322 4.159 0.00 0.00 WT0 H +ATOM 2954 OH2 TIP3 1949 11.120 -17.221 -9.455 0.00 0.00 WT0 O +ATOM 2955 H1 TIP3 1949 10.640 -18.041 -9.495 0.00 0.00 WT0 H +ATOM 2956 H2 TIP3 1949 12.040 -17.481 -9.385 0.00 0.00 WT0 H +ATOM 2957 OH2 TIP3 1950 4.303 -17.102 -10.637 0.00 0.00 WT0 O +ATOM 2958 H1 TIP3 1950 5.043 -17.102 -11.247 0.00 0.00 WT0 H +ATOM 2959 H2 TIP3 1950 4.443 -16.312 -10.107 0.00 0.00 WT0 H +ATOM 2960 OH2 TIP3 1952 -1.096 9.381 -10.948 0.00 0.00 WT0 O +ATOM 2961 H1 TIP3 1952 -0.336 9.121 -11.468 0.00 0.00 WT0 H +ATOM 2962 H2 TIP3 1952 -0.876 9.141 -10.048 0.00 0.00 WT0 H +ATOM 2963 OH2 TIP3 1953 -1.529 -2.790 -24.295 0.00 0.00 WT0 O +ATOM 2964 H1 TIP3 1953 -1.649 -1.860 -24.485 0.00 0.00 WT0 H +ATOM 2965 H2 TIP3 1953 -0.609 -2.960 -24.495 0.00 0.00 WT0 H +ATOM 2966 OH2 TIP3 1954 -22.314 -10.696 17.811 0.00 0.00 WT0 O +ATOM 2967 H1 TIP3 1954 -22.814 -10.226 17.141 0.00 0.00 WT0 H +ATOM 2968 H2 TIP3 1954 -21.834 -10.006 18.271 0.00 0.00 WT0 H +ATOM 2969 OH2 TIP3 1955 -11.965 -0.910 -12.491 0.00 0.00 WT0 O +ATOM 2970 H1 TIP3 1955 -12.545 -1.160 -11.771 0.00 0.00 WT0 H +ATOM 2971 H2 TIP3 1955 -11.515 -1.730 -12.721 0.00 0.00 WT0 H +ATOM 2972 OH2 TIP3 1960 11.427 6.427 -7.609 0.00 0.00 WT0 O +ATOM 2973 H1 TIP3 1960 10.517 6.507 -7.309 0.00 0.00 WT0 H +ATOM 2974 H2 TIP3 1960 11.827 7.257 -7.369 0.00 0.00 WT0 H +ATOM 2975 OH2 TIP3 1963 9.230 15.765 17.262 0.00 0.00 WT0 O +ATOM 2976 H1 TIP3 1963 8.790 16.405 16.702 0.00 0.00 WT0 H +ATOM 2977 H2 TIP3 1963 9.870 15.345 16.692 0.00 0.00 WT0 H +ATOM 2978 OH2 TIP3 1964 -23.662 7.983 18.415 0.00 0.00 WT0 O +ATOM 2979 H1 TIP3 1964 -22.872 8.063 18.945 0.00 0.00 WT0 H +ATOM 2980 H2 TIP3 1964 -23.362 7.513 17.625 0.00 0.00 WT0 H +ATOM 2981 OH2 TIP3 1965 14.545 -11.927 -23.023 0.00 0.00 WT0 O +ATOM 2982 H1 TIP3 1965 14.175 -12.807 -22.933 0.00 0.00 WT0 H +ATOM 2983 H2 TIP3 1965 14.655 -11.807 -23.963 0.00 0.00 WT0 H +ATOM 2984 OH2 TIP3 1966 -19.069 -4.671 -1.417 0.00 0.00 WT0 O +ATOM 2985 H1 TIP3 1966 -19.669 -4.151 -0.887 0.00 0.00 WT0 H +ATOM 2986 H2 TIP3 1966 -18.959 -5.491 -0.917 0.00 0.00 WT0 H +ATOM 2987 OH2 TIP3 1967 -14.194 22.705 22.742 0.00 0.00 WT0 O +ATOM 2988 H1 TIP3 1967 -14.794 23.445 22.752 0.00 0.00 WT0 H +ATOM 2989 H2 TIP3 1967 -13.884 22.625 23.642 0.00 0.00 WT0 H +ATOM 2990 OH2 TIP3 1968 -9.433 -20.550 8.375 0.00 0.00 WT0 O +ATOM 2991 H1 TIP3 1968 -9.673 -19.850 7.765 0.00 0.00 WT0 H +ATOM 2992 H2 TIP3 1968 -9.033 -20.100 9.115 0.00 0.00 WT0 H +ATOM 2993 OH2 TIP3 1969 -4.066 -9.270 18.620 0.00 0.00 WT0 O +ATOM 2994 H1 TIP3 1969 -3.266 -9.660 18.260 0.00 0.00 WT0 H +ATOM 2995 H2 TIP3 1969 -3.776 -8.790 19.400 0.00 0.00 WT0 H +ATOM 2996 OH2 TIP3 1970 23.013 -6.499 -0.878 0.00 0.00 WT0 O +ATOM 2997 H1 TIP3 1970 23.663 -5.819 -0.698 0.00 0.00 WT0 H +ATOM 2998 H2 TIP3 1970 23.053 -7.079 -0.118 0.00 0.00 WT0 H +ATOM 2999 OH2 TIP3 1976 21.661 0.186 6.097 0.00 0.00 WT0 O +ATOM 3000 H1 TIP3 1976 21.661 -0.324 6.907 0.00 0.00 WT0 H +ATOM 3001 H2 TIP3 1976 20.821 0.656 6.107 0.00 0.00 WT0 H +ATOM 3002 OH2 TIP3 1977 9.823 6.482 13.455 0.00 0.00 WT0 O +ATOM 3003 H1 TIP3 1977 9.403 5.872 14.065 0.00 0.00 WT0 H +ATOM 3004 H2 TIP3 1977 9.303 7.292 13.545 0.00 0.00 WT0 H +ATOM 3005 OH2 TIP3 1978 7.823 -3.272 14.162 0.00 0.00 WT0 O +ATOM 3006 H1 TIP3 1978 7.143 -2.972 14.752 0.00 0.00 WT0 H +ATOM 3007 H2 TIP3 1978 8.353 -3.872 14.692 0.00 0.00 WT0 H +ATOM 3008 OH2 TIP3 1979 -16.907 -16.605 7.151 0.00 0.00 WT0 O +ATOM 3009 H1 TIP3 1979 -16.567 -15.915 6.581 0.00 0.00 WT0 H +ATOM 3010 H2 TIP3 1979 -16.697 -16.305 8.031 0.00 0.00 WT0 H +ATOM 3011 OH2 TIP3 1980 23.697 8.062 20.009 0.00 0.00 WT0 O +ATOM 3012 H1 TIP3 1980 23.697 9.012 20.099 0.00 0.00 WT0 H +ATOM 3013 H2 TIP3 1980 24.027 7.902 19.129 0.00 0.00 WT0 H +ATOM 3014 OH2 TIP3 1981 -16.784 12.044 -5.295 0.00 0.00 WT0 O +ATOM 3015 H1 TIP3 1981 -16.564 11.894 -4.375 0.00 0.00 WT0 H +ATOM 3016 H2 TIP3 1981 -17.584 11.534 -5.435 0.00 0.00 WT0 H +ATOM 3017 OH2 TIP3 1984 -22.755 13.772 7.933 0.00 0.00 WT0 O +ATOM 3018 H1 TIP3 1984 -23.345 14.492 7.703 0.00 0.00 WT0 H +ATOM 3019 H2 TIP3 1984 -22.645 13.842 8.873 0.00 0.00 WT0 H +ATOM 3020 OH2 TIP3 1985 12.493 -19.485 -2.854 0.00 0.00 WT0 O +ATOM 3021 H1 TIP3 1985 12.403 -18.775 -2.224 0.00 0.00 WT0 H +ATOM 3022 H2 TIP3 1985 12.143 -20.255 -2.394 0.00 0.00 WT0 H +ATOM 3023 OH2 TIP3 1986 -5.033 -3.922 13.443 0.00 0.00 WT0 O +ATOM 3024 H1 TIP3 1986 -4.433 -3.402 13.983 0.00 0.00 WT0 H +ATOM 3025 H2 TIP3 1986 -5.793 -4.072 13.993 0.00 0.00 WT0 H +ATOM 3026 OH2 TIP3 1987 -6.252 15.159 -14.827 0.00 0.00 WT0 O +ATOM 3027 H1 TIP3 1987 -5.312 15.119 -14.617 0.00 0.00 WT0 H +ATOM 3028 H2 TIP3 1987 -6.492 14.259 -15.037 0.00 0.00 WT0 H +ATOM 3029 OH2 TIP3 1989 8.019 -22.400 -12.894 0.00 0.00 WT0 O +ATOM 3030 H1 TIP3 1989 8.939 -22.270 -13.134 0.00 0.00 WT0 H +ATOM 3031 H2 TIP3 1989 7.709 -23.080 -13.494 0.00 0.00 WT0 H +ATOM 3032 OH2 TIP3 1993 3.599 -25.025 -22.027 0.00 0.00 WT0 O +ATOM 3033 H1 TIP3 1993 4.479 -24.645 -22.067 0.00 0.00 WT0 H +ATOM 3034 H2 TIP3 1993 3.089 -24.525 -22.657 0.00 0.00 WT0 H +ATOM 3035 OH2 TIP3 1994 -17.980 3.589 7.720 0.00 0.00 WT0 O +ATOM 3036 H1 TIP3 1994 -17.480 3.309 8.490 0.00 0.00 WT0 H +ATOM 3037 H2 TIP3 1994 -17.310 3.819 7.080 0.00 0.00 WT0 H +ATOM 3038 OH2 TIP3 1998 3.016 23.202 -15.421 0.00 0.00 WT0 O +ATOM 3039 H1 TIP3 1998 3.806 23.672 -15.141 0.00 0.00 WT0 H +ATOM 3040 H2 TIP3 1998 3.296 22.712 -16.201 0.00 0.00 WT0 H +ATOM 3041 OH2 TIP3 1999 16.880 16.081 -21.814 0.00 0.00 WT0 O +ATOM 3042 H1 TIP3 1999 16.330 16.321 -21.064 0.00 0.00 WT0 H +ATOM 3043 H2 TIP3 1999 17.380 16.871 -22.004 0.00 0.00 WT0 H +ATOM 3044 OH2 TIP3 2000 20.587 -18.935 -10.635 0.00 0.00 WT0 O +ATOM 3045 H1 TIP3 2000 21.087 -19.485 -10.025 0.00 0.00 WT0 H +ATOM 3046 H2 TIP3 2000 21.267 -18.475 -11.145 0.00 0.00 WT0 H +ATOM 3047 OH2 TIP3 2001 18.907 -18.749 23.613 0.00 0.00 WT0 O +ATOM 3048 H1 TIP3 2001 17.957 -18.879 23.633 0.00 0.00 WT0 H +ATOM 3049 H2 TIP3 2001 19.277 -19.629 23.723 0.00 0.00 WT0 H +ATOM 3050 OH2 TIP3 2002 7.984 -24.472 12.240 0.00 0.00 WT0 O +ATOM 3051 H1 TIP3 2002 8.654 -24.062 12.790 0.00 0.00 WT0 H +ATOM 3052 H2 TIP3 2002 7.564 -25.122 12.810 0.00 0.00 WT0 H +ATOM 3053 OH2 TIP3 2003 -12.123 4.021 -12.416 0.00 0.00 WT0 O +ATOM 3054 H1 TIP3 2003 -12.873 3.491 -12.146 0.00 0.00 WT0 H +ATOM 3055 H2 TIP3 2003 -12.453 4.911 -12.426 0.00 0.00 WT0 H +ATOM 3056 OH2 TIP3 2004 -23.237 -4.364 -8.203 0.00 0.00 WT0 O +ATOM 3057 H1 TIP3 2004 -24.077 -3.914 -8.113 0.00 0.00 WT0 H +ATOM 3058 H2 TIP3 2004 -22.907 -4.074 -9.053 0.00 0.00 WT0 H +ATOM 3059 OH2 TIP3 2005 14.078 8.430 11.075 0.00 0.00 WT0 O +ATOM 3060 H1 TIP3 2005 13.338 7.900 11.365 0.00 0.00 WT0 H +ATOM 3061 H2 TIP3 2005 14.848 7.970 11.405 0.00 0.00 WT0 H +ATOM 3062 OH2 TIP3 2007 23.056 10.609 25.102 0.00 0.00 WT0 O +ATOM 3063 H1 TIP3 2007 23.486 10.109 24.412 0.00 0.00 WT0 H +ATOM 3064 H2 TIP3 2007 22.796 9.949 25.752 0.00 0.00 WT0 H +ATOM 3065 OH2 TIP3 2009 -14.536 9.678 -6.083 0.00 0.00 WT0 O +ATOM 3066 H1 TIP3 2009 -14.066 9.558 -5.253 0.00 0.00 WT0 H +ATOM 3067 H2 TIP3 2009 -15.316 10.178 -5.843 0.00 0.00 WT0 H +ATOM 3068 OH2 TIP3 2011 -15.203 17.523 15.195 0.00 0.00 WT0 O +ATOM 3069 H1 TIP3 2011 -14.413 16.983 15.295 0.00 0.00 WT0 H +ATOM 3070 H2 TIP3 2011 -15.893 16.903 14.975 0.00 0.00 WT0 H +ATOM 3071 OH2 TIP3 2014 -11.381 5.810 20.859 0.00 0.00 WT0 O +ATOM 3072 H1 TIP3 2014 -11.331 6.660 21.299 0.00 0.00 WT0 H +ATOM 3073 H2 TIP3 2014 -12.271 5.520 21.009 0.00 0.00 WT0 H +ATOM 3074 OH2 TIP3 2016 1.446 -14.744 -10.788 0.00 0.00 WT0 O +ATOM 3075 H1 TIP3 2016 0.786 -14.904 -10.118 0.00 0.00 WT0 H +ATOM 3076 H2 TIP3 2016 1.016 -14.144 -11.408 0.00 0.00 WT0 H +ATOM 3077 OH2 TIP3 2018 -20.676 -1.361 20.096 0.00 0.00 WT0 O +ATOM 3078 H1 TIP3 2018 -21.096 -0.631 20.556 0.00 0.00 WT0 H +ATOM 3079 H2 TIP3 2018 -21.026 -1.311 19.206 0.00 0.00 WT0 H +ATOM 3080 OH2 TIP3 2019 3.974 23.135 -10.105 0.00 0.00 WT0 O +ATOM 3081 H1 TIP3 2019 3.644 23.165 -9.205 0.00 0.00 WT0 H +ATOM 3082 H2 TIP3 2019 4.024 24.055 -10.375 0.00 0.00 WT0 H +ATOM 3083 OH2 TIP3 2021 -22.026 7.387 -12.338 0.00 0.00 WT0 O +ATOM 3084 H1 TIP3 2021 -21.096 7.517 -12.108 0.00 0.00 WT0 H +ATOM 3085 H2 TIP3 2021 -22.286 8.217 -12.738 0.00 0.00 WT0 H +ATOM 3086 OH2 TIP3 2022 -14.266 -2.645 -24.785 0.00 0.00 WT0 O +ATOM 3087 H1 TIP3 2022 -14.476 -2.625 -25.725 0.00 0.00 WT0 H +ATOM 3088 H2 TIP3 2022 -14.096 -3.565 -24.605 0.00 0.00 WT0 H +ATOM 3089 OH2 TIP3 2024 -11.415 18.995 -1.538 0.00 0.00 WT0 O +ATOM 3090 H1 TIP3 2024 -11.355 18.455 -2.318 0.00 0.00 WT0 H +ATOM 3091 H2 TIP3 2024 -11.475 18.375 -0.818 0.00 0.00 WT0 H +ATOM 3092 OH2 TIP3 2025 -20.134 -22.982 1.067 0.00 0.00 WT0 O +ATOM 3093 H1 TIP3 2025 -20.524 -22.712 1.897 0.00 0.00 WT0 H +ATOM 3094 H2 TIP3 2025 -19.964 -22.162 0.597 0.00 0.00 WT0 H +ATOM 3095 OH2 TIP3 2026 4.599 -14.529 -11.950 0.00 0.00 WT0 O +ATOM 3096 H1 TIP3 2026 3.989 -14.749 -11.250 0.00 0.00 WT0 H +ATOM 3097 H2 TIP3 2026 4.209 -14.899 -12.740 0.00 0.00 WT0 H +ATOM 3098 OH2 TIP3 2027 2.447 0.901 -0.884 0.00 0.00 WT0 O +ATOM 3099 H1 TIP3 2027 3.117 1.501 -1.214 0.00 0.00 WT0 H +ATOM 3100 H2 TIP3 2027 1.727 1.471 -0.624 0.00 0.00 WT0 H +ATOM 3101 OH2 TIP3 2029 16.176 -5.249 19.629 0.00 0.00 WT0 O +ATOM 3102 H1 TIP3 2029 16.526 -5.029 18.769 0.00 0.00 WT0 H +ATOM 3103 H2 TIP3 2029 15.496 -4.589 19.789 0.00 0.00 WT0 H +ATOM 3104 OH2 TIP3 2031 -7.766 21.155 -14.599 0.00 0.00 WT0 O +ATOM 3105 H1 TIP3 2031 -7.146 21.885 -14.569 0.00 0.00 WT0 H +ATOM 3106 H2 TIP3 2031 -7.226 20.385 -14.739 0.00 0.00 WT0 H +ATOM 3107 OH2 TIP3 2033 -2.657 8.033 -6.532 0.00 0.00 WT0 O +ATOM 3108 H1 TIP3 2033 -2.217 8.643 -5.932 0.00 0.00 WT0 H +ATOM 3109 H2 TIP3 2033 -3.567 8.343 -6.562 0.00 0.00 WT0 H +ATOM 3110 OH2 TIP3 2037 22.261 24.091 -10.838 0.00 0.00 WT0 O +ATOM 3111 H1 TIP3 2037 21.662 24.771 -10.518 0.00 0.00 WT0 H +ATOM 3112 H2 TIP3 2037 21.691 23.361 -11.078 0.00 0.00 WT0 H +ATOM 3113 OH2 TIP3 2038 11.369 2.378 -1.349 0.00 0.00 WT0 O +ATOM 3114 H1 TIP3 2038 10.869 2.728 -0.609 0.00 0.00 WT0 H +ATOM 3115 H2 TIP3 2038 12.139 2.938 -1.419 0.00 0.00 WT0 H +ATOM 3116 OH2 TIP3 2039 24.916 24.118 -11.658 0.00 0.00 WT0 O +ATOM 3117 H1 TIP3 2039 24.046 24.488 -11.508 0.00 0.00 WT0 H +ATOM 3118 H2 TIP3 2039 24.896 23.808 -12.558 0.00 0.00 WT0 H +ATOM 3119 OH2 TIP3 2040 12.527 -24.585 17.265 0.00 0.00 WT0 O +ATOM 3120 H1 TIP3 2040 12.107 -24.995 18.025 0.00 0.00 WT0 H +ATOM 3121 H2 TIP3 2040 12.167 -25.065 16.515 0.00 0.00 WT0 H +ATOM 3122 OH2 TIP3 2041 10.749 8.513 15.652 0.00 0.00 WT0 O +ATOM 3123 H1 TIP3 2041 10.719 8.963 16.502 0.00 0.00 WT0 H +ATOM 3124 H2 TIP3 2041 9.939 8.783 15.212 0.00 0.00 WT0 H +ATOM 3125 OH2 TIP3 2043 8.414 -23.996 -18.828 0.00 0.00 WT0 O +ATOM 3126 H1 TIP3 2043 8.574 -23.376 -19.538 0.00 0.00 WT0 H +ATOM 3127 H2 TIP3 2043 7.464 -24.096 -18.798 0.00 0.00 WT0 H +ATOM 3128 OH2 TIP3 2044 -18.402 -4.097 4.657 0.00 0.00 WT0 O +ATOM 3129 H1 TIP3 2044 -19.232 -4.377 5.037 0.00 0.00 WT0 H +ATOM 3130 H2 TIP3 2044 -18.092 -3.407 5.237 0.00 0.00 WT0 H +ATOM 3131 OH2 TIP3 2045 12.683 6.490 14.568 0.00 0.00 WT0 O +ATOM 3132 H1 TIP3 2045 12.013 7.030 14.148 0.00 0.00 WT0 H +ATOM 3133 H2 TIP3 2045 13.513 6.900 14.308 0.00 0.00 WT0 H +ATOM 3134 OH2 TIP3 2047 -13.471 24.067 -22.011 0.00 0.00 WT0 O +ATOM 3135 H1 TIP3 2047 -12.911 24.427 -21.321 0.00 0.00 WT0 H +ATOM 3136 H2 TIP3 2047 -13.601 23.157 -21.761 0.00 0.00 WT0 H +ATOM 3137 OH2 TIP3 2048 21.524 2.601 24.067 0.00 0.00 WT0 O +ATOM 3138 H1 TIP3 2048 21.084 2.131 23.357 0.00 0.00 WT0 H +ATOM 3139 H2 TIP3 2048 21.154 2.231 24.867 0.00 0.00 WT0 H +ATOM 3140 OH2 TIP3 2049 -17.777 14.872 20.971 0.00 0.00 WT0 O +ATOM 3141 H1 TIP3 2049 -16.957 15.112 20.541 0.00 0.00 WT0 H +ATOM 3142 H2 TIP3 2049 -17.747 15.302 21.821 0.00 0.00 WT0 H +ATOM 3143 OH2 TIP3 2050 8.415 16.888 -11.711 0.00 0.00 WT0 O +ATOM 3144 H1 TIP3 2050 7.885 16.198 -12.121 0.00 0.00 WT0 H +ATOM 3145 H2 TIP3 2050 7.835 17.648 -11.671 0.00 0.00 WT0 H +ATOM 3146 OH2 TIP3 2052 7.086 4.958 8.010 0.00 0.00 WT0 O +ATOM 3147 H1 TIP3 2052 6.586 4.328 7.470 0.00 0.00 WT0 H +ATOM 3148 H2 TIP3 2052 6.886 4.708 8.910 0.00 0.00 WT0 H +ATOM 3149 OH2 TIP3 2053 -8.116 1.783 25.261 0.00 0.00 WT0 O +ATOM 3150 H1 TIP3 2053 -7.666 2.453 24.741 0.00 0.00 WT0 H +ATOM 3151 H2 TIP3 2053 -8.996 1.733 24.891 0.00 0.00 WT0 H +ATOM 3152 OH2 TIP3 2054 19.505 -7.758 18.473 0.00 0.00 WT0 O +ATOM 3153 H1 TIP3 2054 19.025 -7.788 19.303 0.00 0.00 WT0 H +ATOM 3154 H2 TIP3 2054 20.145 -8.458 18.533 0.00 0.00 WT0 H +ATOM 3155 OH2 TIP3 2056 -11.910 14.665 -14.721 0.00 0.00 WT0 O +ATOM 3156 H1 TIP3 2056 -12.440 15.345 -14.301 0.00 0.00 WT0 H +ATOM 3157 H2 TIP3 2056 -12.540 14.085 -15.141 0.00 0.00 WT0 H +ATOM 3158 OH2 TIP3 2060 23.091 -6.486 19.163 0.00 0.00 WT0 O +ATOM 3159 H1 TIP3 2060 22.821 -7.356 19.433 0.00 0.00 WT0 H +ATOM 3160 H2 TIP3 2060 23.371 -6.066 19.983 0.00 0.00 WT0 H +ATOM 3161 OH2 TIP3 2061 -22.529 6.830 21.289 0.00 0.00 WT0 O +ATOM 3162 H1 TIP3 2061 -22.649 7.520 21.939 0.00 0.00 WT0 H +ATOM 3163 H2 TIP3 2061 -21.889 6.230 21.689 0.00 0.00 WT0 H +ATOM 3164 OH2 TIP3 2062 -10.544 13.781 -22.142 0.00 0.00 WT0 O +ATOM 3165 H1 TIP3 2062 -10.934 13.491 -22.962 0.00 0.00 WT0 H +ATOM 3166 H2 TIP3 2062 -9.904 14.441 -22.392 0.00 0.00 WT0 H +ATOM 3167 OH2 TIP3 2063 11.193 18.147 -21.591 0.00 0.00 WT0 O +ATOM 3168 H1 TIP3 2063 10.963 19.007 -21.951 0.00 0.00 WT0 H +ATOM 3169 H2 TIP3 2063 12.013 17.917 -22.031 0.00 0.00 WT0 H +ATOM 3170 OH2 TIP3 2065 -7.391 7.249 -10.453 0.00 0.00 WT0 O +ATOM 3171 H1 TIP3 2065 -7.011 7.379 -9.583 0.00 0.00 WT0 H +ATOM 3172 H2 TIP3 2065 -7.821 8.079 -10.653 0.00 0.00 WT0 H +ATOM 3173 OH2 TIP3 2068 1.726 -7.731 -17.641 0.00 0.00 WT0 O +ATOM 3174 H1 TIP3 2068 0.896 -7.291 -17.831 0.00 0.00 WT0 H +ATOM 3175 H2 TIP3 2068 1.746 -7.801 -16.681 0.00 0.00 WT0 H +ATOM 3176 OH2 TIP3 2069 -5.802 12.361 -15.191 0.00 0.00 WT0 O +ATOM 3177 H1 TIP3 2069 -6.392 11.811 -14.671 0.00 0.00 WT0 H +ATOM 3178 H2 TIP3 2069 -5.422 11.761 -15.831 0.00 0.00 WT0 H +ATOM 3179 OH2 TIP3 2070 19.313 6.341 1.653 0.00 0.00 WT0 O +ATOM 3180 H1 TIP3 2070 19.793 5.601 2.023 0.00 0.00 WT0 H +ATOM 3181 H2 TIP3 2070 19.373 7.031 2.313 0.00 0.00 WT0 H +ATOM 3182 OH2 TIP3 2073 24.430 -25.243 -19.752 0.00 0.00 WT0 O +ATOM 3183 H1 TIP3 2073 25.210 -24.733 -19.522 0.00 0.00 WT0 H +ATOM 3184 H2 TIP3 2073 23.720 -24.603 -19.772 0.00 0.00 WT0 H +ATOM 3185 OH2 TIP3 2075 -1.707 2.110 -10.353 0.00 0.00 WT0 O +ATOM 3186 H1 TIP3 2075 -2.267 1.340 -10.443 0.00 0.00 WT0 H +ATOM 3187 H2 TIP3 2075 -1.717 2.520 -11.223 0.00 0.00 WT0 H +ATOM 3188 OH2 TIP3 2079 -23.521 -23.740 10.975 0.00 0.00 WT0 O +ATOM 3189 H1 TIP3 2079 -22.821 -23.110 11.125 0.00 0.00 WT0 H +ATOM 3190 H2 TIP3 2079 -23.561 -23.840 10.025 0.00 0.00 WT0 H +ATOM 3191 OH2 TIP3 2081 -18.741 20.945 -21.131 0.00 0.00 WT0 O +ATOM 3192 H1 TIP3 2081 -19.011 20.705 -20.251 0.00 0.00 WT0 H +ATOM 3193 H2 TIP3 2081 -19.541 21.245 -21.561 0.00 0.00 WT0 H +ATOM 3194 OH2 TIP3 2082 18.320 -5.389 -1.499 0.00 0.00 WT0 O +ATOM 3195 H1 TIP3 2082 18.420 -6.119 -2.119 0.00 0.00 WT0 H +ATOM 3196 H2 TIP3 2082 17.570 -4.899 -1.829 0.00 0.00 WT0 H +ATOM 3197 OH2 TIP3 2083 -8.556 -24.502 -19.146 0.00 0.00 WT0 O +ATOM 3198 H1 TIP3 2083 -8.236 -23.682 -18.786 0.00 0.00 WT0 H +ATOM 3199 H2 TIP3 2083 -8.226 -24.522 -20.046 0.00 0.00 WT0 H +ATOM 3200 OH2 TIP3 2084 -11.137 -18.939 -20.453 0.00 0.00 WT0 O +ATOM 3201 H1 TIP3 2084 -10.517 -18.469 -21.003 0.00 0.00 WT0 H +ATOM 3202 H2 TIP3 2084 -11.507 -18.269 -19.883 0.00 0.00 WT0 H +ATOM 3203 OH2 TIP3 2086 24.670 11.332 4.371 0.00 0.00 WT0 O +ATOM 3204 H1 TIP3 2086 24.450 10.412 4.221 0.00 0.00 WT0 H +ATOM 3205 H2 TIP3 2086 24.250 11.802 3.661 0.00 0.00 WT0 H +ATOM 3206 OH2 TIP3 2089 -18.172 19.143 13.001 0.00 0.00 WT0 O +ATOM 3207 H1 TIP3 2089 -18.592 20.003 13.001 0.00 0.00 WT0 H +ATOM 3208 H2 TIP3 2089 -17.302 19.303 13.351 0.00 0.00 WT0 H +ATOM 3209 OH2 TIP3 2090 9.597 21.290 22.015 0.00 0.00 WT0 O +ATOM 3210 H1 TIP3 2090 9.977 20.480 22.365 0.00 0.00 WT0 H +ATOM 3211 H2 TIP3 2090 8.657 21.180 22.165 0.00 0.00 WT0 H +ATOM 3212 OH2 TIP3 2091 -8.394 -23.070 5.061 0.00 0.00 WT0 O +ATOM 3213 H1 TIP3 2091 -9.274 -23.420 5.171 0.00 0.00 WT0 H +ATOM 3214 H2 TIP3 2091 -8.234 -22.570 5.861 0.00 0.00 WT0 H +ATOM 3215 OH2 TIP3 2092 11.277 -21.699 -8.209 0.00 0.00 WT0 O +ATOM 3216 H1 TIP3 2092 12.047 -21.259 -7.849 0.00 0.00 WT0 H +ATOM 3217 H2 TIP3 2092 11.587 -22.089 -9.029 0.00 0.00 WT0 H +ATOM 3218 OH2 TIP3 2095 -16.997 -6.165 8.869 0.00 0.00 WT0 O +ATOM 3219 H1 TIP3 2095 -16.557 -5.875 8.059 0.00 0.00 WT0 H +ATOM 3220 H2 TIP3 2095 -16.287 -6.515 9.399 0.00 0.00 WT0 H +ATOM 3221 OH2 TIP3 2098 -23.331 8.660 0.656 0.00 0.00 WT0 O +ATOM 3222 H1 TIP3 2098 -22.981 8.320 -0.174 0.00 0.00 WT0 H +ATOM 3223 H2 TIP3 2098 -22.791 9.430 0.836 0.00 0.00 WT0 H +ATOM 3224 OH2 TIP3 2099 -5.286 22.483 15.504 0.00 0.00 WT0 O +ATOM 3225 H1 TIP3 2099 -5.616 21.583 15.564 0.00 0.00 WT0 H +ATOM 3226 H2 TIP3 2099 -5.186 22.763 16.414 0.00 0.00 WT0 H +ATOM 3227 OH2 TIP3 2103 22.478 -24.349 19.933 0.00 0.00 WT0 O +ATOM 3228 H1 TIP3 2103 21.598 -24.639 20.153 0.00 0.00 WT0 H +ATOM 3229 H2 TIP3 2103 22.898 -25.129 19.553 0.00 0.00 WT0 H +ATOM 3230 OH2 TIP3 2105 11.266 12.163 9.652 0.00 0.00 WT0 O +ATOM 3231 H1 TIP3 2105 11.876 11.743 10.262 0.00 0.00 WT0 H +ATOM 3232 H2 TIP3 2105 10.576 11.513 9.502 0.00 0.00 WT0 H +ATOM 3233 OH2 TIP3 2106 3.388 13.755 -5.359 0.00 0.00 WT0 O +ATOM 3234 H1 TIP3 2106 3.648 13.045 -5.939 0.00 0.00 WT0 H +ATOM 3235 H2 TIP3 2106 4.208 14.185 -5.109 0.00 0.00 WT0 H +ATOM 3236 OH2 TIP3 2107 17.006 -15.991 -24.254 0.00 0.00 WT0 O +ATOM 3237 H1 TIP3 2107 17.576 -16.401 -23.604 0.00 0.00 WT0 H +ATOM 3238 H2 TIP3 2107 16.646 -16.721 -24.754 0.00 0.00 WT0 H +ATOM 3239 OH2 TIP3 2109 4.335 24.898 -1.026 0.00 0.00 WT0 O +ATOM 3240 H1 TIP3 2109 4.405 24.398 -1.836 0.00 0.00 WT0 H +ATOM 3241 H2 TIP3 2109 4.615 24.288 -0.346 0.00 0.00 WT0 H +ATOM 3242 OH2 TIP3 2110 14.730 7.814 22.313 0.00 0.00 WT0 O +ATOM 3243 H1 TIP3 2110 15.270 7.634 23.083 0.00 0.00 WT0 H +ATOM 3244 H2 TIP3 2110 14.000 7.194 22.393 0.00 0.00 WT0 H +ATOM 3245 OH2 TIP3 2113 14.065 14.929 -15.911 0.00 0.00 WT0 O +ATOM 3246 H1 TIP3 2113 13.745 14.159 -15.431 0.00 0.00 WT0 H +ATOM 3247 H2 TIP3 2113 13.975 15.649 -15.291 0.00 0.00 WT0 H +ATOM 3248 OH2 TIP3 2114 -2.872 24.668 14.612 0.00 0.00 WT0 O +ATOM 3249 H1 TIP3 2114 -3.822 24.758 14.642 0.00 0.00 WT0 H +ATOM 3250 H2 TIP3 2114 -2.692 24.358 13.722 0.00 0.00 WT0 H +ATOM 3251 OH2 TIP3 2115 -2.377 21.374 17.409 0.00 0.00 WT0 O +ATOM 3252 H1 TIP3 2115 -1.907 21.964 17.999 0.00 0.00 WT0 H +ATOM 3253 H2 TIP3 2115 -2.757 21.954 16.749 0.00 0.00 WT0 H +ATOM 3254 OH2 TIP3 2116 18.661 -1.757 12.159 0.00 0.00 WT0 O +ATOM 3255 H1 TIP3 2116 19.271 -1.057 11.959 0.00 0.00 WT0 H +ATOM 3256 H2 TIP3 2116 19.091 -2.547 11.839 0.00 0.00 WT0 H +ATOM 3257 OH2 TIP3 2117 -2.127 16.143 19.736 0.00 0.00 WT0 O +ATOM 3258 H1 TIP3 2117 -1.627 16.953 19.666 0.00 0.00 WT0 H +ATOM 3259 H2 TIP3 2117 -2.447 15.973 18.856 0.00 0.00 WT0 H +ATOM 3260 OH2 TIP3 2118 0.067 8.036 -0.336 0.00 0.00 WT0 O +ATOM 3261 H1 TIP3 2118 -0.123 8.546 0.454 0.00 0.00 WT0 H +ATOM 3262 H2 TIP3 2118 -0.743 7.566 -0.526 0.00 0.00 WT0 H +ATOM 3263 OH2 TIP3 2123 10.616 12.929 -0.496 0.00 0.00 WT0 O +ATOM 3264 H1 TIP3 2123 10.966 13.799 -0.696 0.00 0.00 WT0 H +ATOM 3265 H2 TIP3 2123 10.576 12.479 -1.346 0.00 0.00 WT0 H +ATOM 3266 OH2 TIP3 2127 11.913 16.572 -14.823 0.00 0.00 WT0 O +ATOM 3267 H1 TIP3 2127 11.643 17.002 -15.633 0.00 0.00 WT0 H +ATOM 3268 H2 TIP3 2127 11.113 16.482 -14.313 0.00 0.00 WT0 H +ATOM 3269 OH2 TIP3 2129 11.771 -1.730 -10.947 0.00 0.00 WT0 O +ATOM 3270 H1 TIP3 2129 11.681 -0.780 -10.967 0.00 0.00 WT0 H +ATOM 3271 H2 TIP3 2129 12.061 -1.970 -11.827 0.00 0.00 WT0 H +ATOM 3272 OH2 TIP3 2133 -13.944 19.231 -5.965 0.00 0.00 WT0 O +ATOM 3273 H1 TIP3 2133 -14.084 18.761 -5.145 0.00 0.00 WT0 H +ATOM 3274 H2 TIP3 2133 -14.544 18.831 -6.595 0.00 0.00 WT0 H +ATOM 3275 OH2 TIP3 2134 -3.763 -7.053 25.041 0.00 0.00 WT0 O +ATOM 3276 H1 TIP3 2134 -3.813 -6.113 25.221 0.00 0.00 WT0 H +ATOM 3277 H2 TIP3 2134 -3.563 -7.113 24.111 0.00 0.00 WT0 H +ATOM 3278 OH2 TIP3 2135 21.813 -5.187 2.156 0.00 0.00 WT0 O +ATOM 3279 H1 TIP3 2135 21.743 -4.577 2.886 0.00 0.00 WT0 H +ATOM 3280 H2 TIP3 2135 22.003 -4.627 1.396 0.00 0.00 WT0 H +ATOM 3281 OH2 TIP3 2136 5.258 -6.122 -1.334 0.00 0.00 WT0 O +ATOM 3282 H1 TIP3 2136 4.428 -6.142 -0.854 0.00 0.00 WT0 H +ATOM 3283 H2 TIP3 2136 5.798 -6.782 -0.904 0.00 0.00 WT0 H +ATOM 3284 OH2 TIP3 2137 12.676 0.871 -21.712 0.00 0.00 WT0 O +ATOM 3285 H1 TIP3 2137 13.066 1.561 -22.252 0.00 0.00 WT0 H +ATOM 3286 H2 TIP3 2137 12.766 0.071 -22.242 0.00 0.00 WT0 H +ATOM 3287 OH2 TIP3 2147 16.728 -19.022 -7.204 0.00 0.00 WT0 O +ATOM 3288 H1 TIP3 2147 17.458 -19.272 -7.764 0.00 0.00 WT0 H +ATOM 3289 H2 TIP3 2147 16.438 -18.182 -7.564 0.00 0.00 WT0 H +ATOM 3290 OH2 TIP3 2151 21.098 -18.118 -19.741 0.00 0.00 WT0 O +ATOM 3291 H1 TIP3 2151 21.308 -18.278 -18.821 0.00 0.00 WT0 H +ATOM 3292 H2 TIP3 2151 20.638 -18.908 -20.031 0.00 0.00 WT0 H +ATOM 3293 OH2 TIP3 2155 13.731 -12.911 -10.644 0.00 0.00 WT0 O +ATOM 3294 H1 TIP3 2155 13.541 -12.001 -10.404 0.00 0.00 WT0 H +ATOM 3295 H2 TIP3 2155 14.621 -13.061 -10.324 0.00 0.00 WT0 H +ATOM 3296 OH2 TIP3 2159 24.261 -7.762 -5.210 0.00 0.00 WT0 O +ATOM 3297 H1 TIP3 2159 25.091 -8.222 -5.380 0.00 0.00 WT0 H +ATOM 3298 H2 TIP3 2159 23.741 -8.382 -4.700 0.00 0.00 WT0 H +ATOM 3299 OH2 TIP3 2163 13.630 -14.111 3.399 0.00 0.00 WT0 O +ATOM 3300 H1 TIP3 2163 13.040 -14.871 3.399 0.00 0.00 WT0 H +ATOM 3301 H2 TIP3 2163 14.370 -14.401 2.869 0.00 0.00 WT0 H +ATOM 3302 OH2 TIP3 2165 -11.566 -12.547 19.700 0.00 0.00 WT0 O +ATOM 3303 H1 TIP3 2165 -12.086 -12.847 18.950 0.00 0.00 WT0 H +ATOM 3304 H2 TIP3 2165 -11.126 -11.757 19.390 0.00 0.00 WT0 H +ATOM 3305 OH2 TIP3 2167 -14.261 -21.321 18.258 0.00 0.00 WT0 O +ATOM 3306 H1 TIP3 2167 -13.781 -21.831 18.908 0.00 0.00 WT0 H +ATOM 3307 H2 TIP3 2167 -14.611 -20.571 18.738 0.00 0.00 WT0 H +ATOM 3308 OH2 TIP3 2168 20.593 -5.322 21.557 0.00 0.00 WT0 O +ATOM 3309 H1 TIP3 2168 21.103 -4.582 21.887 0.00 0.00 WT0 H +ATOM 3310 H2 TIP3 2168 19.763 -5.272 22.017 0.00 0.00 WT0 H +ATOM 3311 OH2 TIP3 2172 -18.885 10.059 -18.161 0.00 0.00 WT0 O +ATOM 3312 H1 TIP3 2172 -19.105 9.129 -18.231 0.00 0.00 WT0 H +ATOM 3313 H2 TIP3 2172 -19.405 10.369 -17.421 0.00 0.00 WT0 H +ATOM 3314 OH2 TIP3 2180 -6.166 -13.245 -20.140 0.00 0.00 WT0 O +ATOM 3315 H1 TIP3 2180 -5.346 -13.115 -19.660 0.00 0.00 WT0 H +ATOM 3316 H2 TIP3 2180 -6.046 -12.755 -20.960 0.00 0.00 WT0 H +ATOM 3317 OH2 TIP3 2185 18.750 -15.851 -11.010 0.00 0.00 WT0 O +ATOM 3318 H1 TIP3 2185 18.620 -15.321 -10.230 0.00 0.00 WT0 H +ATOM 3319 H2 TIP3 2185 19.560 -16.341 -10.840 0.00 0.00 WT0 H +ATOM 3320 OH2 TIP3 2186 19.580 -10.584 12.677 0.00 0.00 WT0 O +ATOM 3321 H1 TIP3 2186 19.640 -10.944 11.787 0.00 0.00 WT0 H +ATOM 3322 H2 TIP3 2186 18.640 -10.514 12.837 0.00 0.00 WT0 H +ATOM 3323 OH2 TIP3 2187 -0.804 -15.003 2.369 0.00 0.00 WT0 O +ATOM 3324 H1 TIP3 2187 -1.094 -15.123 3.279 0.00 0.00 WT0 H +ATOM 3325 H2 TIP3 2187 -1.514 -14.513 1.949 0.00 0.00 WT0 H +ATOM 3326 OH2 TIP3 2194 4.815 15.628 -19.935 0.00 0.00 WT0 O +ATOM 3327 H1 TIP3 2194 4.725 14.698 -20.135 0.00 0.00 WT0 H +ATOM 3328 H2 TIP3 2194 5.725 15.828 -20.155 0.00 0.00 WT0 H +ATOM 3329 OH2 TIP3 2195 20.071 8.977 20.653 0.00 0.00 WT0 O +ATOM 3330 H1 TIP3 2195 20.171 9.587 21.373 0.00 0.00 WT0 H +ATOM 3331 H2 TIP3 2195 20.601 9.347 19.943 0.00 0.00 WT0 H +ATOM 3332 OH2 TIP3 2197 4.014 -3.895 19.205 0.00 0.00 WT0 O +ATOM 3333 H1 TIP3 2197 4.234 -3.475 20.035 0.00 0.00 WT0 H +ATOM 3334 H2 TIP3 2197 3.884 -4.815 19.435 0.00 0.00 WT0 H +ATOM 3335 OH2 TIP3 2198 -3.621 -9.465 23.356 0.00 0.00 WT0 O +ATOM 3336 H1 TIP3 2198 -4.531 -9.455 23.056 0.00 0.00 WT0 H +ATOM 3337 H2 TIP3 2198 -3.111 -9.655 22.566 0.00 0.00 WT0 H +ATOM 3338 OH2 TIP3 2200 18.663 -18.253 12.862 0.00 0.00 WT0 O +ATOM 3339 H1 TIP3 2200 18.753 -17.483 12.292 0.00 0.00 WT0 H +ATOM 3340 H2 TIP3 2200 18.453 -17.893 13.722 0.00 0.00 WT0 H +ATOM 3341 OH2 TIP3 2208 4.870 -19.430 -22.314 0.00 0.00 WT0 O +ATOM 3342 H1 TIP3 2208 4.440 -19.830 -23.054 0.00 0.00 WT0 H +ATOM 3343 H2 TIP3 2208 4.160 -19.210 -21.704 0.00 0.00 WT0 H +ATOM 3344 OH2 TIP3 2211 22.793 -1.673 1.270 0.00 0.00 WT0 O +ATOM 3345 H1 TIP3 2211 21.963 -1.643 0.800 0.00 0.00 WT0 H +ATOM 3346 H2 TIP3 2211 22.553 -1.903 2.160 0.00 0.00 WT0 H +ATOM 3347 OH2 TIP3 2213 -13.214 -15.305 -4.560 0.00 0.00 WT0 O +ATOM 3348 H1 TIP3 2213 -13.614 -14.695 -5.190 0.00 0.00 WT0 H +ATOM 3349 H2 TIP3 2213 -13.774 -16.085 -4.600 0.00 0.00 WT0 H +ATOM 3350 OH2 TIP3 2217 15.207 -16.184 11.921 0.00 0.00 WT0 O +ATOM 3351 H1 TIP3 2217 15.057 -16.054 12.861 0.00 0.00 WT0 H +ATOM 3352 H2 TIP3 2217 14.537 -15.634 11.491 0.00 0.00 WT0 H +ATOM 3353 OH2 TIP3 2219 -0.265 -22.371 -16.137 0.00 0.00 WT0 O +ATOM 3354 H1 TIP3 2219 -0.455 -21.491 -15.807 0.00 0.00 WT0 H +ATOM 3355 H2 TIP3 2219 0.445 -22.691 -15.577 0.00 0.00 WT0 H +ATOM 3356 OH2 TIP3 2227 3.138 19.065 18.041 0.00 0.00 WT0 O +ATOM 3357 H1 TIP3 2227 2.868 18.865 17.151 0.00 0.00 WT0 H +ATOM 3358 H2 TIP3 2227 2.998 18.245 18.521 0.00 0.00 WT0 H +ATOM 3359 OH2 TIP3 2229 20.691 16.321 13.475 0.00 0.00 WT0 O +ATOM 3360 H1 TIP3 2229 20.481 16.691 14.325 0.00 0.00 WT0 H +ATOM 3361 H2 TIP3 2229 21.461 15.781 13.635 0.00 0.00 WT0 H +ATOM 3362 OH2 TIP3 2231 18.364 0.540 -0.525 0.00 0.00 WT0 O +ATOM 3363 H1 TIP3 2231 19.224 0.710 -0.925 0.00 0.00 WT0 H +ATOM 3364 H2 TIP3 2231 18.244 -0.400 -0.605 0.00 0.00 WT0 H +ATOM 3365 OH2 TIP3 2234 7.244 -0.127 16.570 0.00 0.00 WT0 O +ATOM 3366 H1 TIP3 2234 7.724 -0.867 16.940 0.00 0.00 WT0 H +ATOM 3367 H2 TIP3 2234 7.904 0.363 16.080 0.00 0.00 WT0 H +ATOM 3368 OH2 TIP3 2235 10.576 -15.865 -2.610 0.00 0.00 WT0 O +ATOM 3369 H1 TIP3 2235 10.146 -16.385 -3.290 0.00 0.00 WT0 H +ATOM 3370 H2 TIP3 2235 10.766 -16.485 -1.910 0.00 0.00 WT0 H +ATOM 3371 OH2 TIP3 2236 21.078 22.520 -2.162 0.00 0.00 WT0 O +ATOM 3372 H1 TIP3 2236 20.838 23.330 -1.712 0.00 0.00 WT0 H +ATOM 3373 H2 TIP3 2236 22.028 22.450 -2.032 0.00 0.00 WT0 H +ATOM 3374 OH2 TIP3 2237 -14.005 -21.728 -24.336 0.00 0.00 WT0 O +ATOM 3375 H1 TIP3 2237 -13.585 -20.968 -23.936 0.00 0.00 WT0 H +ATOM 3376 H2 TIP3 2237 -14.325 -21.408 -25.186 0.00 0.00 WT0 H +ATOM 3377 OH2 TIP3 2238 5.803 -14.699 -18.160 0.00 0.00 WT0 O +ATOM 3378 H1 TIP3 2238 5.703 -15.319 -18.890 0.00 0.00 WT0 H +ATOM 3379 H2 TIP3 2238 4.913 -14.429 -17.950 0.00 0.00 WT0 H +ATOM 3380 OH2 TIP3 2240 23.394 11.103 8.278 0.00 0.00 WT0 O +ATOM 3381 H1 TIP3 2240 22.964 11.923 8.528 0.00 0.00 WT0 H +ATOM 3382 H2 TIP3 2240 22.764 10.423 8.508 0.00 0.00 WT0 H +ATOM 3383 OH2 TIP3 2241 11.554 -6.037 8.186 0.00 0.00 WT0 O +ATOM 3384 H1 TIP3 2241 11.534 -5.097 7.986 0.00 0.00 WT0 H +ATOM 3385 H2 TIP3 2241 11.894 -6.087 9.076 0.00 0.00 WT0 H +ATOM 3386 OH2 TIP3 2242 -22.499 -19.342 -21.270 0.00 0.00 WT0 O +ATOM 3387 H1 TIP3 2242 -23.309 -19.842 -21.160 0.00 0.00 WT0 H +ATOM 3388 H2 TIP3 2242 -21.939 -19.622 -20.540 0.00 0.00 WT0 H +ATOM 3389 OH2 TIP3 2244 6.153 5.890 -25.355 0.00 0.00 WT0 O +ATOM 3390 H1 TIP3 2244 6.413 6.770 -25.645 0.00 0.00 WT0 H +ATOM 3391 H2 TIP3 2244 6.743 5.690 -24.635 0.00 0.00 WT0 H +ATOM 3392 OH2 TIP3 2250 3.365 3.948 -16.804 0.00 0.00 WT0 O +ATOM 3393 H1 TIP3 2250 4.315 3.828 -16.884 0.00 0.00 WT0 H +ATOM 3394 H2 TIP3 2250 3.105 4.378 -17.614 0.00 0.00 WT0 H +ATOM 3395 OH2 TIP3 2251 3.305 -14.917 -8.644 0.00 0.00 WT0 O +ATOM 3396 H1 TIP3 2251 2.655 -14.707 -9.324 0.00 0.00 WT0 H +ATOM 3397 H2 TIP3 2251 3.275 -14.157 -8.054 0.00 0.00 WT0 H +ATOM 3398 OH2 TIP3 2253 19.535 -15.838 17.482 0.00 0.00 WT0 O +ATOM 3399 H1 TIP3 2253 19.985 -16.688 17.502 0.00 0.00 WT0 H +ATOM 3400 H2 TIP3 2253 19.365 -15.638 18.402 0.00 0.00 WT0 H +ATOM 3401 OH2 TIP3 2254 -23.247 3.024 -17.701 0.00 0.00 WT0 O +ATOM 3402 H1 TIP3 2254 -24.007 2.654 -18.151 0.00 0.00 WT0 H +ATOM 3403 H2 TIP3 2254 -23.457 2.924 -16.771 0.00 0.00 WT0 H +ATOM 3404 OH2 TIP3 2256 -17.946 -24.248 -10.557 0.00 0.00 WT0 O +ATOM 3405 H1 TIP3 2256 -17.686 -23.418 -10.167 0.00 0.00 WT0 H +ATOM 3406 H2 TIP3 2256 -17.466 -24.908 -10.057 0.00 0.00 WT0 H +ATOM 3407 OH2 TIP3 2257 20.796 2.052 -21.835 0.00 0.00 WT0 O +ATOM 3408 H1 TIP3 2257 21.526 2.022 -22.455 0.00 0.00 WT0 H +ATOM 3409 H2 TIP3 2257 20.096 1.552 -22.265 0.00 0.00 WT0 H +ATOM 3410 OH2 TIP3 2258 13.016 10.755 20.406 0.00 0.00 WT0 O +ATOM 3411 H1 TIP3 2258 13.936 10.635 20.646 0.00 0.00 WT0 H +ATOM 3412 H2 TIP3 2258 12.806 11.635 20.706 0.00 0.00 WT0 H +ATOM 3413 OH2 TIP3 2259 -19.546 10.568 9.597 0.00 0.00 WT0 O +ATOM 3414 H1 TIP3 2259 -18.636 10.348 9.797 0.00 0.00 WT0 H +ATOM 3415 H2 TIP3 2259 -20.046 9.848 9.987 0.00 0.00 WT0 H +ATOM 3416 OH2 TIP3 2260 -17.245 -3.771 -23.414 0.00 0.00 WT0 O +ATOM 3417 H1 TIP3 2260 -16.795 -4.251 -22.724 0.00 0.00 WT0 H +ATOM 3418 H2 TIP3 2260 -17.075 -4.271 -24.214 0.00 0.00 WT0 H +ATOM 3419 OH2 TIP3 2261 11.441 9.723 -10.227 0.00 0.00 WT0 O +ATOM 3420 H1 TIP3 2261 11.411 10.613 -10.587 0.00 0.00 WT0 H +ATOM 3421 H2 TIP3 2261 10.971 9.193 -10.857 0.00 0.00 WT0 H +ATOM 3422 OH2 TIP3 2264 4.298 8.445 -2.348 0.00 0.00 WT0 O +ATOM 3423 H1 TIP3 2264 4.718 9.215 -1.968 0.00 0.00 WT0 H +ATOM 3424 H2 TIP3 2264 3.398 8.475 -1.998 0.00 0.00 WT0 H +ATOM 3425 OH2 TIP3 2269 -20.272 -13.377 -12.559 0.00 0.00 WT0 O +ATOM 3426 H1 TIP3 2269 -19.802 -12.747 -13.109 0.00 0.00 WT0 H +ATOM 3427 H2 TIP3 2269 -19.832 -14.207 -12.729 0.00 0.00 WT0 H +ATOM 3428 OH2 TIP3 2270 9.058 -15.045 -5.175 0.00 0.00 WT0 O +ATOM 3429 H1 TIP3 2270 9.708 -14.385 -5.435 0.00 0.00 WT0 H +ATOM 3430 H2 TIP3 2270 8.578 -14.635 -4.455 0.00 0.00 WT0 H +ATOM 3431 OH2 TIP3 2271 -19.140 7.793 -13.845 0.00 0.00 WT0 O +ATOM 3432 H1 TIP3 2271 -20.020 8.143 -13.985 0.00 0.00 WT0 H +ATOM 3433 H2 TIP3 2271 -19.070 7.713 -12.895 0.00 0.00 WT0 H +ATOM 3434 OH2 TIP3 2272 -17.504 -24.837 -16.924 0.00 0.00 WT0 O +ATOM 3435 H1 TIP3 2272 -16.814 -24.277 -17.264 0.00 0.00 WT0 H +ATOM 3436 H2 TIP3 2272 -18.014 -25.077 -17.704 0.00 0.00 WT0 H +ATOM 3437 OH2 TIP3 2275 -20.531 -16.187 8.318 0.00 0.00 WT0 O +ATOM 3438 H1 TIP3 2275 -20.061 -15.527 8.818 0.00 0.00 WT0 H +ATOM 3439 H2 TIP3 2275 -19.851 -16.737 7.938 0.00 0.00 WT0 H +ATOM 3440 OH2 TIP3 2277 -14.912 -10.321 -18.112 0.00 0.00 WT0 O +ATOM 3441 H1 TIP3 2277 -15.032 -10.311 -19.062 0.00 0.00 WT0 H +ATOM 3442 H2 TIP3 2277 -15.592 -10.911 -17.792 0.00 0.00 WT0 H +ATOM 3443 OH2 TIP3 2278 -2.272 0.277 5.356 0.00 0.00 WT0 O +ATOM 3444 H1 TIP3 2278 -3.082 0.587 4.956 0.00 0.00 WT0 H +ATOM 3445 H2 TIP3 2278 -2.512 -0.553 5.776 0.00 0.00 WT0 H +ATOM 3446 OH2 TIP3 2280 -0.549 -14.471 -4.471 0.00 0.00 WT0 O +ATOM 3447 H1 TIP3 2280 -0.299 -15.081 -5.171 0.00 0.00 WT0 H +ATOM 3448 H2 TIP3 2280 0.271 -14.261 -4.031 0.00 0.00 WT0 H +ATOM 3449 OH2 TIP3 2281 -1.113 -23.768 13.152 0.00 0.00 WT0 O +ATOM 3450 H1 TIP3 2281 -0.283 -23.378 12.862 0.00 0.00 WT0 H +ATOM 3451 H2 TIP3 2281 -1.243 -24.508 12.562 0.00 0.00 WT0 H +ATOM 3452 OH2 TIP3 2282 5.228 1.712 15.905 0.00 0.00 WT0 O +ATOM 3453 H1 TIP3 2282 5.368 0.772 15.865 0.00 0.00 WT0 H +ATOM 3454 H2 TIP3 2282 6.038 2.092 15.555 0.00 0.00 WT0 H +ATOM 3455 OH2 TIP3 2283 10.454 23.690 -8.378 0.00 0.00 WT0 O +ATOM 3456 H1 TIP3 2283 11.304 23.910 -8.018 0.00 0.00 WT0 H +ATOM 3457 H2 TIP3 2283 9.864 23.670 -7.618 0.00 0.00 WT0 H +ATOM 3458 OH2 TIP3 2284 16.771 -6.592 21.878 0.00 0.00 WT0 O +ATOM 3459 H1 TIP3 2284 17.661 -6.482 21.538 0.00 0.00 WT0 H +ATOM 3460 H2 TIP3 2284 16.291 -5.852 21.508 0.00 0.00 WT0 H +ATOM 3461 OH2 TIP3 2285 4.704 -4.824 -8.781 0.00 0.00 WT0 O +ATOM 3462 H1 TIP3 2285 3.904 -5.354 -8.801 0.00 0.00 WT0 H +ATOM 3463 H2 TIP3 2285 5.404 -5.434 -9.031 0.00 0.00 WT0 H +ATOM 3464 OH2 TIP3 2286 -20.927 -1.802 14.141 0.00 0.00 WT0 O +ATOM 3465 H1 TIP3 2286 -21.427 -1.012 13.921 0.00 0.00 WT0 H +ATOM 3466 H2 TIP3 2286 -20.787 -2.242 13.301 0.00 0.00 WT0 H +ATOM 3467 OH2 TIP3 2288 15.981 19.503 -22.801 0.00 0.00 WT0 O +ATOM 3468 H1 TIP3 2288 16.861 19.503 -22.431 0.00 0.00 WT0 H +ATOM 3469 H2 TIP3 2288 15.821 20.423 -23.031 0.00 0.00 WT0 H +ATOM 3470 OH2 TIP3 2289 -22.712 21.312 -15.331 0.00 0.00 WT0 O +ATOM 3471 H1 TIP3 2289 -22.012 21.942 -15.541 0.00 0.00 WT0 H +ATOM 3472 H2 TIP3 2289 -22.382 20.472 -15.661 0.00 0.00 WT0 H +ATOM 3473 OH2 TIP3 2290 5.946 -14.635 12.556 0.00 0.00 WT0 O +ATOM 3474 H1 TIP3 2290 6.356 -14.655 13.426 0.00 0.00 WT0 H +ATOM 3475 H2 TIP3 2290 6.336 -15.385 12.096 0.00 0.00 WT0 H +ATOM 3476 OH2 TIP3 2292 -22.337 5.971 -18.111 0.00 0.00 WT0 O +ATOM 3477 H1 TIP3 2292 -21.707 6.271 -17.461 0.00 0.00 WT0 H +ATOM 3478 H2 TIP3 2292 -22.647 5.131 -17.781 0.00 0.00 WT0 H +ATOM 3479 OH2 TIP3 2293 -20.946 -9.270 11.125 0.00 0.00 WT0 O +ATOM 3480 H1 TIP3 2293 -20.256 -9.940 11.065 0.00 0.00 WT0 H +ATOM 3481 H2 TIP3 2293 -21.616 -9.670 11.675 0.00 0.00 WT0 H +ATOM 3482 OH2 TIP3 2295 9.683 -19.551 -1.561 0.00 0.00 WT0 O +ATOM 3483 H1 TIP3 2295 9.833 -20.491 -1.531 0.00 0.00 WT0 H +ATOM 3484 H2 TIP3 2295 9.523 -19.351 -2.481 0.00 0.00 WT0 H +ATOM 3485 OH2 TIP3 2296 -10.162 10.412 10.729 0.00 0.00 WT0 O +ATOM 3486 H1 TIP3 2296 -10.812 9.982 10.189 0.00 0.00 WT0 H +ATOM 3487 H2 TIP3 2296 -10.172 9.922 11.559 0.00 0.00 WT0 H +ATOM 3488 OH2 TIP3 2298 7.124 -13.366 -4.098 0.00 0.00 WT0 O +ATOM 3489 H1 TIP3 2298 7.134 -12.906 -4.938 0.00 0.00 WT0 H +ATOM 3490 H2 TIP3 2298 6.204 -13.586 -3.958 0.00 0.00 WT0 H +ATOM 3491 OH2 TIP3 2301 -24.672 -19.619 -25.404 0.00 0.00 WT0 O +ATOM 3492 H1 TIP3 2301 -24.192 -19.429 -24.594 0.00 0.00 WT0 H +ATOM 3493 H2 TIP3 2301 -25.512 -19.179 -25.294 0.00 0.00 WT0 H +ATOM 3494 OH2 TIP3 2302 11.744 -9.420 -11.775 0.00 0.00 WT0 O +ATOM 3495 H1 TIP3 2302 11.264 -10.250 -11.715 0.00 0.00 WT0 H +ATOM 3496 H2 TIP3 2302 11.074 -8.750 -11.705 0.00 0.00 WT0 H +ATOM 3497 OH2 TIP3 2305 -4.686 -11.595 16.774 0.00 0.00 WT0 O +ATOM 3498 H1 TIP3 2305 -4.596 -12.515 17.024 0.00 0.00 WT0 H +ATOM 3499 H2 TIP3 2305 -3.896 -11.405 16.274 0.00 0.00 WT0 H +ATOM 3500 OH2 TIP3 2306 24.754 -1.246 22.497 0.00 0.00 WT0 O +ATOM 3501 H1 TIP3 2306 25.434 -1.456 21.857 0.00 0.00 WT0 H +ATOM 3502 H2 TIP3 2306 23.934 -1.286 21.987 0.00 0.00 WT0 H +ATOM 3503 OH2 TIP3 2309 -6.097 -25.428 11.081 0.00 0.00 WT0 O +ATOM 3504 H1 TIP3 2309 -5.327 -25.338 10.531 0.00 0.00 WT0 H +ATOM 3505 H2 TIP3 2309 -6.187 -24.588 11.521 0.00 0.00 WT0 H +ATOM 3506 OH2 TIP3 2311 8.635 1.715 4.829 0.00 0.00 WT0 O +ATOM 3507 H1 TIP3 2311 8.815 1.495 5.739 0.00 0.00 WT0 H +ATOM 3508 H2 TIP3 2311 9.505 1.745 4.419 0.00 0.00 WT0 H +ATOM 3509 OH2 TIP3 2313 -14.743 -13.691 17.849 0.00 0.00 WT0 O +ATOM 3510 H1 TIP3 2313 -14.803 -14.441 18.439 0.00 0.00 WT0 H +ATOM 3511 H2 TIP3 2313 -15.563 -13.691 17.369 0.00 0.00 WT0 H +ATOM 3512 OH2 TIP3 2316 -15.600 22.470 2.637 0.00 0.00 WT0 O +ATOM 3513 H1 TIP3 2316 -16.050 21.860 2.057 0.00 0.00 WT0 H +ATOM 3514 H2 TIP3 2316 -15.290 23.170 2.057 0.00 0.00 WT0 H +ATOM 3515 OH2 TIP3 2317 -24.187 -3.327 7.519 0.00 0.00 WT0 O +ATOM 3516 H1 TIP3 2317 -24.197 -2.387 7.359 0.00 0.00 WT0 H +ATOM 3517 H2 TIP3 2317 -24.017 -3.717 6.659 0.00 0.00 WT0 H +ATOM 3518 OH2 TIP3 2318 -25.264 18.710 22.429 0.00 0.00 WT0 O +ATOM 3519 H1 TIP3 2318 -25.374 18.540 21.499 0.00 0.00 WT0 H +ATOM 3520 H2 TIP3 2318 -24.374 18.410 22.619 0.00 0.00 WT0 H +ATOM 3521 OH2 TIP3 2321 -21.414 -11.442 -7.027 0.00 0.00 WT0 O +ATOM 3522 H1 TIP3 2321 -22.194 -11.982 -6.907 0.00 0.00 WT0 H +ATOM 3523 H2 TIP3 2321 -20.824 -11.992 -7.537 0.00 0.00 WT0 H +ATOM 3524 OH2 TIP3 2322 -18.716 24.725 -22.224 0.00 0.00 WT0 O +ATOM 3525 H1 TIP3 2322 -19.586 24.745 -22.634 0.00 0.00 WT0 H +ATOM 3526 H2 TIP3 2322 -18.896 24.695 -21.284 0.00 0.00 WT0 H +ATOM 3527 OH2 TIP3 2323 1.504 -13.660 18.746 0.00 0.00 WT0 O +ATOM 3528 H1 TIP3 2323 1.984 -14.400 18.376 0.00 0.00 WT0 H +ATOM 3529 H2 TIP3 2323 2.184 -13.070 19.066 0.00 0.00 WT0 H +ATOM 3530 OH2 TIP3 2324 3.179 9.213 18.545 0.00 0.00 WT0 O +ATOM 3531 H1 TIP3 2324 2.979 8.393 18.995 0.00 0.00 WT0 H +ATOM 3532 H2 TIP3 2324 2.479 9.303 17.895 0.00 0.00 WT0 H +ATOM 3533 OH2 TIP3 2325 19.139 20.628 9.245 0.00 0.00 WT0 O +ATOM 3534 H1 TIP3 2325 19.649 19.958 9.705 0.00 0.00 WT0 H +ATOM 3535 H2 TIP3 2325 19.229 21.418 9.765 0.00 0.00 WT0 H +ATOM 3536 OH2 TIP3 2326 -11.526 22.916 16.672 0.00 0.00 WT0 O +ATOM 3537 H1 TIP3 2326 -10.786 22.876 16.062 0.00 0.00 WT0 H +ATOM 3538 H2 TIP3 2326 -11.636 23.846 16.862 0.00 0.00 WT0 H +ATOM 3539 OH2 TIP3 2327 -20.046 -8.171 -17.641 0.00 0.00 WT0 O +ATOM 3540 H1 TIP3 2327 -20.786 -7.971 -18.201 0.00 0.00 WT0 H +ATOM 3541 H2 TIP3 2327 -19.976 -9.131 -17.661 0.00 0.00 WT0 H +ATOM 3542 OH2 TIP3 2329 5.963 -23.142 24.579 0.00 0.00 WT0 O +ATOM 3543 H1 TIP3 2329 6.563 -22.622 25.119 0.00 0.00 WT0 H +ATOM 3544 H2 TIP3 2329 5.893 -22.642 23.759 0.00 0.00 WT0 H +ATOM 3545 OH2 TIP3 2331 -6.554 6.892 -20.154 0.00 0.00 WT0 O +ATOM 3546 H1 TIP3 2331 -5.804 6.352 -20.384 0.00 0.00 WT0 H +ATOM 3547 H2 TIP3 2331 -6.324 7.772 -20.444 0.00 0.00 WT0 H +ATOM 3548 OH2 TIP3 2332 -9.327 18.381 22.471 0.00 0.00 WT0 O +ATOM 3549 H1 TIP3 2332 -8.667 17.931 23.001 0.00 0.00 WT0 H +ATOM 3550 H2 TIP3 2332 -10.117 17.861 22.591 0.00 0.00 WT0 H +ATOM 3551 OH2 TIP3 2333 -1.973 24.662 6.732 0.00 0.00 WT0 O +ATOM 3552 H1 TIP3 2333 -2.623 24.022 6.452 0.00 0.00 WT0 H +ATOM 3553 H2 TIP3 2333 -2.103 25.412 6.152 0.00 0.00 WT0 H +ATOM 3554 OH2 TIP3 2335 22.995 3.526 19.449 0.00 0.00 WT0 O +ATOM 3555 H1 TIP3 2335 23.555 3.396 18.679 0.00 0.00 WT0 H +ATOM 3556 H2 TIP3 2335 23.495 4.126 20.009 0.00 0.00 WT0 H +ATOM 3557 OH2 TIP3 2336 5.293 -11.627 -1.575 0.00 0.00 WT0 O +ATOM 3558 H1 TIP3 2336 4.693 -10.917 -1.795 0.00 0.00 WT0 H +ATOM 3559 H2 TIP3 2336 6.033 -11.207 -1.155 0.00 0.00 WT0 H +ATOM 3560 OH2 TIP3 2337 10.665 -6.762 22.687 0.00 0.00 WT0 O +ATOM 3561 H1 TIP3 2337 10.435 -6.052 22.087 0.00 0.00 WT0 H +ATOM 3562 H2 TIP3 2337 11.585 -6.612 22.887 0.00 0.00 WT0 H +ATOM 3563 OH2 TIP3 2338 23.921 -11.395 9.591 0.00 0.00 WT0 O +ATOM 3564 H1 TIP3 2338 23.561 -10.845 10.281 0.00 0.00 WT0 H +ATOM 3565 H2 TIP3 2338 24.761 -11.685 9.921 0.00 0.00 WT0 H +ATOM 3566 OH2 TIP3 2340 19.133 -20.925 6.112 0.00 0.00 WT0 O +ATOM 3567 H1 TIP3 2340 19.963 -20.575 5.792 0.00 0.00 WT0 H +ATOM 3568 H2 TIP3 2340 19.023 -21.755 5.642 0.00 0.00 WT0 H +ATOM 3569 OH2 TIP3 2341 -6.077 17.787 10.732 0.00 0.00 WT0 O +ATOM 3570 H1 TIP3 2341 -6.267 18.227 11.562 0.00 0.00 WT0 H +ATOM 3571 H2 TIP3 2341 -5.457 18.367 10.282 0.00 0.00 WT0 H +ATOM 3572 OH2 TIP3 2343 9.848 9.729 -24.304 0.00 0.00 WT0 O +ATOM 3573 H1 TIP3 2343 9.838 10.309 -25.074 0.00 0.00 WT0 H +ATOM 3574 H2 TIP3 2343 8.948 9.429 -24.214 0.00 0.00 WT0 H +ATOM 3575 OH2 TIP3 2344 16.209 -18.789 20.425 0.00 0.00 WT0 O +ATOM 3576 H1 TIP3 2344 16.589 -18.009 20.025 0.00 0.00 WT0 H +ATOM 3577 H2 TIP3 2344 16.629 -19.519 19.975 0.00 0.00 WT0 H +ATOM 3578 OH2 TIP3 2345 21.816 -1.021 -6.101 0.00 0.00 WT0 O +ATOM 3579 H1 TIP3 2345 20.926 -0.821 -5.831 0.00 0.00 WT0 H +ATOM 3580 H2 TIP3 2345 22.126 -1.651 -5.461 0.00 0.00 WT0 H +ATOM 3581 OH2 TIP3 2346 -18.701 21.564 20.395 0.00 0.00 WT0 O +ATOM 3582 H1 TIP3 2346 -17.871 21.084 20.465 0.00 0.00 WT0 H +ATOM 3583 H2 TIP3 2346 -18.461 22.394 19.995 0.00 0.00 WT0 H +ATOM 3584 OH2 TIP3 2351 21.020 5.505 5.193 0.00 0.00 WT0 O +ATOM 3585 H1 TIP3 2351 21.840 5.435 4.713 0.00 0.00 WT0 H +ATOM 3586 H2 TIP3 2351 20.350 5.625 4.513 0.00 0.00 WT0 H +ATOM 3587 OH2 TIP3 2352 24.597 -12.677 -12.241 0.00 0.00 WT0 O +ATOM 3588 H1 TIP3 2352 24.957 -12.607 -13.121 0.00 0.00 WT0 H +ATOM 3589 H2 TIP3 2352 24.987 -13.477 -11.881 0.00 0.00 WT0 H +ATOM 3590 OH2 TIP3 2354 -7.260 2.315 -15.940 0.00 0.00 WT0 O +ATOM 3591 H1 TIP3 2354 -8.180 2.415 -16.160 0.00 0.00 WT0 H +ATOM 3592 H2 TIP3 2354 -7.060 3.065 -15.390 0.00 0.00 WT0 H +ATOM 3593 OH2 TIP3 2355 7.895 8.892 13.609 0.00 0.00 WT0 O +ATOM 3594 H1 TIP3 2355 7.455 9.662 13.959 0.00 0.00 WT0 H +ATOM 3595 H2 TIP3 2355 7.425 8.152 13.999 0.00 0.00 WT0 H +ATOM 3596 OH2 TIP3 2357 6.359 0.116 -11.431 0.00 0.00 WT0 O +ATOM 3597 H1 TIP3 2357 6.389 1.036 -11.171 0.00 0.00 WT0 H +ATOM 3598 H2 TIP3 2357 7.009 -0.304 -10.861 0.00 0.00 WT0 H +ATOM 3599 OH2 TIP3 2358 11.087 1.081 -10.804 0.00 0.00 WT0 O +ATOM 3600 H1 TIP3 2358 11.287 2.021 -10.794 0.00 0.00 WT0 H +ATOM 3601 H2 TIP3 2358 10.137 1.041 -10.744 0.00 0.00 WT0 H +ATOM 3602 OH2 TIP3 2359 24.337 6.349 -4.778 0.00 0.00 WT0 O +ATOM 3603 H1 TIP3 2359 23.387 6.309 -4.888 0.00 0.00 WT0 H +ATOM 3604 H2 TIP3 2359 24.577 7.229 -5.068 0.00 0.00 WT0 H +ATOM 3605 OH2 TIP3 2361 -9.702 -16.249 5.695 0.00 0.00 WT0 O +ATOM 3606 H1 TIP3 2361 -9.332 -16.109 4.825 0.00 0.00 WT0 H +ATOM 3607 H2 TIP3 2361 -9.472 -15.459 6.185 0.00 0.00 WT0 H +ATOM 3608 OH2 TIP3 2362 -18.296 -9.780 -0.699 0.00 0.00 WT0 O +ATOM 3609 H1 TIP3 2362 -18.016 -8.940 -0.339 0.00 0.00 WT0 H +ATOM 3610 H2 TIP3 2362 -18.166 -10.410 0.001 0.00 0.00 WT0 H +ATOM 3611 OH2 TIP3 2363 2.503 -24.357 -19.609 0.00 0.00 WT0 O +ATOM 3612 H1 TIP3 2363 1.703 -24.867 -19.489 0.00 0.00 WT0 H +ATOM 3613 H2 TIP3 2363 3.023 -24.887 -20.209 0.00 0.00 WT0 H +ATOM 3614 OH2 TIP3 2364 -0.127 3.543 -17.838 0.00 0.00 WT0 O +ATOM 3615 H1 TIP3 2364 0.373 3.103 -17.148 0.00 0.00 WT0 H +ATOM 3616 H2 TIP3 2364 0.453 3.503 -18.598 0.00 0.00 WT0 H +ATOM 3617 OH2 TIP3 2365 0.134 -1.069 -18.276 0.00 0.00 WT0 O +ATOM 3618 H1 TIP3 2365 -0.326 -0.299 -17.926 0.00 0.00 WT0 H +ATOM 3619 H2 TIP3 2365 -0.566 -1.709 -18.426 0.00 0.00 WT0 H +ATOM 3620 OH2 TIP3 2366 21.736 11.185 -16.808 0.00 0.00 WT0 O +ATOM 3621 H1 TIP3 2366 22.346 10.835 -16.168 0.00 0.00 WT0 H +ATOM 3622 H2 TIP3 2366 21.316 11.925 -16.378 0.00 0.00 WT0 H +ATOM 3623 OH2 TIP3 2368 21.311 -16.570 -8.586 0.00 0.00 WT0 O +ATOM 3624 H1 TIP3 2368 20.601 -16.100 -8.126 0.00 0.00 WT0 H +ATOM 3625 H2 TIP3 2368 20.881 -17.340 -8.966 0.00 0.00 WT0 H +ATOM 3626 OH2 TIP3 2376 -1.899 -0.730 19.122 0.00 0.00 WT0 O +ATOM 3627 H1 TIP3 2376 -2.739 -0.910 18.702 0.00 0.00 WT0 H +ATOM 3628 H2 TIP3 2376 -1.549 -1.590 19.352 0.00 0.00 WT0 H +ATOM 3629 OH2 TIP3 2377 9.370 -14.608 2.887 0.00 0.00 WT0 O +ATOM 3630 H1 TIP3 2377 9.770 -15.478 2.897 0.00 0.00 WT0 H +ATOM 3631 H2 TIP3 2377 8.450 -14.778 2.677 0.00 0.00 WT0 H +ATOM 3632 OH2 TIP3 2380 16.304 22.801 6.211 0.00 0.00 WT0 O +ATOM 3633 H1 TIP3 2380 15.564 23.101 6.741 0.00 0.00 WT0 H +ATOM 3634 H2 TIP3 2380 17.074 23.061 6.711 0.00 0.00 WT0 H +ATOM 3635 OH2 TIP3 2383 -8.069 -18.703 -18.304 0.00 0.00 WT0 O +ATOM 3636 H1 TIP3 2383 -8.099 -19.503 -18.824 0.00 0.00 WT0 H +ATOM 3637 H2 TIP3 2383 -8.849 -18.753 -17.744 0.00 0.00 WT0 H +ATOM 3638 OH2 TIP3 2384 5.465 -24.631 -8.412 0.00 0.00 WT0 O +ATOM 3639 H1 TIP3 2384 6.325 -25.051 -8.452 0.00 0.00 WT0 H +ATOM 3640 H2 TIP3 2384 5.665 -23.701 -8.332 0.00 0.00 WT0 H +ATOM 3641 OH2 TIP3 2385 0.634 -5.978 -9.411 0.00 0.00 WT0 O +ATOM 3642 H1 TIP3 2385 0.854 -5.898 -8.481 0.00 0.00 WT0 H +ATOM 3643 H2 TIP3 2385 0.464 -5.088 -9.691 0.00 0.00 WT0 H +ATOM 3644 OH2 TIP3 2386 -1.660 9.152 6.748 0.00 0.00 WT0 O +ATOM 3645 H1 TIP3 2386 -0.940 8.912 7.328 0.00 0.00 WT0 H +ATOM 3646 H2 TIP3 2386 -2.130 8.332 6.608 0.00 0.00 WT0 H +ATOM 3647 OH2 TIP3 2387 20.460 -8.627 -0.946 0.00 0.00 WT0 O +ATOM 3648 H1 TIP3 2387 20.160 -8.437 -1.836 0.00 0.00 WT0 H +ATOM 3649 H2 TIP3 2387 20.000 -7.987 -0.406 0.00 0.00 WT0 H +ATOM 3650 OH2 TIP3 2392 10.348 -0.427 -5.913 0.00 0.00 WT0 O +ATOM 3651 H1 TIP3 2392 10.158 0.153 -6.643 0.00 0.00 WT0 H +ATOM 3652 H2 TIP3 2392 10.438 0.163 -5.163 0.00 0.00 WT0 H +ATOM 3653 OH2 TIP3 2395 -24.754 -10.089 20.327 0.00 0.00 WT0 O +ATOM 3654 H1 TIP3 2395 -24.684 -11.029 20.197 0.00 0.00 WT0 H +ATOM 3655 H2 TIP3 2395 -25.674 -9.939 20.507 0.00 0.00 WT0 H +ATOM 3656 OH2 TIP3 2397 -8.205 13.260 19.760 0.00 0.00 WT0 O +ATOM 3657 H1 TIP3 2397 -7.635 13.190 20.530 0.00 0.00 WT0 H +ATOM 3658 H2 TIP3 2397 -7.615 13.520 19.050 0.00 0.00 WT0 H +ATOM 3659 OH2 TIP3 2399 1.499 -20.291 19.733 0.00 0.00 WT0 O +ATOM 3660 H1 TIP3 2399 1.559 -20.711 20.593 0.00 0.00 WT0 H +ATOM 3661 H2 TIP3 2399 1.359 -21.011 19.123 0.00 0.00 WT0 H +ATOM 3662 OH2 TIP3 2400 3.684 15.009 -1.731 0.00 0.00 WT0 O +ATOM 3663 H1 TIP3 2400 3.734 15.819 -2.251 0.00 0.00 WT0 H +ATOM 3664 H2 TIP3 2400 2.824 14.649 -1.951 0.00 0.00 WT0 H +ATOM 3665 OH2 TIP3 2403 22.306 21.039 -18.633 0.00 0.00 WT0 O +ATOM 3666 H1 TIP3 2403 22.826 20.359 -19.063 0.00 0.00 WT0 H +ATOM 3667 H2 TIP3 2403 22.896 21.379 -17.953 0.00 0.00 WT0 H +ATOM 3668 OH2 TIP3 2404 4.016 7.484 21.007 0.00 0.00 WT0 O +ATOM 3669 H1 TIP3 2404 3.166 7.234 21.367 0.00 0.00 WT0 H +ATOM 3670 H2 TIP3 2404 4.066 7.024 20.167 0.00 0.00 WT0 H +ATOM 3671 OH2 TIP3 2405 17.300 -22.790 -5.377 0.00 0.00 WT0 O +ATOM 3672 H1 TIP3 2405 17.530 -23.170 -4.527 0.00 0.00 WT0 H +ATOM 3673 H2 TIP3 2405 17.910 -22.050 -5.477 0.00 0.00 WT0 H +ATOM 3674 OH2 TIP3 2406 -0.751 -16.808 -0.820 0.00 0.00 WT0 O +ATOM 3675 H1 TIP3 2406 -0.401 -16.568 -1.680 0.00 0.00 WT0 H +ATOM 3676 H2 TIP3 2406 -0.161 -16.388 -0.200 0.00 0.00 WT0 H +ATOM 3677 OH2 TIP3 2407 10.355 -15.376 -22.818 0.00 0.00 WT0 O +ATOM 3678 H1 TIP3 2407 11.135 -15.326 -23.358 0.00 0.00 WT0 H +ATOM 3679 H2 TIP3 2407 9.795 -16.016 -23.248 0.00 0.00 WT0 H +ATOM 3680 OH2 TIP3 2408 10.877 -20.911 14.218 0.00 0.00 WT0 O +ATOM 3681 H1 TIP3 2408 10.527 -21.121 15.088 0.00 0.00 WT0 H +ATOM 3682 H2 TIP3 2408 11.727 -21.351 14.198 0.00 0.00 WT0 H +ATOM 3683 OH2 TIP3 2409 10.999 22.817 -4.631 0.00 0.00 WT0 O +ATOM 3684 H1 TIP3 2409 11.269 21.897 -4.631 0.00 0.00 WT0 H +ATOM 3685 H2 TIP3 2409 11.499 23.207 -5.351 0.00 0.00 WT0 H +ATOM 3686 OH2 TIP3 2411 20.928 13.390 -12.205 0.00 0.00 WT0 O +ATOM 3687 H1 TIP3 2411 21.288 14.260 -12.385 0.00 0.00 WT0 H +ATOM 3688 H2 TIP3 2411 20.918 13.320 -11.255 0.00 0.00 WT0 H +ATOM 3689 OH2 TIP3 2412 2.249 -5.469 -24.751 0.00 0.00 WT0 O +ATOM 3690 H1 TIP3 2412 3.039 -5.639 -24.221 0.00 0.00 WT0 H +ATOM 3691 H2 TIP3 2412 2.049 -6.319 -25.161 0.00 0.00 WT0 H +ATOM 3692 OH2 TIP3 2416 24.755 18.940 19.711 0.00 0.00 WT0 O +ATOM 3693 H1 TIP3 2416 23.925 19.400 19.601 0.00 0.00 WT0 H +ATOM 3694 H2 TIP3 2416 25.145 18.940 18.831 0.00 0.00 WT0 H +ATOM 3695 OH2 TIP3 2417 12.534 -9.847 -22.177 0.00 0.00 WT0 O +ATOM 3696 H1 TIP3 2417 13.434 -10.167 -22.077 0.00 0.00 WT0 H +ATOM 3697 H2 TIP3 2417 12.124 -10.457 -22.797 0.00 0.00 WT0 H +ATOM 3698 OH2 TIP3 2419 -2.112 23.000 -15.062 0.00 0.00 WT0 O +ATOM 3699 H1 TIP3 2419 -1.532 23.670 -15.412 0.00 0.00 WT0 H +ATOM 3700 H2 TIP3 2419 -1.602 22.200 -15.082 0.00 0.00 WT0 H +ATOM 3701 OH2 TIP3 2421 -24.537 19.782 -0.933 0.00 0.00 WT0 O +ATOM 3702 H1 TIP3 2421 -25.437 20.102 -0.983 0.00 0.00 WT0 H +ATOM 3703 H2 TIP3 2421 -24.367 19.672 -0.003 0.00 0.00 WT0 H +ATOM 3704 OH2 TIP3 2422 14.176 -23.238 -19.903 0.00 0.00 WT0 O +ATOM 3705 H1 TIP3 2422 13.996 -23.798 -20.653 0.00 0.00 WT0 H +ATOM 3706 H2 TIP3 2422 13.736 -23.668 -19.163 0.00 0.00 WT0 H +ATOM 3707 OH2 TIP3 2423 -22.074 -3.881 18.847 0.00 0.00 WT0 O +ATOM 3708 H1 TIP3 2423 -21.464 -3.851 18.107 0.00 0.00 WT0 H +ATOM 3709 H2 TIP3 2423 -22.504 -4.741 18.767 0.00 0.00 WT0 H +ATOM 3710 OH2 TIP3 2424 21.331 22.806 6.562 0.00 0.00 WT0 O +ATOM 3711 H1 TIP3 2424 20.821 23.586 6.372 0.00 0.00 WT0 H +ATOM 3712 H2 TIP3 2424 21.371 22.336 5.722 0.00 0.00 WT0 H +ATOM 3713 OH2 TIP3 2425 2.861 -18.071 -1.104 0.00 0.00 WT0 O +ATOM 3714 H1 TIP3 2425 3.791 -18.081 -1.334 0.00 0.00 WT0 H +ATOM 3715 H2 TIP3 2425 2.571 -17.181 -1.284 0.00 0.00 WT0 H +ATOM 3716 OH2 TIP3 2427 -1.779 7.361 22.449 0.00 0.00 WT0 O +ATOM 3717 H1 TIP3 2427 -1.669 7.971 21.729 0.00 0.00 WT0 H +ATOM 3718 H2 TIP3 2427 -2.709 7.141 22.449 0.00 0.00 WT0 H +ATOM 3719 OH2 TIP3 2428 15.069 -16.764 3.872 0.00 0.00 WT0 O +ATOM 3720 H1 TIP3 2428 14.789 -17.504 4.402 0.00 0.00 WT0 H +ATOM 3721 H2 TIP3 2428 15.209 -16.054 4.502 0.00 0.00 WT0 H +ATOM 3722 OH2 TIP3 2429 8.474 17.463 -7.878 0.00 0.00 WT0 O +ATOM 3723 H1 TIP3 2429 9.304 17.603 -8.338 0.00 0.00 WT0 H +ATOM 3724 H2 TIP3 2429 7.964 16.923 -8.478 0.00 0.00 WT0 H +ATOM 3725 OH2 TIP3 2430 -7.702 -8.255 -23.428 0.00 0.00 WT0 O +ATOM 3726 H1 TIP3 2430 -7.962 -7.385 -23.138 0.00 0.00 WT0 H +ATOM 3727 H2 TIP3 2430 -6.822 -8.375 -23.068 0.00 0.00 WT0 H +ATOM 3728 OH2 TIP3 2432 12.204 -15.087 -6.979 0.00 0.00 WT0 O +ATOM 3729 H1 TIP3 2432 12.014 -14.157 -6.849 0.00 0.00 WT0 H +ATOM 3730 H2 TIP3 2432 11.674 -15.347 -7.739 0.00 0.00 WT0 H +ATOM 3731 OH2 TIP3 2436 -2.630 18.353 17.092 0.00 0.00 WT0 O +ATOM 3732 H1 TIP3 2436 -3.520 18.393 17.432 0.00 0.00 WT0 H +ATOM 3733 H2 TIP3 2436 -2.290 19.243 17.222 0.00 0.00 WT0 H +ATOM 3734 OH2 TIP3 2440 -17.936 -8.534 19.342 0.00 0.00 WT0 O +ATOM 3735 H1 TIP3 2440 -18.466 -7.954 18.792 0.00 0.00 WT0 H +ATOM 3736 H2 TIP3 2440 -17.336 -8.964 18.722 0.00 0.00 WT0 H +ATOM 3737 OH2 TIP3 2441 10.397 -12.804 -6.409 0.00 0.00 WT0 O +ATOM 3738 H1 TIP3 2441 9.927 -12.004 -6.159 0.00 0.00 WT0 H +ATOM 3739 H2 TIP3 2441 10.237 -12.894 -7.349 0.00 0.00 WT0 H +ATOM 3740 OH2 TIP3 2442 -13.004 23.854 -24.688 0.00 0.00 WT0 O +ATOM 3741 H1 TIP3 2442 -12.924 24.754 -25.008 0.00 0.00 WT0 H +ATOM 3742 H2 TIP3 2442 -13.154 23.944 -23.748 0.00 0.00 WT0 H +ATOM 3743 OH2 TIP3 2443 5.415 -9.105 -1.703 0.00 0.00 WT0 O +ATOM 3744 H1 TIP3 2443 4.535 -9.295 -1.363 0.00 0.00 WT0 H +ATOM 3745 H2 TIP3 2443 5.885 -8.735 -0.953 0.00 0.00 WT0 H +ATOM 3746 OH2 TIP3 2446 24.521 0.590 24.709 0.00 0.00 WT0 O +ATOM 3747 H1 TIP3 2446 24.681 1.470 24.359 0.00 0.00 WT0 H +ATOM 3748 H2 TIP3 2446 24.791 0.010 23.999 0.00 0.00 WT0 H +ATOM 3749 OH2 TIP3 2448 3.806 -0.483 -11.478 0.00 0.00 WT0 O +ATOM 3750 H1 TIP3 2448 3.536 -1.033 -12.218 0.00 0.00 WT0 H +ATOM 3751 H2 TIP3 2448 4.766 -0.523 -11.478 0.00 0.00 WT0 H +ATOM 3752 OH2 TIP3 2449 15.450 -5.426 -1.594 0.00 0.00 WT0 O +ATOM 3753 H1 TIP3 2449 15.200 -6.106 -2.214 0.00 0.00 WT0 H +ATOM 3754 H2 TIP3 2449 14.740 -5.396 -0.954 0.00 0.00 WT0 H +ATOM 3755 OH2 TIP3 2450 11.634 -4.856 -4.587 0.00 0.00 WT0 O +ATOM 3756 H1 TIP3 2450 12.484 -5.066 -4.977 0.00 0.00 WT0 H +ATOM 3757 H2 TIP3 2450 11.504 -5.536 -3.927 0.00 0.00 WT0 H +ATOM 3758 OH2 TIP3 2452 14.408 23.318 14.320 0.00 0.00 WT0 O +ATOM 3759 H1 TIP3 2452 15.068 23.498 13.660 0.00 0.00 WT0 H +ATOM 3760 H2 TIP3 2452 14.678 22.488 14.710 0.00 0.00 WT0 H +ATOM 3761 OH2 TIP3 2453 -23.382 -12.705 23.740 0.00 0.00 WT0 O +ATOM 3762 H1 TIP3 2453 -22.882 -11.895 23.620 0.00 0.00 WT0 H +ATOM 3763 H2 TIP3 2453 -23.202 -13.215 22.940 0.00 0.00 WT0 H +ATOM 3764 OH2 TIP3 2454 -15.484 9.648 -0.327 0.00 0.00 WT0 O +ATOM 3765 H1 TIP3 2454 -15.074 9.068 -0.957 0.00 0.00 WT0 H +ATOM 3766 H2 TIP3 2454 -15.214 9.308 0.523 0.00 0.00 WT0 H +ATOM 3767 OH2 TIP3 2458 5.930 -23.853 7.523 0.00 0.00 WT0 O +ATOM 3768 H1 TIP3 2458 5.760 -24.773 7.713 0.00 0.00 WT0 H +ATOM 3769 H2 TIP3 2458 6.150 -23.473 8.373 0.00 0.00 WT0 H +ATOM 3770 OH2 TIP3 2459 -9.740 22.295 23.309 0.00 0.00 WT0 O +ATOM 3771 H1 TIP3 2459 -9.620 22.055 22.389 0.00 0.00 WT0 H +ATOM 3772 H2 TIP3 2459 -10.060 23.195 23.279 0.00 0.00 WT0 H +ATOM 3773 OH2 TIP3 2460 -13.054 -23.888 12.763 0.00 0.00 WT0 O +ATOM 3774 H1 TIP3 2460 -13.244 -24.328 13.593 0.00 0.00 WT0 H +ATOM 3775 H2 TIP3 2460 -12.114 -23.708 12.793 0.00 0.00 WT0 H +ATOM 3776 OH2 TIP3 2462 0.691 -7.057 -14.871 0.00 0.00 WT0 O +ATOM 3777 H1 TIP3 2462 1.511 -6.587 -15.031 0.00 0.00 WT0 H +ATOM 3778 H2 TIP3 2462 0.011 -6.387 -14.961 0.00 0.00 WT0 H +ATOM 3779 OH2 TIP3 2463 5.648 -11.464 11.669 0.00 0.00 WT0 O +ATOM 3780 H1 TIP3 2463 6.128 -11.074 10.939 0.00 0.00 WT0 H +ATOM 3781 H2 TIP3 2463 4.958 -11.984 11.259 0.00 0.00 WT0 H +ATOM 3782 OH2 TIP3 2464 -5.552 -2.252 -15.557 0.00 0.00 WT0 O +ATOM 3783 H1 TIP3 2464 -5.182 -2.292 -16.437 0.00 0.00 WT0 H +ATOM 3784 H2 TIP3 2464 -4.922 -1.742 -15.047 0.00 0.00 WT0 H +ATOM 3785 OH2 TIP3 2466 0.145 21.720 -5.352 0.00 0.00 WT0 O +ATOM 3786 H1 TIP3 2466 0.095 22.600 -5.722 0.00 0.00 WT0 H +ATOM 3787 H2 TIP3 2466 0.495 21.170 -6.062 0.00 0.00 WT0 H +ATOM 3788 OH2 TIP3 2467 11.400 -15.041 13.909 0.00 0.00 WT0 O +ATOM 3789 H1 TIP3 2467 10.870 -15.701 13.459 0.00 0.00 WT0 H +ATOM 3790 H2 TIP3 2467 10.770 -14.381 14.189 0.00 0.00 WT0 H +ATOM 3791 OH2 TIP3 2471 -8.536 8.024 -1.707 0.00 0.00 WT0 O +ATOM 3792 H1 TIP3 2471 -8.756 7.374 -2.367 0.00 0.00 WT0 H +ATOM 3793 H2 TIP3 2471 -8.556 8.854 -2.177 0.00 0.00 WT0 H +ATOM 3794 OH2 TIP3 2474 18.704 12.926 4.089 0.00 0.00 WT0 O +ATOM 3795 H1 TIP3 2474 19.474 12.966 4.659 0.00 0.00 WT0 H +ATOM 3796 H2 TIP3 2474 18.064 13.516 4.499 0.00 0.00 WT0 H +ATOM 3797 OH2 TIP3 2479 -3.487 0.245 -7.401 0.00 0.00 WT0 O +ATOM 3798 H1 TIP3 2479 -3.837 0.705 -8.161 0.00 0.00 WT0 H +ATOM 3799 H2 TIP3 2479 -2.757 -0.275 -7.741 0.00 0.00 WT0 H +ATOM 3800 OH2 TIP3 2480 2.408 8.598 9.980 0.00 0.00 WT0 O +ATOM 3801 H1 TIP3 2480 2.698 9.478 9.740 0.00 0.00 WT0 H +ATOM 3802 H2 TIP3 2480 2.578 8.068 9.210 0.00 0.00 WT0 H +ATOM 3803 OH2 TIP3 2482 1.195 -16.101 -5.793 0.00 0.00 WT0 O +ATOM 3804 H1 TIP3 2482 2.015 -16.281 -5.333 0.00 0.00 WT0 H +ATOM 3805 H2 TIP3 2482 1.265 -16.581 -6.613 0.00 0.00 WT0 H +ATOM 3806 OH2 TIP3 2483 -13.375 -7.103 13.040 0.00 0.00 WT0 O +ATOM 3807 H1 TIP3 2483 -14.215 -6.733 13.320 0.00 0.00 WT0 H +ATOM 3808 H2 TIP3 2483 -13.545 -8.033 12.930 0.00 0.00 WT0 H +ATOM 3809 OH2 TIP3 2484 18.467 7.496 24.048 0.00 0.00 WT0 O +ATOM 3810 H1 TIP3 2484 17.947 8.286 24.208 0.00 0.00 WT0 H +ATOM 3811 H2 TIP3 2484 19.117 7.496 24.748 0.00 0.00 WT0 H +ATOM 3812 OH2 TIP3 2485 -8.609 15.735 -4.760 0.00 0.00 WT0 O +ATOM 3813 H1 TIP3 2485 -8.029 16.295 -4.230 0.00 0.00 WT0 H +ATOM 3814 H2 TIP3 2485 -8.239 15.775 -5.640 0.00 0.00 WT0 H +ATOM 3815 OH2 TIP3 2486 22.646 11.371 22.041 0.00 0.00 WT0 O +ATOM 3816 H1 TIP3 2486 23.436 10.851 22.191 0.00 0.00 WT0 H +ATOM 3817 H2 TIP3 2486 22.256 11.461 22.911 0.00 0.00 WT0 H +ATOM 3818 OH2 TIP3 2487 23.194 11.098 17.952 0.00 0.00 WT0 O +ATOM 3819 H1 TIP3 2487 22.794 11.818 17.462 0.00 0.00 WT0 H +ATOM 3820 H2 TIP3 2487 22.794 11.148 18.822 0.00 0.00 WT0 H +ATOM 3821 OH2 TIP3 2489 -9.132 1.127 -8.691 0.00 0.00 WT0 O +ATOM 3822 H1 TIP3 2489 -9.202 0.237 -8.351 0.00 0.00 WT0 H +ATOM 3823 H2 TIP3 2489 -9.862 1.207 -9.301 0.00 0.00 WT0 H +ATOM 3824 OH2 TIP3 2492 10.064 3.586 -16.840 0.00 0.00 WT0 O +ATOM 3825 H1 TIP3 2492 10.544 2.766 -16.970 0.00 0.00 WT0 H +ATOM 3826 H2 TIP3 2492 9.744 3.816 -17.710 0.00 0.00 WT0 H +ATOM 3827 OH2 TIP3 2497 4.524 -6.998 13.839 0.00 0.00 WT0 O +ATOM 3828 H1 TIP3 2497 3.684 -6.568 14.029 0.00 0.00 WT0 H +ATOM 3829 H2 TIP3 2497 5.054 -6.828 14.619 0.00 0.00 WT0 H +ATOM 3830 OH2 TIP3 2500 -21.987 -5.045 -23.365 0.00 0.00 WT0 O +ATOM 3831 H1 TIP3 2500 -22.507 -5.075 -22.565 0.00 0.00 WT0 H +ATOM 3832 H2 TIP3 2500 -21.707 -4.135 -23.445 0.00 0.00 WT0 H +ATOM 3833 OH2 TIP3 2501 19.927 25.289 -19.933 0.00 0.00 WT0 O +ATOM 3834 H1 TIP3 2501 20.697 25.099 -19.403 0.00 0.00 WT0 H +ATOM 3835 H2 TIP3 2501 19.187 25.019 -19.393 0.00 0.00 WT0 H +ATOM 3836 OH2 TIP3 2503 -5.063 16.679 3.399 0.00 0.00 WT0 O +ATOM 3837 H1 TIP3 2503 -4.643 16.839 2.549 0.00 0.00 WT0 H +ATOM 3838 H2 TIP3 2503 -4.383 16.269 3.929 0.00 0.00 WT0 H +ATOM 3839 OH2 TIP3 2504 -16.099 -15.351 2.507 0.00 0.00 WT0 O +ATOM 3840 H1 TIP3 2504 -15.199 -15.581 2.287 0.00 0.00 WT0 H +ATOM 3841 H2 TIP3 2504 -16.539 -15.251 1.667 0.00 0.00 WT0 H +ATOM 3842 OH2 TIP3 2505 6.275 -23.301 10.423 0.00 0.00 WT0 O +ATOM 3843 H1 TIP3 2505 5.415 -23.501 10.803 0.00 0.00 WT0 H +ATOM 3844 H2 TIP3 2505 6.905 -23.671 11.053 0.00 0.00 WT0 H +ATOM 3845 OH2 TIP3 2506 12.926 2.893 11.270 0.00 0.00 WT0 O +ATOM 3846 H1 TIP3 2506 13.236 2.593 12.120 0.00 0.00 WT0 H +ATOM 3847 H2 TIP3 2506 11.976 3.003 11.390 0.00 0.00 WT0 H +ATOM 3848 OH2 TIP3 2508 10.483 15.294 -12.802 0.00 0.00 WT0 O +ATOM 3849 H1 TIP3 2508 9.743 15.864 -12.572 0.00 0.00 WT0 H +ATOM 3850 H2 TIP3 2508 11.063 15.344 -12.042 0.00 0.00 WT0 H +ATOM 3851 OH2 TIP3 2509 -21.467 -7.670 -21.887 0.00 0.00 WT0 O +ATOM 3852 H1 TIP3 2509 -22.187 -7.430 -22.477 0.00 0.00 WT0 H +ATOM 3853 H2 TIP3 2509 -20.777 -7.040 -22.077 0.00 0.00 WT0 H +ATOM 3854 OH2 TIP3 2511 -4.124 -20.842 -16.454 0.00 0.00 WT0 O +ATOM 3855 H1 TIP3 2511 -4.494 -19.952 -16.444 0.00 0.00 WT0 H +ATOM 3856 H2 TIP3 2511 -3.314 -20.762 -16.964 0.00 0.00 WT0 H +ATOM 3857 OH2 TIP3 2512 -22.753 -17.738 -3.659 0.00 0.00 WT0 O +ATOM 3858 H1 TIP3 2512 -22.193 -18.268 -4.239 0.00 0.00 WT0 H +ATOM 3859 H2 TIP3 2512 -22.133 -17.258 -3.109 0.00 0.00 WT0 H +ATOM 3860 OH2 TIP3 2514 -1.322 -13.697 -0.567 0.00 0.00 WT0 O +ATOM 3861 H1 TIP3 2514 -2.132 -14.177 -0.727 0.00 0.00 WT0 H +ATOM 3862 H2 TIP3 2514 -1.512 -13.137 0.183 0.00 0.00 WT0 H +ATOM 3863 OH2 TIP3 2515 -10.792 0.331 -20.274 0.00 0.00 WT0 O +ATOM 3864 H1 TIP3 2515 -11.012 -0.369 -20.894 0.00 0.00 WT0 H +ATOM 3865 H2 TIP3 2515 -9.902 0.591 -20.524 0.00 0.00 WT0 H +ATOM 3866 OH2 TIP3 2516 7.676 3.998 18.369 0.00 0.00 WT0 O +ATOM 3867 H1 TIP3 2516 7.946 4.648 19.019 0.00 0.00 WT0 H +ATOM 3868 H2 TIP3 2516 6.896 4.378 17.959 0.00 0.00 WT0 H +ATOM 3869 OH2 TIP3 2519 22.736 -20.994 0.388 0.00 0.00 WT0 O +ATOM 3870 H1 TIP3 2519 22.886 -20.114 0.038 0.00 0.00 WT0 H +ATOM 3871 H2 TIP3 2519 22.346 -20.854 1.248 0.00 0.00 WT0 H +ATOM 3872 OH2 TIP3 2521 -11.369 19.302 10.888 0.00 0.00 WT0 O +ATOM 3873 H1 TIP3 2521 -12.289 19.072 10.998 0.00 0.00 WT0 H +ATOM 3874 H2 TIP3 2521 -11.379 20.202 10.568 0.00 0.00 WT0 H +ATOM 3875 OH2 TIP3 2523 -17.665 10.092 -15.484 0.00 0.00 WT0 O +ATOM 3876 H1 TIP3 2523 -17.725 9.672 -14.624 0.00 0.00 WT0 H +ATOM 3877 H2 TIP3 2523 -18.245 9.572 -16.044 0.00 0.00 WT0 H +ATOM 3878 OH2 TIP3 2526 -8.882 9.048 16.462 0.00 0.00 WT0 O +ATOM 3879 H1 TIP3 2526 -8.412 8.638 15.732 0.00 0.00 WT0 H +ATOM 3880 H2 TIP3 2526 -9.612 8.448 16.632 0.00 0.00 WT0 H +ATOM 3881 OH2 TIP3 2528 -3.301 2.820 -21.038 0.00 0.00 WT0 O +ATOM 3882 H1 TIP3 2528 -3.771 2.070 -21.388 0.00 0.00 WT0 H +ATOM 3883 H2 TIP3 2528 -2.871 3.210 -21.798 0.00 0.00 WT0 H +ATOM 3884 OH2 TIP3 2531 -15.837 -21.738 1.855 0.00 0.00 WT0 O +ATOM 3885 H1 TIP3 2531 -16.417 -20.988 1.995 0.00 0.00 WT0 H +ATOM 3886 H2 TIP3 2531 -16.257 -22.238 1.155 0.00 0.00 WT0 H +ATOM 3887 OH2 TIP3 2534 -17.222 11.845 -24.459 0.00 0.00 WT0 O +ATOM 3888 H1 TIP3 2534 -16.312 12.135 -24.429 0.00 0.00 WT0 H +ATOM 3889 H2 TIP3 2534 -17.702 12.615 -24.779 0.00 0.00 WT0 H +ATOM 3890 OH2 TIP3 2536 -16.862 -19.092 1.854 0.00 0.00 WT0 O +ATOM 3891 H1 TIP3 2536 -17.702 -18.652 1.994 0.00 0.00 WT0 H +ATOM 3892 H2 TIP3 2536 -16.422 -19.022 2.704 0.00 0.00 WT0 H +ATOM 3893 OH2 TIP3 2540 24.045 -24.360 17.051 0.00 0.00 WT0 O +ATOM 3894 H1 TIP3 2540 24.965 -24.560 16.881 0.00 0.00 WT0 H +ATOM 3895 H2 TIP3 2540 24.045 -23.500 17.461 0.00 0.00 WT0 H +ATOM 3896 OH2 TIP3 2541 -21.566 -3.787 5.861 0.00 0.00 WT0 O +ATOM 3897 H1 TIP3 2541 -21.976 -3.837 6.721 0.00 0.00 WT0 H +ATOM 3898 H2 TIP3 2541 -20.776 -3.277 6.001 0.00 0.00 WT0 H +ATOM 3899 OH2 TIP3 2544 15.095 11.600 -8.351 0.00 0.00 WT0 O +ATOM 3900 H1 TIP3 2544 14.495 11.100 -7.801 0.00 0.00 WT0 H +ATOM 3901 H2 TIP3 2544 15.965 11.360 -8.041 0.00 0.00 WT0 H +ATOM 3902 OH2 TIP3 2551 8.369 -8.791 22.131 0.00 0.00 WT0 O +ATOM 3903 H1 TIP3 2551 8.889 -9.481 22.551 0.00 0.00 WT0 H +ATOM 3904 H2 TIP3 2551 8.959 -8.031 22.101 0.00 0.00 WT0 H +ATOM 3905 OH2 TIP3 2555 6.540 -12.320 14.196 0.00 0.00 WT0 O +ATOM 3906 H1 TIP3 2555 6.800 -11.660 13.556 0.00 0.00 WT0 H +ATOM 3907 H2 TIP3 2555 5.680 -12.610 13.896 0.00 0.00 WT0 H +ATOM 3908 OH2 TIP3 2562 5.601 11.709 8.314 0.00 0.00 WT0 O +ATOM 3909 H1 TIP3 2562 5.321 12.439 7.774 0.00 0.00 WT0 H +ATOM 3910 H2 TIP3 2562 6.191 12.099 8.954 0.00 0.00 WT0 H +ATOM 3911 OH2 TIP3 2563 -16.881 -22.023 -4.896 0.00 0.00 WT0 O +ATOM 3912 H1 TIP3 2563 -17.141 -21.133 -4.636 0.00 0.00 WT0 H +ATOM 3913 H2 TIP3 2563 -17.061 -22.053 -5.836 0.00 0.00 WT0 H +ATOM 3914 OH2 TIP3 2573 16.260 8.022 6.870 0.00 0.00 WT0 O +ATOM 3915 H1 TIP3 2573 16.090 8.672 7.560 0.00 0.00 WT0 H +ATOM 3916 H2 TIP3 2573 15.490 7.462 6.880 0.00 0.00 WT0 H +ATOM 3917 OH2 TIP3 2576 -25.047 20.590 -14.331 0.00 0.00 WT0 O +ATOM 3918 H1 TIP3 2576 -24.147 20.680 -14.641 0.00 0.00 WT0 H +ATOM 3919 H2 TIP3 2576 -25.557 20.470 -15.131 0.00 0.00 WT0 H +ATOM 3920 OH2 TIP3 2582 -4.206 23.155 5.618 0.00 0.00 WT0 O +ATOM 3921 H1 TIP3 2582 -4.486 23.945 5.158 0.00 0.00 WT0 H +ATOM 3922 H2 TIP3 2582 -4.876 23.005 6.278 0.00 0.00 WT0 H +ATOM 3923 OH2 TIP3 2584 -22.227 -20.809 18.072 0.00 0.00 WT0 O +ATOM 3924 H1 TIP3 2584 -22.657 -20.439 18.842 0.00 0.00 WT0 H +ATOM 3925 H2 TIP3 2584 -22.857 -20.689 17.362 0.00 0.00 WT0 H +ATOM 3926 OH2 TIP3 2587 -4.999 -11.737 -11.308 0.00 0.00 WT0 O +ATOM 3927 H1 TIP3 2587 -5.179 -11.967 -10.398 0.00 0.00 WT0 H +ATOM 3928 H2 TIP3 2587 -4.879 -10.787 -11.298 0.00 0.00 WT0 H +ATOM 3929 OH2 TIP3 2590 24.454 -16.022 19.728 0.00 0.00 WT0 O +ATOM 3930 H1 TIP3 2590 25.364 -15.832 19.938 0.00 0.00 WT0 H +ATOM 3931 H2 TIP3 2590 24.434 -16.962 19.558 0.00 0.00 WT0 H +ATOM 3932 OH2 TIP3 2591 13.264 -22.531 -13.105 0.00 0.00 WT0 O +ATOM 3933 H1 TIP3 2591 13.564 -21.741 -13.555 0.00 0.00 WT0 H +ATOM 3934 H2 TIP3 2591 13.124 -22.251 -12.205 0.00 0.00 WT0 H +ATOM 3935 OH2 TIP3 2598 14.460 -24.369 -3.284 0.00 0.00 WT0 O +ATOM 3936 H1 TIP3 2598 13.710 -24.929 -3.064 0.00 0.00 WT0 H +ATOM 3937 H2 TIP3 2598 14.120 -23.479 -3.234 0.00 0.00 WT0 H +ATOM 3938 OH2 TIP3 2606 3.663 5.151 8.980 0.00 0.00 WT0 O +ATOM 3939 H1 TIP3 2606 4.093 4.401 8.570 0.00 0.00 WT0 H +ATOM 3940 H2 TIP3 2606 2.733 4.931 8.970 0.00 0.00 WT0 H +ATOM 3941 OH2 TIP3 2607 -3.114 -14.766 6.335 0.00 0.00 WT0 O +ATOM 3942 H1 TIP3 2607 -3.004 -15.366 5.605 0.00 0.00 WT0 H +ATOM 3943 H2 TIP3 2607 -2.334 -14.206 6.325 0.00 0.00 WT0 H +ATOM 3944 OH2 TIP3 2608 6.575 10.815 14.799 0.00 0.00 WT0 O +ATOM 3945 H1 TIP3 2608 5.775 10.615 15.279 0.00 0.00 WT0 H +ATOM 3946 H2 TIP3 2608 6.505 11.745 14.579 0.00 0.00 WT0 H +ATOM 3947 OH2 TIP3 2610 7.548 -15.437 1.095 0.00 0.00 WT0 O +ATOM 3948 H1 TIP3 2610 7.598 -15.157 0.175 0.00 0.00 WT0 H +ATOM 3949 H2 TIP3 2610 6.788 -14.967 1.445 0.00 0.00 WT0 H +ATOM 3950 OH2 TIP3 2613 8.245 -19.056 18.086 0.00 0.00 WT0 O +ATOM 3951 H1 TIP3 2613 7.745 -19.656 17.526 0.00 0.00 WT0 H +ATOM 3952 H2 TIP3 2613 7.605 -18.746 18.726 0.00 0.00 WT0 H +ATOM 3953 OH2 TIP3 2616 -4.649 -0.769 -21.803 0.00 0.00 WT0 O +ATOM 3954 H1 TIP3 2616 -5.089 0.021 -22.133 0.00 0.00 WT0 H +ATOM 3955 H2 TIP3 2616 -4.659 -1.379 -22.543 0.00 0.00 WT0 H +ATOM 3956 OH2 TIP3 2617 -19.765 17.171 23.094 0.00 0.00 WT0 O +ATOM 3957 H1 TIP3 2617 -19.835 17.441 24.004 0.00 0.00 WT0 H +ATOM 3958 H2 TIP3 2617 -18.835 17.231 22.894 0.00 0.00 WT0 H +ATOM 3959 OH2 TIP3 2618 -3.215 -4.389 24.569 0.00 0.00 WT0 O +ATOM 3960 H1 TIP3 2618 -2.715 -3.709 25.029 0.00 0.00 WT0 H +ATOM 3961 H2 TIP3 2618 -2.635 -4.679 23.869 0.00 0.00 WT0 H +ATOM 3962 OH2 TIP3 2628 15.290 8.816 -22.649 0.00 0.00 WT0 O +ATOM 3963 H1 TIP3 2628 15.390 8.266 -23.429 0.00 0.00 WT0 H +ATOM 3964 H2 TIP3 2628 16.120 9.306 -22.599 0.00 0.00 WT0 H +ATOM 3965 OH2 TIP3 2634 -0.395 24.990 -11.574 0.00 0.00 WT0 O +ATOM 3966 H1 TIP3 2634 -1.025 24.550 -11.014 0.00 0.00 WT0 H +ATOM 3967 H2 TIP3 2634 0.225 24.310 -11.834 0.00 0.00 WT0 H +ATOM 3968 OH2 TIP3 2635 22.594 22.588 0.659 0.00 0.00 WT0 O +ATOM 3969 H1 TIP3 2635 23.404 22.868 1.079 0.00 0.00 WT0 H +ATOM 3970 H2 TIP3 2635 21.924 23.178 1.019 0.00 0.00 WT0 H +ATOM 3971 OH2 TIP3 2636 4.073 21.424 -5.501 0.00 0.00 WT0 O +ATOM 3972 H1 TIP3 2636 3.123 21.404 -5.661 0.00 0.00 WT0 H +ATOM 3973 H2 TIP3 2636 4.363 22.254 -5.871 0.00 0.00 WT0 H +ATOM 3974 OH2 TIP3 2638 -3.783 -25.172 9.106 0.00 0.00 WT0 O +ATOM 3975 H1 TIP3 2638 -3.003 -24.742 9.446 0.00 0.00 WT0 H +ATOM 3976 H2 TIP3 2638 -3.633 -25.202 8.156 0.00 0.00 WT0 H +ATOM 3977 OH2 TIP3 2644 2.960 0.264 -8.508 0.00 0.00 WT0 O +ATOM 3978 H1 TIP3 2644 3.250 1.064 -8.078 0.00 0.00 WT0 H +ATOM 3979 H2 TIP3 2644 3.240 0.364 -9.418 0.00 0.00 WT0 H +ATOM 3980 OH2 TIP3 2649 -9.250 10.087 1.651 0.00 0.00 WT0 O +ATOM 3981 H1 TIP3 2649 -9.550 9.427 1.021 0.00 0.00 WT0 H +ATOM 3982 H2 TIP3 2649 -8.650 10.637 1.151 0.00 0.00 WT0 H +ATOM 3983 OH2 TIP3 2650 -5.066 -14.861 10.902 0.00 0.00 WT0 O +ATOM 3984 H1 TIP3 2650 -5.136 -14.461 10.032 0.00 0.00 WT0 H +ATOM 3985 H2 TIP3 2650 -4.136 -14.811 11.112 0.00 0.00 WT0 H +ATOM 3986 OH2 TIP3 2654 0.747 -14.029 -13.745 0.00 0.00 WT0 O +ATOM 3987 H1 TIP3 2654 1.207 -13.359 -13.225 0.00 0.00 WT0 H +ATOM 3988 H2 TIP3 2654 0.297 -13.519 -14.415 0.00 0.00 WT0 H +ATOM 3989 OH2 TIP3 2656 14.291 11.381 -23.639 0.00 0.00 WT0 O +ATOM 3990 H1 TIP3 2656 14.481 10.621 -23.079 0.00 0.00 WT0 H +ATOM 3991 H2 TIP3 2656 13.391 11.241 -23.929 0.00 0.00 WT0 H +ATOM 3992 OH2 TIP3 2657 -7.410 -0.352 22.507 0.00 0.00 WT0 O +ATOM 3993 H1 TIP3 2657 -6.670 -0.732 22.037 0.00 0.00 WT0 H +ATOM 3994 H2 TIP3 2657 -7.720 0.348 21.927 0.00 0.00 WT0 H +ATOM 3995 OH2 TIP3 2659 -22.397 22.357 -19.105 0.00 0.00 WT0 O +ATOM 3996 H1 TIP3 2659 -21.567 22.087 -18.715 0.00 0.00 WT0 H +ATOM 3997 H2 TIP3 2659 -22.337 23.307 -19.185 0.00 0.00 WT0 H +ATOM 3998 OH2 TIP3 2662 7.686 2.217 12.245 0.00 0.00 WT0 O +ATOM 3999 H1 TIP3 2662 6.736 2.117 12.325 0.00 0.00 WT0 H +ATOM 4000 H2 TIP3 2662 8.006 1.317 12.165 0.00 0.00 WT0 H +ATOM 4001 OH2 TIP3 2667 -19.869 -11.135 -2.331 0.00 0.00 WT0 O +ATOM 4002 H1 TIP3 2667 -19.679 -10.785 -1.471 0.00 0.00 WT0 H +ATOM 4003 H2 TIP3 2667 -19.019 -11.165 -2.781 0.00 0.00 WT0 H +ATOM 4004 OH2 TIP3 2669 5.934 8.722 -8.714 0.00 0.00 WT0 O +ATOM 4005 H1 TIP3 2669 6.024 9.142 -9.564 0.00 0.00 WT0 H +ATOM 4006 H2 TIP3 2669 5.264 8.042 -8.844 0.00 0.00 WT0 H +ATOM 4007 OH2 TIP3 2670 -20.406 20.216 22.565 0.00 0.00 WT0 O +ATOM 4008 H1 TIP3 2670 -20.536 19.306 22.315 0.00 0.00 WT0 H +ATOM 4009 H2 TIP3 2670 -19.896 20.596 21.855 0.00 0.00 WT0 H +ATOM 4010 OH2 TIP3 2673 -21.946 19.497 -22.721 0.00 0.00 WT0 O +ATOM 4011 H1 TIP3 2673 -22.596 19.537 -22.021 0.00 0.00 WT0 H +ATOM 4012 H2 TIP3 2673 -21.826 20.397 -23.001 0.00 0.00 WT0 H +ATOM 4013 OH2 TIP3 2674 -5.939 -14.135 5.309 0.00 0.00 WT0 O +ATOM 4014 H1 TIP3 2674 -5.549 -14.085 6.179 0.00 0.00 WT0 H +ATOM 4015 H2 TIP3 2674 -5.199 -14.255 4.719 0.00 0.00 WT0 H +ATOM 4016 OH2 TIP3 2675 5.321 24.097 5.516 0.00 0.00 WT0 O +ATOM 4017 H1 TIP3 2675 6.061 24.157 4.916 0.00 0.00 WT0 H +ATOM 4018 H2 TIP3 2675 4.761 24.847 5.276 0.00 0.00 WT0 H +ATOM 4019 OH2 TIP3 2676 7.698 14.082 -12.366 0.00 0.00 WT0 O +ATOM 4020 H1 TIP3 2676 8.628 13.902 -12.216 0.00 0.00 WT0 H +ATOM 4021 H2 TIP3 2676 7.658 14.372 -13.276 0.00 0.00 WT0 H +ATOM 4022 OH2 TIP3 2677 -5.975 -9.250 -8.205 0.00 0.00 WT0 O +ATOM 4023 H1 TIP3 2677 -6.705 -9.770 -7.875 0.00 0.00 WT0 H +ATOM 4024 H2 TIP3 2677 -5.795 -8.620 -7.495 0.00 0.00 WT0 H +ATOM 4025 OH2 TIP3 2678 15.707 -18.797 14.370 0.00 0.00 WT0 O +ATOM 4026 H1 TIP3 2678 14.997 -18.517 14.950 0.00 0.00 WT0 H +ATOM 4027 H2 TIP3 2678 15.277 -18.937 13.520 0.00 0.00 WT0 H +ATOM 4028 OH2 TIP3 2680 -24.947 12.728 -1.911 0.00 0.00 WT0 O +ATOM 4029 H1 TIP3 2680 -25.017 12.968 -0.981 0.00 0.00 WT0 H +ATOM 4030 H2 TIP3 2680 -25.687 13.158 -2.321 0.00 0.00 WT0 H +ATOM 4031 OH2 TIP3 2681 0.105 5.820 17.866 0.00 0.00 WT0 O +ATOM 4032 H1 TIP3 2681 -0.365 6.340 17.206 0.00 0.00 WT0 H +ATOM 4033 H2 TIP3 2681 -0.585 5.320 18.306 0.00 0.00 WT0 H +ATOM 4034 OH2 TIP3 2682 4.485 -2.149 -8.139 0.00 0.00 WT0 O +ATOM 4035 H1 TIP3 2682 3.855 -1.479 -8.399 0.00 0.00 WT0 H +ATOM 4036 H2 TIP3 2682 4.325 -2.869 -8.749 0.00 0.00 WT0 H +ATOM 4037 OH2 TIP3 2683 7.480 4.064 22.990 0.00 0.00 WT0 O +ATOM 4038 H1 TIP3 2683 6.650 4.174 22.540 0.00 0.00 WT0 H +ATOM 4039 H2 TIP3 2683 7.250 3.664 23.830 0.00 0.00 WT0 H +ATOM 4040 OH2 TIP3 2684 11.030 22.172 -10.690 0.00 0.00 WT0 O +ATOM 4041 H1 TIP3 2684 10.800 22.762 -9.970 0.00 0.00 WT0 H +ATOM 4042 H2 TIP3 2684 11.270 21.352 -10.270 0.00 0.00 WT0 H +ATOM 4043 OH2 TIP3 2689 -21.397 -20.640 3.402 0.00 0.00 WT0 O +ATOM 4044 H1 TIP3 2689 -20.847 -20.050 2.892 0.00 0.00 WT0 H +ATOM 4045 H2 TIP3 2689 -21.957 -20.060 3.922 0.00 0.00 WT0 H +ATOM 4046 OH2 TIP3 2690 -24.999 -16.365 23.622 0.00 0.00 WT0 O +ATOM 4047 H1 TIP3 2690 -25.329 -15.485 23.802 0.00 0.00 WT0 H +ATOM 4048 H2 TIP3 2690 -24.149 -16.395 24.062 0.00 0.00 WT0 H +ATOM 4049 OH2 TIP3 2691 -15.650 -15.159 -15.830 0.00 0.00 WT0 O +ATOM 4050 H1 TIP3 2691 -15.420 -16.089 -15.950 0.00 0.00 WT0 H +ATOM 4051 H2 TIP3 2691 -15.500 -14.999 -14.890 0.00 0.00 WT0 H +ATOM 4052 OH2 TIP3 2692 -23.236 -19.357 13.826 0.00 0.00 WT0 O +ATOM 4053 H1 TIP3 2692 -22.416 -19.317 13.326 0.00 0.00 WT0 H +ATOM 4054 H2 TIP3 2692 -23.916 -19.197 13.176 0.00 0.00 WT0 H +ATOM 4055 OH2 TIP3 2693 6.111 14.403 -5.769 0.00 0.00 WT0 O +ATOM 4056 H1 TIP3 2693 6.721 13.733 -6.079 0.00 0.00 WT0 H +ATOM 4057 H2 TIP3 2693 6.471 15.223 -6.099 0.00 0.00 WT0 H +ATOM 4058 OH2 TIP3 2694 -12.143 -6.771 -17.636 0.00 0.00 WT0 O +ATOM 4059 H1 TIP3 2694 -12.603 -6.811 -18.476 0.00 0.00 WT0 H +ATOM 4060 H2 TIP3 2694 -11.233 -6.961 -17.866 0.00 0.00 WT0 H +ATOM 4061 OH2 TIP3 2695 -12.652 -22.096 -7.605 0.00 0.00 WT0 O +ATOM 4062 H1 TIP3 2695 -13.202 -22.636 -8.165 0.00 0.00 WT0 H +ATOM 4063 H2 TIP3 2695 -11.772 -22.166 -7.985 0.00 0.00 WT0 H +ATOM 4064 OH2 TIP3 2696 3.568 -12.881 -17.632 0.00 0.00 WT0 O +ATOM 4065 H1 TIP3 2696 3.448 -12.581 -18.532 0.00 0.00 WT0 H +ATOM 4066 H2 TIP3 2696 4.008 -12.151 -17.192 0.00 0.00 WT0 H +ATOM 4067 OH2 TIP3 2698 -11.950 3.512 -22.542 0.00 0.00 WT0 O +ATOM 4068 H1 TIP3 2698 -11.510 4.262 -22.932 0.00 0.00 WT0 H +ATOM 4069 H2 TIP3 2698 -12.040 3.742 -21.612 0.00 0.00 WT0 H +ATOM 4070 OH2 TIP3 2699 -0.196 17.944 2.216 0.00 0.00 WT0 O +ATOM 4071 H1 TIP3 2699 0.204 18.444 1.516 0.00 0.00 WT0 H +ATOM 4072 H2 TIP3 2699 0.544 17.574 2.696 0.00 0.00 WT0 H +ATOM 4073 OH2 TIP3 2700 3.461 5.251 -0.945 0.00 0.00 WT0 O +ATOM 4074 H1 TIP3 2700 4.141 4.581 -0.945 0.00 0.00 WT0 H +ATOM 4075 H2 TIP3 2700 3.911 6.051 -1.205 0.00 0.00 WT0 H +ATOM 4076 OH2 TIP3 2701 8.121 12.509 -19.361 0.00 0.00 WT0 O +ATOM 4077 H1 TIP3 2701 8.441 12.129 -18.541 0.00 0.00 WT0 H +ATOM 4078 H2 TIP3 2701 8.671 12.119 -20.041 0.00 0.00 WT0 H +ATOM 4079 OH2 TIP3 2702 17.249 -14.403 16.476 0.00 0.00 WT0 O +ATOM 4080 H1 TIP3 2702 18.069 -14.723 16.846 0.00 0.00 WT0 H +ATOM 4081 H2 TIP3 2702 17.279 -13.453 16.616 0.00 0.00 WT0 H +ATOM 4082 OH2 TIP3 2703 -2.624 -4.123 -0.173 0.00 0.00 WT0 O +ATOM 4083 H1 TIP3 2703 -2.794 -3.403 0.447 0.00 0.00 WT0 H +ATOM 4084 H2 TIP3 2703 -2.384 -3.673 -0.983 0.00 0.00 WT0 H +ATOM 4085 OH2 TIP3 2709 25.419 -0.751 -23.298 0.00 0.00 WT0 O +ATOM 4086 H1 TIP3 2709 25.279 -0.031 -23.908 0.00 0.00 WT0 H +ATOM 4087 H2 TIP3 2709 25.029 -0.451 -22.478 0.00 0.00 WT0 H +ATOM 4088 OH2 TIP3 2710 -20.163 -5.430 -16.131 0.00 0.00 WT0 O +ATOM 4089 H1 TIP3 2710 -19.933 -5.690 -15.231 0.00 0.00 WT0 H +ATOM 4090 H2 TIP3 2710 -19.933 -4.510 -16.181 0.00 0.00 WT0 H +ATOM 4091 OH2 TIP3 2713 -6.507 13.799 -23.706 0.00 0.00 WT0 O +ATOM 4092 H1 TIP3 2713 -7.327 14.149 -24.056 0.00 0.00 WT0 H +ATOM 4093 H2 TIP3 2713 -6.787 13.209 -22.996 0.00 0.00 WT0 H +ATOM 4094 OH2 TIP3 2714 22.374 -21.291 -6.336 0.00 0.00 WT0 O +ATOM 4095 H1 TIP3 2714 22.524 -22.221 -6.146 0.00 0.00 WT0 H +ATOM 4096 H2 TIP3 2714 21.794 -21.001 -5.626 0.00 0.00 WT0 H +ATOM 4097 OH2 TIP3 2715 -4.233 -12.089 8.358 0.00 0.00 WT0 O +ATOM 4098 H1 TIP3 2715 -3.863 -11.789 7.528 0.00 0.00 WT0 H +ATOM 4099 H2 TIP3 2715 -4.963 -12.659 8.108 0.00 0.00 WT0 H +ATOM 4100 OH2 TIP3 2718 24.771 18.344 16.809 0.00 0.00 WT0 O +ATOM 4101 H1 TIP3 2718 25.721 18.494 16.789 0.00 0.00 WT0 H +ATOM 4102 H2 TIP3 2718 24.662 17.494 16.379 0.00 0.00 WT0 H +ATOM 4103 OH2 TIP3 2719 1.625 -22.133 -18.511 0.00 0.00 WT0 O +ATOM 4104 H1 TIP3 2719 1.545 -21.993 -17.561 0.00 0.00 WT0 H +ATOM 4105 H2 TIP3 2719 2.125 -22.953 -18.581 0.00 0.00 WT0 H +ATOM 4106 OH2 TIP3 2720 -6.277 0.251 -17.605 0.00 0.00 WT0 O +ATOM 4107 H1 TIP3 2720 -6.367 0.671 -16.745 0.00 0.00 WT0 H +ATOM 4108 H2 TIP3 2720 -6.777 0.821 -18.195 0.00 0.00 WT0 H +ATOM 4109 OH2 TIP3 2721 -24.444 10.526 -17.004 0.00 0.00 WT0 O +ATOM 4110 H1 TIP3 2721 -24.364 11.396 -17.374 0.00 0.00 WT0 H +ATOM 4111 H2 TIP3 2721 -23.684 10.416 -16.444 0.00 0.00 WT0 H +ATOM 4112 OH2 TIP3 2722 21.777 2.399 -5.473 0.00 0.00 WT0 O +ATOM 4113 H1 TIP3 2722 22.367 3.159 -5.493 0.00 0.00 WT0 H +ATOM 4114 H2 TIP3 2722 21.727 2.119 -6.383 0.00 0.00 WT0 H +ATOM 4115 OH2 TIP3 2723 -24.715 17.781 8.061 0.00 0.00 WT0 O +ATOM 4116 H1 TIP3 2723 -24.825 17.701 9.011 0.00 0.00 WT0 H +ATOM 4117 H2 TIP3 2723 -23.795 18.031 7.961 0.00 0.00 WT0 H +ATOM 4118 OH2 TIP3 2724 -14.003 -4.209 -19.051 0.00 0.00 WT0 O +ATOM 4119 H1 TIP3 2724 -14.463 -4.719 -18.391 0.00 0.00 WT0 H +ATOM 4120 H2 TIP3 2724 -13.093 -4.199 -18.751 0.00 0.00 WT0 H +ATOM 4121 OH2 TIP3 2731 1.269 -22.193 12.151 0.00 0.00 WT0 O +ATOM 4122 H1 TIP3 2731 1.199 -21.583 11.431 0.00 0.00 WT0 H +ATOM 4123 H2 TIP3 2731 1.899 -22.853 11.851 0.00 0.00 WT0 H +ATOM 4124 OH2 TIP3 2732 -8.999 14.463 -24.978 0.00 0.00 WT0 O +ATOM 4125 H1 TIP3 2732 -9.329 15.353 -25.038 0.00 0.00 WT0 H +ATOM 4126 H2 TIP3 2732 -9.779 13.913 -24.928 0.00 0.00 WT0 H +ATOM 4127 OH2 TIP3 2734 4.366 21.014 19.633 0.00 0.00 WT0 O +ATOM 4128 H1 TIP3 2734 3.866 20.294 19.253 0.00 0.00 WT0 H +ATOM 4129 H2 TIP3 2734 5.146 21.084 19.083 0.00 0.00 WT0 H +ATOM 4130 OH2 TIP3 2735 11.937 -2.552 8.129 0.00 0.00 WT0 O +ATOM 4131 H1 TIP3 2735 11.457 -1.822 8.519 0.00 0.00 WT0 H +ATOM 4132 H2 TIP3 2735 12.237 -3.072 8.879 0.00 0.00 WT0 H +ATOM 4133 OH2 TIP3 2736 -1.682 5.635 -12.445 0.00 0.00 WT0 O +ATOM 4134 H1 TIP3 2736 -2.172 5.955 -13.205 0.00 0.00 WT0 H +ATOM 4135 H2 TIP3 2736 -1.622 4.695 -12.585 0.00 0.00 WT0 H +ATOM 4136 OH2 TIP3 2737 6.554 -22.466 -3.194 0.00 0.00 WT0 O +ATOM 4137 H1 TIP3 2737 5.854 -23.106 -3.304 0.00 0.00 WT0 H +ATOM 4138 H2 TIP3 2737 6.804 -22.226 -4.084 0.00 0.00 WT0 H +ATOM 4139 OH2 TIP3 2743 -5.137 -5.606 -7.920 0.00 0.00 WT0 O +ATOM 4140 H1 TIP3 2743 -6.067 -5.806 -8.030 0.00 0.00 WT0 H +ATOM 4141 H2 TIP3 2743 -5.047 -4.696 -8.230 0.00 0.00 WT0 H +ATOM 4142 OH2 TIP3 2746 9.808 4.634 7.152 0.00 0.00 WT0 O +ATOM 4143 H1 TIP3 2746 8.858 4.774 7.072 0.00 0.00 WT0 H +ATOM 4144 H2 TIP3 2746 9.888 3.884 7.742 0.00 0.00 WT0 H +ATOM 4145 OH2 TIP3 2753 -2.054 17.257 11.372 0.00 0.00 WT0 O +ATOM 4146 H1 TIP3 2753 -2.414 18.127 11.172 0.00 0.00 WT0 H +ATOM 4147 H2 TIP3 2753 -2.614 16.647 10.902 0.00 0.00 WT0 H +ATOM 4148 OH2 TIP3 2754 11.995 -20.185 -13.978 0.00 0.00 WT0 O +ATOM 4149 H1 TIP3 2754 12.885 -20.235 -14.308 0.00 0.00 WT0 H +ATOM 4150 H2 TIP3 2754 11.465 -20.685 -14.608 0.00 0.00 WT0 H +ATOM 4151 OH2 TIP3 2755 -7.355 -20.530 14.152 0.00 0.00 WT0 O +ATOM 4152 H1 TIP3 2755 -7.135 -19.750 13.642 0.00 0.00 WT0 H +ATOM 4153 H2 TIP3 2755 -7.905 -20.200 14.862 0.00 0.00 WT0 H +ATOM 4154 OH2 TIP3 2756 -21.943 -17.645 16.237 0.00 0.00 WT0 O +ATOM 4155 H1 TIP3 2756 -22.053 -18.545 15.947 0.00 0.00 WT0 H +ATOM 4156 H2 TIP3 2756 -22.643 -17.515 16.887 0.00 0.00 WT0 H +ATOM 4157 OH2 TIP3 2758 4.026 -8.885 18.037 0.00 0.00 WT0 O +ATOM 4158 H1 TIP3 2758 4.826 -9.255 17.667 0.00 0.00 WT0 H +ATOM 4159 H2 TIP3 2758 3.326 -9.315 17.547 0.00 0.00 WT0 H +ATOM 4160 OH2 TIP3 2760 -9.157 -1.659 -7.651 0.00 0.00 WT0 O +ATOM 4161 H1 TIP3 2760 -9.027 -2.199 -8.431 0.00 0.00 WT0 H +ATOM 4162 H2 TIP3 2760 -10.057 -1.839 -7.381 0.00 0.00 WT0 H +ATOM 4163 OH2 TIP3 2761 -12.399 -23.917 -24.505 0.00 0.00 WT0 O +ATOM 4164 H1 TIP3 2761 -13.229 -23.427 -24.455 0.00 0.00 WT0 H +ATOM 4165 H2 TIP3 2761 -12.169 -24.087 -23.595 0.00 0.00 WT0 H +ATOM 4166 OH2 TIP3 2762 -14.409 7.282 -16.121 0.00 0.00 WT0 O +ATOM 4167 H1 TIP3 2762 -15.289 6.952 -15.961 0.00 0.00 WT0 H +ATOM 4168 H2 TIP3 2762 -14.459 7.752 -16.951 0.00 0.00 WT0 H +ATOM 4169 OH2 TIP3 2765 -20.954 -1.651 -2.303 0.00 0.00 WT0 O +ATOM 4170 H1 TIP3 2765 -20.564 -1.381 -3.133 0.00 0.00 WT0 H +ATOM 4171 H2 TIP3 2765 -21.644 -1.011 -2.143 0.00 0.00 WT0 H +ATOM 4172 OH2 TIP3 2766 -1.587 4.815 5.240 0.00 0.00 WT0 O +ATOM 4173 H1 TIP3 2766 -0.947 4.305 5.750 0.00 0.00 WT0 H +ATOM 4174 H2 TIP3 2766 -1.767 5.575 5.780 0.00 0.00 WT0 H +ATOM 4175 OH2 TIP3 2767 20.907 -12.760 -6.198 0.00 0.00 WT0 O +ATOM 4176 H1 TIP3 2767 21.097 -13.650 -5.898 0.00 0.00 WT0 H +ATOM 4177 H2 TIP3 2767 21.507 -12.620 -6.928 0.00 0.00 WT0 H +ATOM 4178 OH2 TIP3 2771 -7.306 -22.161 -18.501 0.00 0.00 WT0 O +ATOM 4179 H1 TIP3 2771 -6.536 -21.641 -18.291 0.00 0.00 WT0 H +ATOM 4180 H2 TIP3 2771 -7.736 -21.691 -19.211 0.00 0.00 WT0 H +ATOM 4181 OH2 TIP3 2774 17.736 -16.439 0.765 0.00 0.00 WT0 O +ATOM 4182 H1 TIP3 2774 18.216 -16.829 0.025 0.00 0.00 WT0 H +ATOM 4183 H2 TIP3 2774 16.906 -16.909 0.785 0.00 0.00 WT0 H +ATOM 4184 OH2 TIP3 2775 16.366 4.965 2.060 0.00 0.00 WT0 O +ATOM 4185 H1 TIP3 2775 17.296 5.135 1.930 0.00 0.00 WT0 H +ATOM 4186 H2 TIP3 2775 16.176 5.305 2.940 0.00 0.00 WT0 H +ATOM 4187 OH2 TIP3 2777 16.358 17.433 -10.564 0.00 0.00 WT0 O +ATOM 4188 H1 TIP3 2777 15.448 17.513 -10.274 0.00 0.00 WT0 H +ATOM 4189 H2 TIP3 2777 16.368 16.653 -11.114 0.00 0.00 WT0 H +ATOM 4190 OH2 TIP3 2778 3.915 16.769 19.620 0.00 0.00 WT0 O +ATOM 4191 H1 TIP3 2778 3.615 16.089 19.020 0.00 0.00 WT0 H +ATOM 4192 H2 TIP3 2778 4.845 16.569 19.760 0.00 0.00 WT0 H +ATOM 4193 OH2 TIP3 2779 -23.453 3.786 -21.988 0.00 0.00 WT0 O +ATOM 4194 H1 TIP3 2779 -23.483 3.696 -21.028 0.00 0.00 WT0 H +ATOM 4195 H2 TIP3 2779 -24.263 4.246 -22.208 0.00 0.00 WT0 H +ATOM 4196 OH2 TIP3 2781 7.109 -18.149 11.137 0.00 0.00 WT0 O +ATOM 4197 H1 TIP3 2781 7.099 -19.109 11.217 0.00 0.00 WT0 H +ATOM 4198 H2 TIP3 2781 6.549 -17.969 10.377 0.00 0.00 WT0 H +ATOM 4199 OH2 TIP3 2783 5.224 24.216 -24.644 0.00 0.00 WT0 O +ATOM 4200 H1 TIP3 2783 5.354 24.726 -25.434 0.00 0.00 WT0 H +ATOM 4201 H2 TIP3 2783 4.624 24.736 -24.114 0.00 0.00 WT0 H +ATOM 4202 OH2 TIP3 2784 18.154 23.862 -23.581 0.00 0.00 WT0 O +ATOM 4203 H1 TIP3 2784 18.504 22.982 -23.451 0.00 0.00 WT0 H +ATOM 4204 H2 TIP3 2784 17.724 23.832 -24.431 0.00 0.00 WT0 H +ATOM 4205 OH2 TIP3 2785 -16.610 -0.852 1.379 0.00 0.00 WT0 O +ATOM 4206 H1 TIP3 2785 -16.960 -0.252 0.729 0.00 0.00 WT0 H +ATOM 4207 H2 TIP3 2785 -15.690 -0.942 1.149 0.00 0.00 WT0 H +ATOM 4208 OH2 TIP3 2786 20.321 10.558 -10.650 0.00 0.00 WT0 O +ATOM 4209 H1 TIP3 2786 19.841 10.748 -11.460 0.00 0.00 WT0 H +ATOM 4210 H2 TIP3 2786 21.121 11.078 -10.720 0.00 0.00 WT0 H +ATOM 4211 OH2 TIP3 2787 11.348 14.593 -8.869 0.00 0.00 WT0 O +ATOM 4212 H1 TIP3 2787 12.158 14.613 -9.369 0.00 0.00 WT0 H +ATOM 4213 H2 TIP3 2787 11.628 14.553 -7.959 0.00 0.00 WT0 H +ATOM 4214 OH2 TIP3 2794 24.857 -20.193 -4.709 0.00 0.00 WT0 O +ATOM 4215 H1 TIP3 2794 24.557 -21.003 -4.299 0.00 0.00 WT0 H +ATOM 4216 H2 TIP3 2794 25.087 -20.453 -5.599 0.00 0.00 WT0 H +ATOM 4217 OH2 TIP3 2795 16.285 -6.850 -6.611 0.00 0.00 WT0 O +ATOM 4218 H1 TIP3 2795 17.115 -6.440 -6.341 0.00 0.00 WT0 H +ATOM 4219 H2 TIP3 2795 16.395 -7.780 -6.381 0.00 0.00 WT0 H +ATOM 4220 OH2 TIP3 2796 -1.114 -22.649 -4.760 0.00 0.00 WT0 O +ATOM 4221 H1 TIP3 2796 -0.644 -21.839 -4.960 0.00 0.00 WT0 H +ATOM 4222 H2 TIP3 2796 -0.744 -23.299 -5.360 0.00 0.00 WT0 H +ATOM 4223 OH2 TIP3 2798 -1.185 -2.986 -10.670 0.00 0.00 WT0 O +ATOM 4224 H1 TIP3 2798 -0.285 -3.176 -10.920 0.00 0.00 WT0 H +ATOM 4225 H2 TIP3 2798 -1.645 -3.816 -10.750 0.00 0.00 WT0 H +ATOM 4226 OH2 TIP3 2801 10.800 6.437 17.842 0.00 0.00 WT0 O +ATOM 4227 H1 TIP3 2801 11.530 6.757 18.362 0.00 0.00 WT0 H +ATOM 4228 H2 TIP3 2801 11.000 6.707 16.952 0.00 0.00 WT0 H +ATOM 4229 OH2 TIP3 2802 21.465 13.803 7.882 0.00 0.00 WT0 O +ATOM 4230 H1 TIP3 2802 20.595 13.493 8.112 0.00 0.00 WT0 H +ATOM 4231 H2 TIP3 2802 21.345 14.253 7.052 0.00 0.00 WT0 H +ATOM 4232 OH2 TIP3 2803 -24.670 -5.450 -2.830 0.00 0.00 WT0 O +ATOM 4233 H1 TIP3 2803 -24.930 -4.790 -2.180 0.00 0.00 WT0 H +ATOM 4234 H2 TIP3 2803 -25.300 -6.170 -2.700 0.00 0.00 WT0 H +ATOM 4235 OH2 TIP3 2805 10.459 12.353 -10.688 0.00 0.00 WT0 O +ATOM 4236 H1 TIP3 2805 10.089 12.043 -9.858 0.00 0.00 WT0 H +ATOM 4237 H2 TIP3 2805 11.289 12.763 -10.438 0.00 0.00 WT0 H +ATOM 4238 OH2 TIP3 2806 23.838 24.784 9.924 0.00 0.00 WT0 O +ATOM 4239 H1 TIP3 2806 23.598 24.074 9.334 0.00 0.00 WT0 H +ATOM 4240 H2 TIP3 2806 24.738 25.004 9.694 0.00 0.00 WT0 H +ATOM 4241 OH2 TIP3 2807 17.016 -21.617 -20.699 0.00 0.00 WT0 O +ATOM 4242 H1 TIP3 2807 17.656 -20.987 -20.369 0.00 0.00 WT0 H +ATOM 4243 H2 TIP3 2807 17.406 -21.967 -21.499 0.00 0.00 WT0 H +ATOM 4244 OH2 TIP3 2808 3.142 -13.669 -6.164 0.00 0.00 WT0 O +ATOM 4245 H1 TIP3 2808 2.973 -14.239 -5.414 0.00 0.00 WT0 H +ATOM 4246 H2 TIP3 2808 3.063 -12.779 -5.814 0.00 0.00 WT0 H +ATOM 4247 OH2 TIP3 2809 2.973 17.602 -2.367 0.00 0.00 WT0 O +ATOM 4248 H1 TIP3 2809 3.003 17.912 -3.267 0.00 0.00 WT0 H +ATOM 4249 H2 TIP3 2809 3.843 17.802 -2.017 0.00 0.00 WT0 H +ATOM 4250 OH2 TIP3 2815 -1.070 9.482 11.019 0.00 0.00 WT0 O +ATOM 4251 H1 TIP3 2815 -1.330 10.202 11.589 0.00 0.00 WT0 H +ATOM 4252 H2 TIP3 2815 -0.800 9.892 10.209 0.00 0.00 WT0 H +ATOM 4253 OH2 TIP3 2819 -8.634 -1.732 -11.305 0.00 0.00 WT0 O +ATOM 4254 H1 TIP3 2819 -7.904 -2.262 -10.985 0.00 0.00 WT0 H +ATOM 4255 H2 TIP3 2819 -8.224 -0.912 -11.595 0.00 0.00 WT0 H +ATOM 4256 OH2 TIP3 2820 -24.793 -21.604 -22.828 0.00 0.00 WT0 O +ATOM 4257 H1 TIP3 2820 -25.363 -21.274 -23.528 0.00 0.00 WT0 H +ATOM 4258 H2 TIP3 2820 -24.973 -21.034 -22.078 0.00 0.00 WT0 H +ATOM 4259 OH2 TIP3 2822 21.403 24.352 23.913 0.00 0.00 WT0 O +ATOM 4260 H1 TIP3 2822 20.663 23.812 24.193 0.00 0.00 WT0 H +ATOM 4261 H2 TIP3 2822 21.003 25.052 23.403 0.00 0.00 WT0 H +ATOM 4262 OH2 TIP3 2823 -15.369 -10.095 2.262 0.00 0.00 WT0 O +ATOM 4263 H1 TIP3 2823 -14.819 -9.375 1.962 0.00 0.00 WT0 H +ATOM 4264 H2 TIP3 2823 -14.769 -10.835 2.372 0.00 0.00 WT0 H +ATOM 4265 OH2 TIP3 2824 -17.305 22.568 8.712 0.00 0.00 WT0 O +ATOM 4266 H1 TIP3 2824 -16.665 22.538 8.012 0.00 0.00 WT0 H +ATOM 4267 H2 TIP3 2824 -17.515 21.658 8.892 0.00 0.00 WT0 H +ATOM 4268 OH2 TIP3 2826 -21.781 -14.505 22.091 0.00 0.00 WT0 O +ATOM 4269 H1 TIP3 2826 -20.851 -14.735 22.191 0.00 0.00 WT0 H +ATOM 4270 H2 TIP3 2826 -22.161 -14.675 22.951 0.00 0.00 WT0 H +ATOM 4271 OH2 TIP3 2829 -2.351 -17.828 -17.592 0.00 0.00 WT0 O +ATOM 4272 H1 TIP3 2829 -2.171 -18.028 -18.512 0.00 0.00 WT0 H +ATOM 4273 H2 TIP3 2829 -3.301 -17.688 -17.562 0.00 0.00 WT0 H +ATOM 4274 OH2 TIP3 2830 -13.315 -14.593 -12.226 0.00 0.00 WT0 O +ATOM 4275 H1 TIP3 2830 -13.285 -14.473 -13.176 0.00 0.00 WT0 H +ATOM 4276 H2 TIP3 2830 -12.835 -13.833 -11.886 0.00 0.00 WT0 H +ATOM 4277 OH2 TIP3 2831 -9.807 3.114 18.537 0.00 0.00 WT0 O +ATOM 4278 H1 TIP3 2831 -9.857 2.214 18.857 0.00 0.00 WT0 H +ATOM 4279 H2 TIP3 2831 -9.537 3.634 19.297 0.00 0.00 WT0 H +ATOM 4280 OH2 TIP3 2832 5.795 -9.959 16.165 0.00 0.00 WT0 O +ATOM 4281 H1 TIP3 2832 5.185 -10.319 15.525 0.00 0.00 WT0 H +ATOM 4282 H2 TIP3 2832 6.645 -9.969 15.725 0.00 0.00 WT0 H +ATOM 4283 OH2 TIP3 2834 18.524 13.341 -21.465 0.00 0.00 WT0 O +ATOM 4284 H1 TIP3 2834 19.174 13.991 -21.715 0.00 0.00 WT0 H +ATOM 4285 H2 TIP3 2834 18.364 13.511 -20.535 0.00 0.00 WT0 H +ATOM 4286 OH2 TIP3 2838 -17.956 2.111 -17.743 0.00 0.00 WT0 O +ATOM 4287 H1 TIP3 2838 -17.566 1.311 -18.103 0.00 0.00 WT0 H +ATOM 4288 H2 TIP3 2838 -17.516 2.821 -18.213 0.00 0.00 WT0 H +ATOM 4289 OH2 TIP3 2840 -5.906 17.206 23.313 0.00 0.00 WT0 O +ATOM 4290 H1 TIP3 2840 -6.346 16.526 22.803 0.00 0.00 WT0 H +ATOM 4291 H2 TIP3 2840 -5.146 17.446 22.783 0.00 0.00 WT0 H +ATOM 4292 OH2 TIP3 2842 -7.497 21.477 -9.862 0.00 0.00 WT0 O +ATOM 4293 H1 TIP3 2842 -8.357 21.877 -9.792 0.00 0.00 WT0 H +ATOM 4294 H2 TIP3 2842 -7.288 21.487 -10.792 0.00 0.00 WT0 H +ATOM 4295 OH2 TIP3 2843 -8.715 24.392 16.996 0.00 0.00 WT0 O +ATOM 4296 H1 TIP3 2843 -8.085 25.082 17.156 0.00 0.00 WT0 H +ATOM 4297 H2 TIP3 2843 -9.565 24.822 17.056 0.00 0.00 WT0 H +ATOM 4298 OH2 TIP3 2844 10.346 25.132 19.462 0.00 0.00 WT0 O +ATOM 4299 H1 TIP3 2844 10.876 25.872 19.772 0.00 0.00 WT0 H +ATOM 4300 H2 TIP3 2844 10.336 24.522 20.202 0.00 0.00 WT0 H +ATOM 4301 OH2 TIP3 2846 18.810 0.762 -11.250 0.00 0.00 WT0 O +ATOM 4302 H1 TIP3 2846 19.570 1.162 -11.660 0.00 0.00 WT0 H +ATOM 4303 H2 TIP3 2846 18.260 0.482 -11.980 0.00 0.00 WT0 H +ATOM 4304 OH2 TIP3 2847 -11.446 -21.528 24.821 0.00 0.00 WT0 O +ATOM 4305 H1 TIP3 2847 -10.556 -21.378 25.121 0.00 0.00 WT0 H +ATOM 4306 H2 TIP3 2847 -11.556 -22.478 24.821 0.00 0.00 WT0 H +ATOM 4307 OH2 TIP3 2848 -19.690 -2.156 -17.445 0.00 0.00 WT0 O +ATOM 4308 H1 TIP3 2848 -20.120 -2.996 -17.615 0.00 0.00 WT0 H +ATOM 4309 H2 TIP3 2848 -19.830 -2.006 -16.515 0.00 0.00 WT0 H +ATOM 4310 OH2 TIP3 2850 7.256 -8.610 -16.505 0.00 0.00 WT0 O +ATOM 4311 H1 TIP3 2850 7.416 -8.860 -15.595 0.00 0.00 WT0 H +ATOM 4312 H2 TIP3 2850 8.096 -8.770 -16.945 0.00 0.00 WT0 H +ATOM 4313 OH2 TIP3 2852 -0.070 21.583 10.319 0.00 0.00 WT0 O +ATOM 4314 H1 TIP3 2852 -0.800 21.493 10.929 0.00 0.00 WT0 H +ATOM 4315 H2 TIP3 2852 -0.450 21.373 9.459 0.00 0.00 WT0 H +ATOM 4316 OH2 TIP3 2857 23.773 -23.462 0.182 0.00 0.00 WT0 O +ATOM 4317 H1 TIP3 2857 23.173 -23.742 -0.508 0.00 0.00 WT0 H +ATOM 4318 H2 TIP3 2857 23.343 -22.712 0.592 0.00 0.00 WT0 H +ATOM 4319 OH2 TIP3 2858 -0.629 17.295 -14.232 0.00 0.00 WT0 O +ATOM 4320 H1 TIP3 2858 -0.989 16.885 -13.452 0.00 0.00 WT0 H +ATOM 4321 H2 TIP3 2858 -1.009 18.175 -14.242 0.00 0.00 WT0 H +ATOM 4322 OH2 TIP3 2859 -0.295 -7.430 -6.305 0.00 0.00 WT0 O +ATOM 4323 H1 TIP3 2859 -0.175 -7.940 -7.105 0.00 0.00 WT0 H +ATOM 4324 H2 TIP3 2859 0.575 -7.060 -6.125 0.00 0.00 WT0 H +ATOM 4325 OH2 TIP3 2860 23.386 10.751 -4.365 0.00 0.00 WT0 O +ATOM 4326 H1 TIP3 2860 22.516 10.351 -4.285 0.00 0.00 WT0 H +ATOM 4327 H2 TIP3 2860 23.896 10.331 -3.675 0.00 0.00 WT0 H +ATOM 4328 OH2 TIP3 2861 -24.796 9.863 -10.139 0.00 0.00 WT0 O +ATOM 4329 H1 TIP3 2861 -25.616 9.923 -9.649 0.00 0.00 WT0 H +ATOM 4330 H2 TIP3 2861 -24.676 8.923 -10.289 0.00 0.00 WT0 H +ATOM 4331 OH2 TIP3 2863 -24.479 -16.721 -5.590 0.00 0.00 WT0 O +ATOM 4332 H1 TIP3 2863 -23.559 -16.481 -5.460 0.00 0.00 WT0 H +ATOM 4333 H2 TIP3 2863 -24.449 -17.581 -6.010 0.00 0.00 WT0 H +ATOM 4334 OH2 TIP3 2864 -25.151 6.789 -18.359 0.00 0.00 WT0 O +ATOM 4335 H1 TIP3 2864 -24.251 6.519 -18.509 0.00 0.00 WT0 H +ATOM 4336 H2 TIP3 2864 -25.251 7.599 -18.859 0.00 0.00 WT0 H +ATOM 4337 OH2 TIP3 2868 4.308 2.403 10.134 0.00 0.00 WT0 O +ATOM 4338 H1 TIP3 2868 4.128 1.803 10.854 0.00 0.00 WT0 H +ATOM 4339 H2 TIP3 2868 4.188 3.273 10.504 0.00 0.00 WT0 H +ATOM 4340 OH2 TIP3 2869 15.903 -24.289 10.815 0.00 0.00 WT0 O +ATOM 4341 H1 TIP3 2869 15.033 -24.669 10.975 0.00 0.00 WT0 H +ATOM 4342 H2 TIP3 2869 15.723 -23.389 10.535 0.00 0.00 WT0 H +ATOM 4343 OH2 TIP3 2871 -18.443 -21.749 22.592 0.00 0.00 WT0 O +ATOM 4344 H1 TIP3 2871 -18.203 -22.669 22.682 0.00 0.00 WT0 H +ATOM 4345 H2 TIP3 2871 -17.973 -21.309 23.302 0.00 0.00 WT0 H +ATOM 4346 OH2 TIP3 2874 -0.993 25.257 16.635 0.00 0.00 WT0 O +ATOM 4347 H1 TIP3 2874 -1.233 24.777 17.435 0.00 0.00 WT0 H +ATOM 4348 H2 TIP3 2874 -1.683 25.027 16.015 0.00 0.00 WT0 H +ATOM 4349 OH2 TIP3 2877 8.680 23.381 -0.738 0.00 0.00 WT0 O +ATOM 4350 H1 TIP3 2877 9.500 23.621 -1.158 0.00 0.00 WT0 H +ATOM 4351 H2 TIP3 2877 8.490 24.101 -0.138 0.00 0.00 WT0 H +ATOM 4352 OH2 TIP3 2878 -12.407 1.550 -9.499 0.00 0.00 WT0 O +ATOM 4353 H1 TIP3 2878 -12.987 2.120 -10.009 0.00 0.00 WT0 H +ATOM 4354 H2 TIP3 2878 -12.927 1.280 -8.749 0.00 0.00 WT0 H +ATOM 4355 OH2 TIP3 2880 -14.026 25.455 8.442 0.00 0.00 WT0 O +ATOM 4356 H1 TIP3 2880 -13.176 25.215 8.802 0.00 0.00 WT0 H +ATOM 4357 H2 TIP3 2880 -14.196 24.805 7.762 0.00 0.00 WT0 H +ATOM 4358 OH2 TIP3 2882 -15.562 5.947 3.346 0.00 0.00 WT0 O +ATOM 4359 H1 TIP3 2882 -16.002 5.837 2.496 0.00 0.00 WT0 H +ATOM 4360 H2 TIP3 2882 -15.442 5.047 3.656 0.00 0.00 WT0 H +ATOM 4361 OH2 TIP3 2883 -7.095 2.610 -18.951 0.00 0.00 WT0 O +ATOM 4362 H1 TIP3 2883 -7.615 2.970 -19.681 0.00 0.00 WT0 H +ATOM 4363 H2 TIP3 2883 -7.455 3.030 -18.171 0.00 0.00 WT0 H +ATOM 4364 OH2 TIP3 2884 -0.885 -1.515 13.921 0.00 0.00 WT0 O +ATOM 4365 H1 TIP3 2884 -0.175 -1.005 14.301 0.00 0.00 WT0 H +ATOM 4366 H2 TIP3 2884 -1.515 -0.855 13.621 0.00 0.00 WT0 H +ATOM 4367 OH2 TIP3 2886 16.510 -15.816 7.729 0.00 0.00 WT0 O +ATOM 4368 H1 TIP3 2886 16.020 -15.266 8.349 0.00 0.00 WT0 H +ATOM 4369 H2 TIP3 2886 17.420 -15.556 7.849 0.00 0.00 WT0 H +ATOM 4370 OH2 TIP3 2888 -18.842 12.685 19.556 0.00 0.00 WT0 O +ATOM 4371 H1 TIP3 2888 -19.592 12.945 19.006 0.00 0.00 WT0 H +ATOM 4372 H2 TIP3 2888 -18.652 13.465 20.076 0.00 0.00 WT0 H +ATOM 4373 OH2 TIP3 2889 5.630 11.195 4.716 0.00 0.00 WT0 O +ATOM 4374 H1 TIP3 2889 5.560 10.295 4.396 0.00 0.00 WT0 H +ATOM 4375 H2 TIP3 2889 6.180 11.135 5.496 0.00 0.00 WT0 H +ATOM 4376 OH2 TIP3 2890 -12.855 -24.160 -16.055 0.00 0.00 WT0 O +ATOM 4377 H1 TIP3 2890 -13.005 -25.090 -15.925 0.00 0.00 WT0 H +ATOM 4378 H2 TIP3 2890 -12.235 -24.110 -16.775 0.00 0.00 WT0 H +ATOM 4379 OH2 TIP3 2891 13.393 11.675 4.315 0.00 0.00 WT0 O +ATOM 4380 H1 TIP3 2891 12.603 12.055 3.925 0.00 0.00 WT0 H +ATOM 4381 H2 TIP3 2891 13.173 11.545 5.235 0.00 0.00 WT0 H +ATOM 4382 OH2 TIP3 2893 25.204 1.124 -15.530 0.00 0.00 WT0 O +ATOM 4383 H1 TIP3 2893 24.424 0.744 -15.950 0.00 0.00 WT0 H +ATOM 4384 H2 TIP3 2893 25.394 0.534 -14.800 0.00 0.00 WT0 H +ATOM 4385 OH2 TIP3 2894 16.197 13.892 -8.670 0.00 0.00 WT0 O +ATOM 4386 H1 TIP3 2894 17.147 13.892 -8.840 0.00 0.00 WT0 H +ATOM 4387 H2 TIP3 2894 15.987 12.982 -8.490 0.00 0.00 WT0 H +ATOM 4388 OH2 TIP3 2897 0.596 1.233 4.499 0.00 0.00 WT0 O +ATOM 4389 H1 TIP3 2897 0.486 1.993 3.939 0.00 0.00 WT0 H +ATOM 4390 H2 TIP3 2897 -0.204 1.203 5.029 0.00 0.00 WT0 H +ATOM 4391 OH2 TIP3 2899 9.114 12.050 -4.424 0.00 0.00 WT0 O +ATOM 4392 H1 TIP3 2899 9.224 12.870 -3.944 0.00 0.00 WT0 H +ATOM 4393 H2 TIP3 2899 8.854 12.320 -5.304 0.00 0.00 WT0 H +ATOM 4394 OH2 TIP3 2900 -18.084 17.450 -16.026 0.00 0.00 WT0 O +ATOM 4395 H1 TIP3 2900 -17.724 17.710 -15.186 0.00 0.00 WT0 H +ATOM 4396 H2 TIP3 2900 -17.364 17.010 -16.466 0.00 0.00 WT0 H +ATOM 4397 OH2 TIP3 2901 -12.545 20.504 8.751 0.00 0.00 WT0 O +ATOM 4398 H1 TIP3 2901 -12.415 21.424 8.991 0.00 0.00 WT0 H +ATOM 4399 H2 TIP3 2901 -11.965 20.354 8.011 0.00 0.00 WT0 H +ATOM 4400 OH2 TIP3 2903 23.563 17.206 9.762 0.00 0.00 WT0 O +ATOM 4401 H1 TIP3 2903 23.383 18.036 9.332 0.00 0.00 WT0 H +ATOM 4402 H2 TIP3 2903 22.733 16.736 9.752 0.00 0.00 WT0 H +ATOM 4403 OH2 TIP3 2904 -6.740 20.701 1.205 0.00 0.00 WT0 O +ATOM 4404 H1 TIP3 2904 -7.300 21.121 0.545 0.00 0.00 WT0 H +ATOM 4405 H2 TIP3 2904 -6.640 21.371 1.885 0.00 0.00 WT0 H +ATOM 4406 OH2 TIP3 2906 23.346 1.962 -11.049 0.00 0.00 WT0 O +ATOM 4407 H1 TIP3 2906 23.166 1.832 -10.119 0.00 0.00 WT0 H +ATOM 4408 H2 TIP3 2906 22.576 1.602 -11.499 0.00 0.00 WT0 H +ATOM 4409 OH2 TIP3 2908 -10.222 -14.917 12.743 0.00 0.00 WT0 O +ATOM 4410 H1 TIP3 2908 -11.172 -14.857 12.573 0.00 0.00 WT0 H +ATOM 4411 H2 TIP3 2908 -10.062 -14.277 13.433 0.00 0.00 WT0 H +ATOM 4412 OH2 TIP3 2909 -23.899 4.299 -3.361 0.00 0.00 WT0 O +ATOM 4413 H1 TIP3 2909 -23.829 5.129 -3.831 0.00 0.00 WT0 H +ATOM 4414 H2 TIP3 2909 -24.399 3.729 -3.941 0.00 0.00 WT0 H +ATOM 4415 OH2 TIP3 2910 23.571 14.639 -8.304 0.00 0.00 WT0 O +ATOM 4416 H1 TIP3 2910 22.751 14.569 -7.824 0.00 0.00 WT0 H +ATOM 4417 H2 TIP3 2910 23.531 15.499 -8.724 0.00 0.00 WT0 H +ATOM 4418 OH2 TIP3 2911 -1.957 12.312 -4.941 0.00 0.00 WT0 O +ATOM 4419 H1 TIP3 2911 -1.317 13.002 -5.131 0.00 0.00 WT0 H +ATOM 4420 H2 TIP3 2911 -2.617 12.392 -5.631 0.00 0.00 WT0 H +ATOM 4421 OH2 TIP3 2913 23.291 -7.800 2.025 0.00 0.00 WT0 O +ATOM 4422 H1 TIP3 2913 23.121 -6.890 2.265 0.00 0.00 WT0 H +ATOM 4423 H2 TIP3 2913 24.241 -7.890 2.085 0.00 0.00 WT0 H +ATOM 4424 OH2 TIP3 2918 -15.003 -16.174 -10.105 0.00 0.00 WT0 O +ATOM 4425 H1 TIP3 2918 -15.693 -15.524 -10.195 0.00 0.00 WT0 H +ATOM 4426 H2 TIP3 2918 -14.493 -16.094 -10.915 0.00 0.00 WT0 H +ATOM 4427 OH2 TIP3 2919 -9.134 -12.212 -22.295 0.00 0.00 WT0 O +ATOM 4428 H1 TIP3 2919 -9.174 -12.972 -21.715 0.00 0.00 WT0 H +ATOM 4429 H2 TIP3 2919 -8.574 -11.582 -21.845 0.00 0.00 WT0 H +ATOM 4430 OH2 TIP3 2922 2.750 -10.335 -13.961 0.00 0.00 WT0 O +ATOM 4431 H1 TIP3 2922 2.140 -9.985 -14.621 0.00 0.00 WT0 H +ATOM 4432 H2 TIP3 2922 2.400 -10.015 -13.131 0.00 0.00 WT0 H +ATOM 4433 OH2 TIP3 2923 6.277 -6.792 -24.335 0.00 0.00 WT0 O +ATOM 4434 H1 TIP3 2923 7.077 -7.182 -23.975 0.00 0.00 WT0 H +ATOM 4435 H2 TIP3 2923 6.537 -5.912 -24.605 0.00 0.00 WT0 H +ATOM 4436 OH2 TIP3 2925 20.539 2.652 -15.221 0.00 0.00 WT0 O +ATOM 4437 H1 TIP3 2925 21.439 2.992 -15.151 0.00 0.00 WT0 H +ATOM 4438 H2 TIP3 2925 20.559 2.082 -15.981 0.00 0.00 WT0 H +ATOM 4439 OH2 TIP3 2927 14.505 17.702 6.993 0.00 0.00 WT0 O +ATOM 4440 H1 TIP3 2927 14.485 18.642 6.833 0.00 0.00 WT0 H +ATOM 4441 H2 TIP3 2927 14.905 17.612 7.863 0.00 0.00 WT0 H +ATOM 4442 OH2 TIP3 2928 -1.723 -3.998 13.392 0.00 0.00 WT0 O +ATOM 4443 H1 TIP3 2928 -0.783 -4.168 13.492 0.00 0.00 WT0 H +ATOM 4444 H2 TIP3 2928 -1.793 -3.048 13.292 0.00 0.00 WT0 H +ATOM 4445 OH2 TIP3 2929 20.927 -1.972 -0.953 0.00 0.00 WT0 O +ATOM 4446 H1 TIP3 2929 19.987 -1.982 -1.083 0.00 0.00 WT0 H +ATOM 4447 H2 TIP3 2929 21.237 -1.252 -1.513 0.00 0.00 WT0 H +ATOM 4448 OH2 TIP3 2930 -7.080 23.581 -0.381 0.00 0.00 WT0 O +ATOM 4449 H1 TIP3 2930 -7.230 24.061 -1.191 0.00 0.00 WT0 H +ATOM 4450 H2 TIP3 2930 -7.720 23.951 0.229 0.00 0.00 WT0 H +ATOM 4451 OH2 TIP3 2932 3.737 10.961 20.921 0.00 0.00 WT0 O +ATOM 4452 H1 TIP3 2932 4.147 11.651 20.391 0.00 0.00 WT0 H +ATOM 4453 H2 TIP3 2932 3.457 10.301 20.291 0.00 0.00 WT0 H +ATOM 4454 OH2 TIP3 2933 13.677 -1.518 -23.291 0.00 0.00 WT0 O +ATOM 4455 H1 TIP3 2933 13.357 -1.928 -24.101 0.00 0.00 WT0 H +ATOM 4456 H2 TIP3 2933 13.257 -2.008 -22.591 0.00 0.00 WT0 H +ATOM 4457 OH2 TIP3 2934 9.838 9.163 -15.963 0.00 0.00 WT0 O +ATOM 4458 H1 TIP3 2934 9.988 10.093 -15.773 0.00 0.00 WT0 H +ATOM 4459 H2 TIP3 2934 10.688 8.753 -15.813 0.00 0.00 WT0 H +ATOM 4460 OH2 TIP3 2936 23.529 -9.423 25.152 0.00 0.00 WT0 O +ATOM 4461 H1 TIP3 2936 23.989 -10.193 25.492 0.00 0.00 WT0 H +ATOM 4462 H2 TIP3 2936 24.139 -9.043 24.522 0.00 0.00 WT0 H +ATOM 4463 OH2 TIP3 2941 23.777 -5.865 -7.132 0.00 0.00 WT0 O +ATOM 4464 H1 TIP3 2941 23.477 -6.455 -7.822 0.00 0.00 WT0 H +ATOM 4465 H2 TIP3 2941 24.027 -6.445 -6.412 0.00 0.00 WT0 H +ATOM 4466 OH2 TIP3 2943 16.524 7.002 20.600 0.00 0.00 WT0 O +ATOM 4467 H1 TIP3 2943 15.764 6.672 20.130 0.00 0.00 WT0 H +ATOM 4468 H2 TIP3 2943 16.194 7.752 21.100 0.00 0.00 WT0 H +ATOM 4469 OH2 TIP3 2944 17.687 -12.351 2.125 0.00 0.00 WT0 O +ATOM 4470 H1 TIP3 2944 18.457 -12.901 1.965 0.00 0.00 WT0 H +ATOM 4471 H2 TIP3 2944 17.887 -11.531 1.685 0.00 0.00 WT0 H +ATOM 4472 OH2 TIP3 2946 16.574 7.129 10.550 0.00 0.00 WT0 O +ATOM 4473 H1 TIP3 2946 16.734 7.709 9.800 0.00 0.00 WT0 H +ATOM 4474 H2 TIP3 2946 17.284 6.489 10.520 0.00 0.00 WT0 H +ATOM 4475 OH2 TIP3 2951 -9.846 -11.852 -17.564 0.00 0.00 WT0 O +ATOM 4476 H1 TIP3 2951 -9.496 -11.312 -18.274 0.00 0.00 WT0 H +ATOM 4477 H2 TIP3 2951 -9.326 -11.602 -16.804 0.00 0.00 WT0 H +ATOM 4478 OH2 TIP3 2952 -4.011 5.178 21.589 0.00 0.00 WT0 O +ATOM 4479 H1 TIP3 2952 -4.891 5.058 21.239 0.00 0.00 WT0 H +ATOM 4480 H2 TIP3 2952 -3.451 5.258 20.819 0.00 0.00 WT0 H +ATOM 4481 OH2 TIP3 2953 13.247 0.759 5.666 0.00 0.00 WT0 O +ATOM 4482 H1 TIP3 2953 13.877 0.409 5.026 0.00 0.00 WT0 H +ATOM 4483 H2 TIP3 2953 12.647 1.299 5.146 0.00 0.00 WT0 H +ATOM 4484 OH2 TIP3 2955 14.318 -4.685 -13.911 0.00 0.00 WT0 O +ATOM 4485 H1 TIP3 2955 14.838 -5.475 -14.041 0.00 0.00 WT0 H +ATOM 4486 H2 TIP3 2955 13.838 -4.845 -13.091 0.00 0.00 WT0 H +ATOM 4487 OH2 TIP3 2957 -1.295 -0.903 -13.213 0.00 0.00 WT0 O +ATOM 4488 H1 TIP3 2957 -1.425 -1.843 -13.123 0.00 0.00 WT0 H +ATOM 4489 H2 TIP3 2957 -0.715 -0.813 -13.973 0.00 0.00 WT0 H +ATOM 4490 OH2 TIP3 2960 2.556 14.864 10.219 0.00 0.00 WT0 O +ATOM 4491 H1 TIP3 2960 2.496 14.484 11.099 0.00 0.00 WT0 H +ATOM 4492 H2 TIP3 2960 3.496 14.854 10.019 0.00 0.00 WT0 H +ATOM 4493 OH2 TIP3 2961 -24.956 -19.792 -12.841 0.00 0.00 WT0 O +ATOM 4494 H1 TIP3 2961 -25.146 -18.972 -13.281 0.00 0.00 WT0 H +ATOM 4495 H2 TIP3 2961 -24.916 -19.562 -11.911 0.00 0.00 WT0 H +ATOM 4496 OH2 TIP3 2963 5.007 -14.504 21.832 0.00 0.00 WT0 O +ATOM 4497 H1 TIP3 2963 4.707 -13.744 21.352 0.00 0.00 WT0 H +ATOM 4498 H2 TIP3 2963 5.577 -14.974 21.222 0.00 0.00 WT0 H +ATOM 4499 OH2 TIP3 2965 -5.914 -7.627 -19.718 0.00 0.00 WT0 O +ATOM 4500 H1 TIP3 2965 -6.724 -7.277 -20.068 0.00 0.00 WT0 H +ATOM 4501 H2 TIP3 2965 -5.344 -7.717 -20.488 0.00 0.00 WT0 H +ATOM 4502 OH2 TIP3 2966 -7.661 11.762 14.645 0.00 0.00 WT0 O +ATOM 4503 H1 TIP3 2966 -7.001 12.382 14.335 0.00 0.00 WT0 H +ATOM 4504 H2 TIP3 2966 -7.211 10.922 14.635 0.00 0.00 WT0 H +ATOM 4505 OH2 TIP3 2967 18.607 15.444 -24.131 0.00 0.00 WT0 O +ATOM 4506 H1 TIP3 2967 18.187 15.394 -23.281 0.00 0.00 WT0 H +ATOM 4507 H2 TIP3 2967 19.397 14.904 -24.041 0.00 0.00 WT0 H +ATOM 4508 OH2 TIP3 2969 -0.312 19.136 -20.820 0.00 0.00 WT0 O +ATOM 4509 H1 TIP3 2969 0.458 19.186 -21.380 0.00 0.00 WT0 H +ATOM 4510 H2 TIP3 2969 -0.382 18.216 -20.580 0.00 0.00 WT0 H +ATOM 4511 OH2 TIP3 2972 21.959 -13.976 8.329 0.00 0.00 WT0 O +ATOM 4512 H1 TIP3 2972 21.449 -13.336 8.829 0.00 0.00 WT0 H +ATOM 4513 H2 TIP3 2972 22.639 -13.446 7.899 0.00 0.00 WT0 H +ATOM 4514 OH2 TIP3 2975 24.374 24.207 19.689 0.00 0.00 WT0 O +ATOM 4515 H1 TIP3 2975 24.834 24.097 20.529 0.00 0.00 WT0 H +ATOM 4516 H2 TIP3 2975 24.974 23.837 19.039 0.00 0.00 WT0 H +ATOM 4517 OH2 TIP3 2979 -4.422 5.100 13.472 0.00 0.00 WT0 O +ATOM 4518 H1 TIP3 2979 -4.572 4.700 12.622 0.00 0.00 WT0 H +ATOM 4519 H2 TIP3 2979 -3.652 5.650 13.352 0.00 0.00 WT0 H +ATOM 4520 OH2 TIP3 2983 -10.179 -22.632 14.161 0.00 0.00 WT0 O +ATOM 4521 H1 TIP3 2983 -10.229 -23.152 13.361 0.00 0.00 WT0 H +ATOM 4522 H2 TIP3 2983 -9.669 -21.852 13.911 0.00 0.00 WT0 H +ATOM 4523 OH2 TIP3 2986 15.040 25.024 -16.118 0.00 0.00 WT0 O +ATOM 4524 H1 TIP3 2986 15.020 24.534 -16.938 0.00 0.00 WT0 H +ATOM 4525 H2 TIP3 2986 15.880 24.784 -15.718 0.00 0.00 WT0 H +ATOM 4526 OH2 TIP3 2988 0.828 -1.552 -5.268 0.00 0.00 WT0 O +ATOM 4527 H1 TIP3 2988 0.448 -1.432 -4.398 0.00 0.00 WT0 H +ATOM 4528 H2 TIP3 2988 1.748 -1.772 -5.098 0.00 0.00 WT0 H +ATOM 4529 OH2 TIP3 2989 -21.634 6.531 24.136 0.00 0.00 WT0 O +ATOM 4530 H1 TIP3 2989 -21.634 6.721 25.076 0.00 0.00 WT0 H +ATOM 4531 H2 TIP3 2989 -21.584 5.581 24.086 0.00 0.00 WT0 H +ATOM 4532 OH2 TIP3 2991 9.998 -4.657 -8.011 0.00 0.00 WT0 O +ATOM 4533 H1 TIP3 2991 9.528 -5.477 -7.911 0.00 0.00 WT0 H +ATOM 4534 H2 TIP3 2991 10.348 -4.467 -7.141 0.00 0.00 WT0 H +ATOM 4535 OH2 TIP3 2992 -13.173 6.753 -11.408 0.00 0.00 WT0 O +ATOM 4536 H1 TIP3 2992 -13.983 6.273 -11.248 0.00 0.00 WT0 H +ATOM 4537 H2 TIP3 2992 -13.073 7.323 -10.648 0.00 0.00 WT0 H +ATOM 4538 OH2 TIP3 2993 -24.500 15.201 5.213 0.00 0.00 WT0 O +ATOM 4539 H1 TIP3 2993 -23.580 15.361 5.433 0.00 0.00 WT0 H +ATOM 4540 H2 TIP3 2993 -24.550 15.331 4.273 0.00 0.00 WT0 H +ATOM 4541 OH2 TIP3 2994 20.783 -11.923 9.966 0.00 0.00 WT0 O +ATOM 4542 H1 TIP3 2994 20.543 -12.403 10.756 0.00 0.00 WT0 H +ATOM 4543 H2 TIP3 2994 21.613 -11.503 10.176 0.00 0.00 WT0 H +ATOM 4544 OH2 TIP3 2996 -10.261 -10.436 -14.345 0.00 0.00 WT0 O +ATOM 4545 H1 TIP3 2996 -11.111 -10.086 -14.615 0.00 0.00 WT0 H +ATOM 4546 H2 TIP3 2996 -9.941 -9.806 -13.705 0.00 0.00 WT0 H +ATOM 4547 OH2 TIP3 3006 3.379 -10.537 2.392 0.00 0.00 WT0 O +ATOM 4548 H1 TIP3 3006 3.149 -10.827 3.282 0.00 0.00 WT0 H +ATOM 4549 H2 TIP3 3006 2.939 -11.177 1.822 0.00 0.00 WT0 H +ATOM 4550 OH2 TIP3 3010 21.865 6.634 7.541 0.00 0.00 WT0 O +ATOM 4551 H1 TIP3 3010 21.505 6.454 6.671 0.00 0.00 WT0 H +ATOM 4552 H2 TIP3 3010 22.805 6.484 7.441 0.00 0.00 WT0 H +ATOM 4553 OH2 TIP3 3011 -21.875 -7.613 9.277 0.00 0.00 WT0 O +ATOM 4554 H1 TIP3 3011 -20.995 -7.973 9.217 0.00 0.00 WT0 H +ATOM 4555 H2 TIP3 3011 -22.405 -8.343 9.617 0.00 0.00 WT0 H +ATOM 4556 OH2 TIP3 3012 -0.813 1.469 -20.460 0.00 0.00 WT0 O +ATOM 4557 H1 TIP3 3012 -1.363 2.129 -20.880 0.00 0.00 WT0 H +ATOM 4558 H2 TIP3 3012 -0.733 0.769 -21.100 0.00 0.00 WT0 H +ATOM 4559 OH2 TIP3 3013 21.013 -24.078 -3.049 0.00 0.00 WT0 O +ATOM 4560 H1 TIP3 3013 20.233 -24.498 -2.689 0.00 0.00 WT0 H +ATOM 4561 H2 TIP3 3013 20.993 -24.268 -3.979 0.00 0.00 WT0 H +ATOM 4562 OH2 TIP3 3016 3.229 -23.489 10.479 0.00 0.00 WT0 O +ATOM 4563 H1 TIP3 3016 2.539 -23.079 9.959 0.00 0.00 WT0 H +ATOM 4564 H2 TIP3 3016 3.539 -24.209 9.939 0.00 0.00 WT0 H +ATOM 4565 OH2 TIP3 3017 -20.482 17.009 -16.101 0.00 0.00 WT0 O +ATOM 4566 H1 TIP3 3017 -19.622 16.629 -15.921 0.00 0.00 WT0 H +ATOM 4567 H2 TIP3 3017 -20.352 17.549 -16.881 0.00 0.00 WT0 H +ATOM 4568 OH2 TIP3 3022 -5.033 -7.370 17.080 0.00 0.00 WT0 O +ATOM 4569 H1 TIP3 3022 -4.453 -7.940 17.580 0.00 0.00 WT0 H +ATOM 4570 H2 TIP3 3022 -4.613 -7.310 16.220 0.00 0.00 WT0 H +ATOM 4571 OH2 TIP3 3027 -23.665 10.851 -3.470 0.00 0.00 WT0 O +ATOM 4572 H1 TIP3 3027 -23.765 11.301 -2.630 0.00 0.00 WT0 H +ATOM 4573 H2 TIP3 3027 -24.355 11.221 -4.020 0.00 0.00 WT0 H +ATOM 4574 OH2 TIP3 3029 -16.931 -2.245 -13.801 0.00 0.00 WT0 O +ATOM 4575 H1 TIP3 3029 -16.801 -1.785 -14.631 0.00 0.00 WT0 H +ATOM 4576 H2 TIP3 3029 -16.581 -1.655 -13.141 0.00 0.00 WT0 H +ATOM 4577 OH2 TIP3 3030 16.497 3.551 4.893 0.00 0.00 WT0 O +ATOM 4578 H1 TIP3 3030 17.327 4.021 4.943 0.00 0.00 WT0 H +ATOM 4579 H2 TIP3 3030 16.587 2.841 5.533 0.00 0.00 WT0 H +ATOM 4580 OH2 TIP3 3031 -23.145 4.636 11.446 0.00 0.00 WT0 O +ATOM 4581 H1 TIP3 3031 -23.765 4.766 12.156 0.00 0.00 WT0 H +ATOM 4582 H2 TIP3 3031 -23.655 4.226 10.746 0.00 0.00 WT0 H +ATOM 4583 OH2 TIP3 3033 24.313 13.871 -23.221 0.00 0.00 WT0 O +ATOM 4584 H1 TIP3 3033 25.183 14.011 -22.851 0.00 0.00 WT0 H +ATOM 4585 H2 TIP3 3033 24.393 14.121 -24.141 0.00 0.00 WT0 H +ATOM 4586 OH2 TIP3 3037 13.593 -7.552 14.954 0.00 0.00 WT0 O +ATOM 4587 H1 TIP3 3037 12.813 -7.422 15.494 0.00 0.00 WT0 H +ATOM 4588 H2 TIP3 3037 13.493 -6.942 14.224 0.00 0.00 WT0 H +ATOM 4589 OH2 TIP3 3046 -18.983 -18.649 5.826 0.00 0.00 WT0 O +ATOM 4590 H1 TIP3 3046 -18.523 -19.219 5.206 0.00 0.00 WT0 H +ATOM 4591 H2 TIP3 3046 -18.293 -18.309 6.386 0.00 0.00 WT0 H +ATOM 4592 OH2 TIP3 3048 2.244 19.753 15.217 0.00 0.00 WT0 O +ATOM 4593 H1 TIP3 3048 1.354 19.833 14.867 0.00 0.00 WT0 H +ATOM 4594 H2 TIP3 3048 2.484 20.643 15.467 0.00 0.00 WT0 H +ATOM 4595 OH2 TIP3 3049 -19.383 -18.150 -19.255 0.00 0.00 WT0 O +ATOM 4596 H1 TIP3 3049 -20.093 -18.130 -18.615 0.00 0.00 WT0 H +ATOM 4597 H2 TIP3 3049 -18.953 -18.990 -19.105 0.00 0.00 WT0 H +ATOM 4598 OH2 TIP3 3050 24.646 9.383 23.005 0.00 0.00 WT0 O +ATOM 4599 H1 TIP3 3050 25.116 9.723 22.245 0.00 0.00 WT0 H +ATOM 4600 H2 TIP3 3050 25.116 8.573 23.235 0.00 0.00 WT0 H +ATOM 4601 OH2 TIP3 3053 14.824 -17.279 -0.752 0.00 0.00 WT0 O +ATOM 4602 H1 TIP3 3053 15.414 -17.709 -1.362 0.00 0.00 WT0 H +ATOM 4603 H2 TIP3 3053 14.314 -16.679 -1.292 0.00 0.00 WT0 H +ATOM 4604 OH2 TIP3 3057 22.306 -9.771 17.256 0.00 0.00 WT0 O +ATOM 4605 H1 TIP3 3057 22.076 -8.951 16.836 0.00 0.00 WT0 H +ATOM 4606 H2 TIP3 3057 22.136 -10.441 16.596 0.00 0.00 WT0 H +ATOM 4607 OH2 TIP3 3070 -3.043 -11.435 -22.765 0.00 0.00 WT0 O +ATOM 4608 H1 TIP3 3070 -3.253 -10.645 -23.275 0.00 0.00 WT0 H +ATOM 4609 H2 TIP3 3070 -3.853 -11.615 -22.275 0.00 0.00 WT0 H +ATOM 4610 OH2 TIP3 3071 -6.404 -23.363 -23.349 0.00 0.00 WT0 O +ATOM 4611 H1 TIP3 3071 -7.034 -22.703 -23.609 0.00 0.00 WT0 H +ATOM 4612 H2 TIP3 3071 -6.714 -23.693 -22.509 0.00 0.00 WT0 H +ATOM 4613 OH2 TIP3 3072 1.721 18.742 -22.525 0.00 0.00 WT0 O +ATOM 4614 H1 TIP3 3072 1.701 17.852 -22.885 0.00 0.00 WT0 H +ATOM 4615 H2 TIP3 3072 2.001 19.292 -23.255 0.00 0.00 WT0 H +ATOM 4616 OH2 TIP3 3073 3.263 5.362 -19.118 0.00 0.00 WT0 O +ATOM 4617 H1 TIP3 3073 2.563 5.912 -18.778 0.00 0.00 WT0 H +ATOM 4618 H2 TIP3 3073 3.853 5.982 -19.568 0.00 0.00 WT0 H +ATOM 4619 OH2 TIP3 3075 1.733 -10.574 8.175 0.00 0.00 WT0 O +ATOM 4620 H1 TIP3 3075 1.423 -9.694 7.965 0.00 0.00 WT0 H +ATOM 4621 H2 TIP3 3075 2.683 -10.524 8.065 0.00 0.00 WT0 H +ATOM 4622 OH2 TIP3 3079 23.413 -12.216 -3.463 0.00 0.00 WT0 O +ATOM 4623 H1 TIP3 3079 24.203 -11.956 -3.943 0.00 0.00 WT0 H +ATOM 4624 H2 TIP3 3079 23.423 -11.676 -2.673 0.00 0.00 WT0 H +ATOM 4625 OH2 TIP3 3080 -6.284 -7.623 -16.832 0.00 0.00 WT0 O +ATOM 4626 H1 TIP3 3080 -6.884 -7.863 -17.532 0.00 0.00 WT0 H +ATOM 4627 H2 TIP3 3080 -5.594 -8.283 -16.862 0.00 0.00 WT0 H +ATOM 4628 OH2 TIP3 3081 19.593 15.894 -2.227 0.00 0.00 WT0 O +ATOM 4629 H1 TIP3 3081 18.813 16.364 -2.537 0.00 0.00 WT0 H +ATOM 4630 H2 TIP3 3081 19.713 16.204 -1.327 0.00 0.00 WT0 H +ATOM 4631 OH2 TIP3 3085 -14.686 -22.520 9.627 0.00 0.00 WT0 O +ATOM 4632 H1 TIP3 3085 -15.136 -22.710 10.447 0.00 0.00 WT0 H +ATOM 4633 H2 TIP3 3085 -14.656 -23.360 9.167 0.00 0.00 WT0 H +ATOM 4634 OH2 TIP3 3086 23.537 -19.751 -10.560 0.00 0.00 WT0 O +ATOM 4635 H1 TIP3 3086 24.487 -19.611 -10.540 0.00 0.00 WT0 H +ATOM 4636 H2 TIP3 3086 23.267 -19.421 -11.420 0.00 0.00 WT0 H +ATOM 4637 OH2 TIP3 3091 16.816 8.335 0.180 0.00 0.00 WT0 O +ATOM 4638 H1 TIP3 3091 17.346 8.815 -0.460 0.00 0.00 WT0 H +ATOM 4639 H2 TIP3 3091 16.776 7.435 -0.160 0.00 0.00 WT0 H +ATOM 4640 OH2 TIP3 3094 -7.695 -6.421 -8.298 0.00 0.00 WT0 O +ATOM 4641 H1 TIP3 3094 -8.095 -7.201 -7.918 0.00 0.00 WT0 H +ATOM 4642 H2 TIP3 3094 -8.425 -5.911 -8.638 0.00 0.00 WT0 H +ATOM 4643 OH2 TIP3 3095 -20.693 24.725 19.882 0.00 0.00 WT0 O +ATOM 4644 H1 TIP3 3095 -20.313 24.075 20.472 0.00 0.00 WT0 H +ATOM 4645 H2 TIP3 3095 -21.203 25.295 20.452 0.00 0.00 WT0 H +ATOM 4646 OH2 TIP3 3096 1.057 14.127 -15.407 0.00 0.00 WT0 O +ATOM 4647 H1 TIP3 3096 1.887 13.697 -15.187 0.00 0.00 WT0 H +ATOM 4648 H2 TIP3 3096 1.207 15.047 -15.177 0.00 0.00 WT0 H +ATOM 4649 OH2 TIP3 3097 1.666 -16.388 -22.656 0.00 0.00 WT0 O +ATOM 4650 H1 TIP3 3097 0.796 -16.228 -23.026 0.00 0.00 WT0 H +ATOM 4651 H2 TIP3 3097 2.236 -15.788 -23.136 0.00 0.00 WT0 H +ATOM 4652 OH2 TIP3 3102 -22.736 17.929 23.122 0.00 0.00 WT0 O +ATOM 4653 H1 TIP3 3102 -22.156 17.509 22.492 0.00 0.00 WT0 H +ATOM 4654 H2 TIP3 3102 -22.196 18.059 23.902 0.00 0.00 WT0 H +ATOM 4655 OH2 TIP3 3103 13.703 -25.290 -13.549 0.00 0.00 WT0 O +ATOM 4656 H1 TIP3 3103 13.913 -25.650 -14.409 0.00 0.00 WT0 H +ATOM 4657 H2 TIP3 3103 14.013 -24.390 -13.569 0.00 0.00 WT0 H +ATOM 4658 OH2 TIP3 3104 21.173 4.425 1.931 0.00 0.00 WT0 O +ATOM 4659 H1 TIP3 3104 20.823 3.615 1.551 0.00 0.00 WT0 H +ATOM 4660 H2 TIP3 3104 21.323 5.005 1.191 0.00 0.00 WT0 H +ATOM 4661 OH2 TIP3 3108 -22.057 -5.526 22.191 0.00 0.00 WT0 O +ATOM 4662 H1 TIP3 3108 -22.667 -6.226 21.981 0.00 0.00 WT0 H +ATOM 4663 H2 TIP3 3108 -22.467 -5.046 22.901 0.00 0.00 WT0 H +ATOM 4664 OH2 TIP3 3109 24.495 14.855 11.756 0.00 0.00 WT0 O +ATOM 4665 H1 TIP3 3109 24.275 15.545 11.126 0.00 0.00 WT0 H +ATOM 4666 H2 TIP3 3109 23.645 14.555 12.076 0.00 0.00 WT0 H +ATOM 4667 OH2 TIP3 3111 5.503 -21.940 -7.429 0.00 0.00 WT0 O +ATOM 4668 H1 TIP3 3111 5.043 -21.100 -7.379 0.00 0.00 WT0 H +ATOM 4669 H2 TIP3 3111 6.233 -21.780 -8.029 0.00 0.00 WT0 H +ATOM 4670 OH2 TIP3 3113 -19.404 -10.517 20.731 0.00 0.00 WT0 O +ATOM 4671 H1 TIP3 3113 -19.994 -10.127 20.091 0.00 0.00 WT0 H +ATOM 4672 H2 TIP3 3113 -18.544 -10.177 20.491 0.00 0.00 WT0 H +ATOM 4673 OH2 TIP3 3114 -4.035 -4.476 -15.675 0.00 0.00 WT0 O +ATOM 4674 H1 TIP3 3114 -4.355 -4.096 -14.855 0.00 0.00 WT0 H +ATOM 4675 H2 TIP3 3114 -3.085 -4.486 -15.585 0.00 0.00 WT0 H +ATOM 4676 OH2 TIP3 3115 -11.724 -22.818 18.530 0.00 0.00 WT0 O +ATOM 4677 H1 TIP3 3115 -11.804 -22.458 17.640 0.00 0.00 WT0 H +ATOM 4678 H2 TIP3 3115 -11.704 -23.768 18.400 0.00 0.00 WT0 H +ATOM 4679 OH2 TIP3 3119 15.441 -7.335 -13.304 0.00 0.00 WT0 O +ATOM 4680 H1 TIP3 3119 16.311 -7.115 -12.964 0.00 0.00 WT0 H +ATOM 4681 H2 TIP3 3119 15.371 -8.285 -13.184 0.00 0.00 WT0 H +ATOM 4682 OH2 TIP3 3120 -15.123 3.197 3.917 0.00 0.00 WT0 O +ATOM 4683 H1 TIP3 3120 -15.833 2.607 4.187 0.00 0.00 WT0 H +ATOM 4684 H2 TIP3 3120 -14.653 2.717 3.227 0.00 0.00 WT0 H +ATOM 4685 OH2 TIP3 3121 -0.040 8.202 13.659 0.00 0.00 WT0 O +ATOM 4686 H1 TIP3 3121 -0.080 8.622 12.799 0.00 0.00 WT0 H +ATOM 4687 H2 TIP3 3121 0.200 8.902 14.269 0.00 0.00 WT0 H +ATOM 4688 OH2 TIP3 3129 -19.285 -9.548 16.075 0.00 0.00 WT0 O +ATOM 4689 H1 TIP3 3129 -19.225 -8.728 16.575 0.00 0.00 WT0 H +ATOM 4690 H2 TIP3 3129 -18.575 -10.088 16.425 0.00 0.00 WT0 H +ATOM 4691 OH2 TIP3 3131 -9.793 20.363 0.433 0.00 0.00 WT0 O +ATOM 4692 H1 TIP3 3131 -9.823 20.223 -0.517 0.00 0.00 WT0 H +ATOM 4693 H2 TIP3 3131 -10.273 19.613 0.803 0.00 0.00 WT0 H +ATOM 4694 OH2 TIP3 3134 -1.432 6.885 -16.741 0.00 0.00 WT0 O +ATOM 4695 H1 TIP3 3134 -2.082 7.565 -16.901 0.00 0.00 WT0 H +ATOM 4696 H2 TIP3 3134 -1.952 6.125 -16.451 0.00 0.00 WT0 H +ATOM 4697 OH2 TIP3 3136 -19.896 11.981 -15.815 0.00 0.00 WT0 O +ATOM 4698 H1 TIP3 3136 -19.386 12.651 -16.275 0.00 0.00 WT0 H +ATOM 4699 H2 TIP3 3136 -19.246 11.401 -15.425 0.00 0.00 WT0 H +ATOM 4700 OH2 TIP3 3138 -15.802 18.149 1.112 0.00 0.00 WT0 O +ATOM 4701 H1 TIP3 3138 -15.632 17.969 0.192 0.00 0.00 WT0 H +ATOM 4702 H2 TIP3 3138 -16.112 17.319 1.462 0.00 0.00 WT0 H +ATOM 4703 OH2 TIP3 3139 -13.473 2.353 1.202 0.00 0.00 WT0 O +ATOM 4704 H1 TIP3 3139 -12.853 2.773 1.802 0.00 0.00 WT0 H +ATOM 4705 H2 TIP3 3139 -12.973 2.203 0.402 0.00 0.00 WT0 H +ATOM 4706 OH2 TIP3 3140 -18.081 6.321 -24.951 0.00 0.00 WT0 O +ATOM 4707 H1 TIP3 3140 -18.541 5.501 -24.751 0.00 0.00 WT0 H +ATOM 4708 H2 TIP3 3140 -17.921 6.281 -25.901 0.00 0.00 WT0 H +ATOM 4709 OH2 TIP3 3142 6.350 19.571 -9.880 0.00 0.00 WT0 O +ATOM 4710 H1 TIP3 3142 6.780 19.811 -9.060 0.00 0.00 WT0 H +ATOM 4711 H2 TIP3 3142 6.720 20.171 -10.530 0.00 0.00 WT0 H +ATOM 4712 OH2 TIP3 3143 -17.110 17.586 22.842 0.00 0.00 WT0 O +ATOM 4713 H1 TIP3 3143 -16.280 17.836 22.432 0.00 0.00 WT0 H +ATOM 4714 H2 TIP3 3143 -17.130 18.056 23.672 0.00 0.00 WT0 H +ATOM 4715 OH2 TIP3 3144 -15.939 8.685 15.797 0.00 0.00 WT0 O +ATOM 4716 H1 TIP3 3144 -15.829 9.245 15.027 0.00 0.00 WT0 H +ATOM 4717 H2 TIP3 3144 -16.289 7.865 15.447 0.00 0.00 WT0 H +ATOM 4718 OH2 TIP3 3145 7.845 -15.395 22.189 0.00 0.00 WT0 O +ATOM 4719 H1 TIP3 3145 8.235 -16.155 22.609 0.00 0.00 WT0 H +ATOM 4720 H2 TIP3 3145 6.905 -15.495 22.339 0.00 0.00 WT0 H +ATOM 4721 OH2 TIP3 3150 8.280 -24.026 -14.970 0.00 0.00 WT0 O +ATOM 4722 H1 TIP3 3150 8.680 -24.886 -14.950 0.00 0.00 WT0 H +ATOM 4723 H2 TIP3 3150 8.790 -23.536 -15.610 0.00 0.00 WT0 H +ATOM 4724 OH2 TIP3 3152 -21.299 13.095 -12.730 0.00 0.00 WT0 O +ATOM 4725 H1 TIP3 3152 -21.269 14.035 -12.920 0.00 0.00 WT0 H +ATOM 4726 H2 TIP3 3152 -20.519 12.735 -13.150 0.00 0.00 WT0 H +ATOM 4727 OH2 TIP3 3154 -9.585 -20.449 -5.756 0.00 0.00 WT0 O +ATOM 4728 H1 TIP3 3154 -9.435 -21.239 -5.236 0.00 0.00 WT0 H +ATOM 4729 H2 TIP3 3154 -9.575 -19.739 -5.116 0.00 0.00 WT0 H +ATOM 4730 OH2 TIP3 3156 4.607 -17.881 3.962 0.00 0.00 WT0 O +ATOM 4731 H1 TIP3 3156 4.787 -18.691 3.492 0.00 0.00 WT0 H +ATOM 4732 H2 TIP3 3156 5.397 -17.721 4.482 0.00 0.00 WT0 H +ATOM 4733 OH2 TIP3 3157 -13.930 12.100 -14.039 0.00 0.00 WT0 O +ATOM 4734 H1 TIP3 3157 -13.110 12.590 -14.059 0.00 0.00 WT0 H +ATOM 4735 H2 TIP3 3157 -14.280 12.260 -13.159 0.00 0.00 WT0 H +ATOM 4736 OH2 TIP3 3158 -22.116 16.859 12.589 0.00 0.00 WT0 O +ATOM 4737 H1 TIP3 3158 -21.446 16.999 11.919 0.00 0.00 WT0 H +ATOM 4738 H2 TIP3 3158 -22.916 16.679 12.089 0.00 0.00 WT0 H +ATOM 4739 OH2 TIP3 3159 5.007 15.046 4.229 0.00 0.00 WT0 O +ATOM 4740 H1 TIP3 3159 4.827 14.486 4.989 0.00 0.00 WT0 H +ATOM 4741 H2 TIP3 3159 4.227 15.586 4.149 0.00 0.00 WT0 H +ATOM 4742 OH2 TIP3 3160 11.126 -8.668 -15.029 0.00 0.00 WT0 O +ATOM 4743 H1 TIP3 3160 11.496 -8.058 -14.399 0.00 0.00 WT0 H +ATOM 4744 H2 TIP3 3160 11.586 -9.488 -14.859 0.00 0.00 WT0 H +ATOM 4745 OH2 TIP3 3161 -16.406 24.474 15.826 0.00 0.00 WT0 O +ATOM 4746 H1 TIP3 3161 -15.796 23.874 16.266 0.00 0.00 WT0 H +ATOM 4747 H2 TIP3 3161 -17.236 24.364 16.296 0.00 0.00 WT0 H +ATOM 4748 OH2 TIP3 3163 23.191 -14.340 3.957 0.00 0.00 WT0 O +ATOM 4749 H1 TIP3 3163 22.471 -14.550 4.537 0.00 0.00 WT0 H +ATOM 4750 H2 TIP3 3163 23.901 -14.930 4.217 0.00 0.00 WT0 H +ATOM 4751 OH2 TIP3 3164 14.747 -3.785 -21.378 0.00 0.00 WT0 O +ATOM 4752 H1 TIP3 3164 15.287 -3.575 -22.138 0.00 0.00 WT0 H +ATOM 4753 H2 TIP3 3164 15.377 -4.075 -20.718 0.00 0.00 WT0 H +ATOM 4754 OH2 TIP3 3167 1.908 9.665 -15.051 0.00 0.00 WT0 O +ATOM 4755 H1 TIP3 3167 1.408 8.845 -15.081 0.00 0.00 WT0 H +ATOM 4756 H2 TIP3 3167 2.818 9.395 -15.091 0.00 0.00 WT0 H +ATOM 4757 OH2 TIP3 3169 10.014 -16.542 19.651 0.00 0.00 WT0 O +ATOM 4758 H1 TIP3 3169 9.674 -17.002 18.881 0.00 0.00 WT0 H +ATOM 4759 H2 TIP3 3169 10.654 -15.922 19.301 0.00 0.00 WT0 H +ATOM 4760 OH2 TIP3 3173 12.790 21.506 -19.024 0.00 0.00 WT0 O +ATOM 4761 H1 TIP3 3173 12.990 21.576 -18.094 0.00 0.00 WT0 H +ATOM 4762 H2 TIP3 3173 13.020 20.606 -19.254 0.00 0.00 WT0 H +ATOM 4763 OH2 TIP3 3175 15.254 -3.239 -2.909 0.00 0.00 WT0 O +ATOM 4764 H1 TIP3 3175 14.364 -3.089 -3.219 0.00 0.00 WT0 H +ATOM 4765 H2 TIP3 3175 15.244 -4.129 -2.569 0.00 0.00 WT0 H +ATOM 4766 OH2 TIP3 3176 17.958 15.480 6.533 0.00 0.00 WT0 O +ATOM 4767 H1 TIP3 3176 18.848 15.820 6.553 0.00 0.00 WT0 H +ATOM 4768 H2 TIP3 3176 17.778 15.210 7.443 0.00 0.00 WT0 H +ATOM 4769 OH2 TIP3 3177 -14.811 17.849 21.444 0.00 0.00 WT0 O +ATOM 4770 H1 TIP3 3177 -13.881 17.779 21.674 0.00 0.00 WT0 H +ATOM 4771 H2 TIP3 3177 -14.921 17.229 20.724 0.00 0.00 WT0 H +ATOM 4772 OH2 TIP3 3181 23.730 17.154 5.849 0.00 0.00 WT0 O +ATOM 4773 H1 TIP3 3181 23.150 16.854 6.549 0.00 0.00 WT0 H +ATOM 4774 H2 TIP3 3181 24.590 16.804 6.079 0.00 0.00 WT0 H +ATOM 4775 OH2 TIP3 3183 9.644 12.843 14.857 0.00 0.00 WT0 O +ATOM 4776 H1 TIP3 3183 10.034 12.283 15.527 0.00 0.00 WT0 H +ATOM 4777 H2 TIP3 3183 10.394 13.133 14.327 0.00 0.00 WT0 H +ATOM 4778 OH2 TIP3 3184 8.228 -5.088 -14.405 0.00 0.00 WT0 O +ATOM 4779 H1 TIP3 3184 7.748 -4.268 -14.505 0.00 0.00 WT0 H +ATOM 4780 H2 TIP3 3184 7.578 -5.768 -14.545 0.00 0.00 WT0 H +ATOM 4781 OH2 TIP3 3185 20.527 -0.340 -24.998 0.00 0.00 WT0 O +ATOM 4782 H1 TIP3 3185 20.157 -0.020 -24.168 0.00 0.00 WT0 H +ATOM 4783 H2 TIP3 3185 21.367 0.120 -25.068 0.00 0.00 WT0 H +ATOM 4784 OH2 TIP3 3186 9.764 -17.984 -23.994 0.00 0.00 WT0 O +ATOM 4785 H1 TIP3 3186 10.624 -17.834 -24.384 0.00 0.00 WT0 H +ATOM 4786 H2 TIP3 3186 9.894 -18.734 -23.414 0.00 0.00 WT0 H +ATOM 4787 OH2 TIP3 3187 11.701 -13.189 -21.068 0.00 0.00 WT0 O +ATOM 4788 H1 TIP3 3187 12.541 -13.259 -20.628 0.00 0.00 WT0 H +ATOM 4789 H2 TIP3 3187 11.461 -12.269 -20.988 0.00 0.00 WT0 H +ATOM 4790 OH2 TIP3 3189 -9.732 5.535 -23.042 0.00 0.00 WT0 O +ATOM 4791 H1 TIP3 3189 -9.972 6.375 -23.412 0.00 0.00 WT0 H +ATOM 4792 H2 TIP3 3189 -9.782 5.665 -22.092 0.00 0.00 WT0 H +ATOM 4793 OH2 TIP3 3192 -10.247 -15.738 -4.909 0.00 0.00 WT0 O +ATOM 4794 H1 TIP3 3192 -11.137 -15.538 -5.219 0.00 0.00 WT0 H +ATOM 4795 H2 TIP3 3192 -9.877 -16.318 -5.579 0.00 0.00 WT0 H +ATOM 4796 OH2 TIP3 3193 18.995 22.535 0.060 0.00 0.00 WT0 O +ATOM 4797 H1 TIP3 3193 19.415 23.385 0.190 0.00 0.00 WT0 H +ATOM 4798 H2 TIP3 3193 19.205 22.295 -0.850 0.00 0.00 WT0 H +ATOM 4799 OH2 TIP3 3196 -25.032 -12.975 4.640 0.00 0.00 WT0 O +ATOM 4800 H1 TIP3 3196 -25.102 -12.705 5.560 0.00 0.00 WT0 H +ATOM 4801 H2 TIP3 3196 -24.982 -13.925 4.670 0.00 0.00 WT0 H +ATOM 4802 OH2 TIP3 3197 9.355 19.817 -3.931 0.00 0.00 WT0 O +ATOM 4803 H1 TIP3 3197 9.215 20.047 -3.011 0.00 0.00 WT0 H +ATOM 4804 H2 TIP3 3197 10.195 20.227 -4.151 0.00 0.00 WT0 H +ATOM 4805 OH2 TIP3 3198 -10.002 -5.048 -9.565 0.00 0.00 WT0 O +ATOM 4806 H1 TIP3 3198 -10.892 -5.008 -9.205 0.00 0.00 WT0 H +ATOM 4807 H2 TIP3 3198 -10.122 -5.298 -10.475 0.00 0.00 WT0 H +ATOM 4808 OH2 TIP3 3203 13.969 -20.497 20.325 0.00 0.00 WT0 O +ATOM 4809 H1 TIP3 3203 13.599 -20.397 21.205 0.00 0.00 WT0 H +ATOM 4810 H2 TIP3 3203 14.689 -19.857 20.295 0.00 0.00 WT0 H +ATOM 4811 OH2 TIP3 3205 6.044 -12.873 17.076 0.00 0.00 WT0 O +ATOM 4812 H1 TIP3 3205 6.684 -12.913 16.366 0.00 0.00 WT0 H +ATOM 4813 H2 TIP3 3205 5.644 -12.013 16.996 0.00 0.00 WT0 H +ATOM 4814 OH2 TIP3 3207 20.094 -1.452 8.230 0.00 0.00 WT0 O +ATOM 4815 H1 TIP3 3207 19.944 -2.392 8.120 0.00 0.00 WT0 H +ATOM 4816 H2 TIP3 3207 20.854 -1.402 8.820 0.00 0.00 WT0 H +ATOM 4817 OH2 TIP3 3210 18.567 12.794 -15.718 0.00 0.00 WT0 O +ATOM 4818 H1 TIP3 3210 17.787 12.264 -15.598 0.00 0.00 WT0 H +ATOM 4819 H2 TIP3 3210 18.237 13.624 -16.058 0.00 0.00 WT0 H +ATOM 4820 OH2 TIP3 3214 2.880 -19.473 16.034 0.00 0.00 WT0 O +ATOM 4821 H1 TIP3 3214 2.740 -19.813 16.914 0.00 0.00 WT0 H +ATOM 4822 H2 TIP3 3214 2.300 -20.003 15.474 0.00 0.00 WT0 H +ATOM 4823 OH2 TIP3 3218 -20.191 -12.774 -4.691 0.00 0.00 WT0 O +ATOM 4824 H1 TIP3 3218 -20.121 -11.824 -4.571 0.00 0.00 WT0 H +ATOM 4825 H2 TIP3 3218 -19.501 -12.984 -5.321 0.00 0.00 WT0 H +ATOM 4826 OH2 TIP3 3220 19.083 -5.051 2.659 0.00 0.00 WT0 O +ATOM 4827 H1 TIP3 3220 18.503 -4.401 3.059 0.00 0.00 WT0 H +ATOM 4828 H2 TIP3 3220 19.303 -5.651 3.369 0.00 0.00 WT0 H +ATOM 4829 OH2 TIP3 3221 7.665 24.507 2.591 0.00 0.00 WT0 O +ATOM 4830 H1 TIP3 3221 7.805 24.937 3.431 0.00 0.00 WT0 H +ATOM 4831 H2 TIP3 3221 8.235 24.967 1.981 0.00 0.00 WT0 H +ATOM 4832 OH2 TIP3 3223 17.841 0.428 14.016 0.00 0.00 WT0 O +ATOM 4833 H1 TIP3 3223 17.961 -0.332 13.446 0.00 0.00 WT0 H +ATOM 4834 H2 TIP3 3223 18.701 0.858 14.026 0.00 0.00 WT0 H +ATOM 4835 OH2 TIP3 3224 -4.020 -17.261 -2.226 0.00 0.00 WT0 O +ATOM 4836 H1 TIP3 3224 -3.190 -17.071 -1.796 0.00 0.00 WT0 H +ATOM 4837 H2 TIP3 3224 -4.060 -16.651 -2.956 0.00 0.00 WT0 H +ATOM 4838 OH2 TIP3 3225 -21.604 6.004 -23.430 0.00 0.00 WT0 O +ATOM 4839 H1 TIP3 3225 -22.034 5.194 -23.150 0.00 0.00 WT0 H +ATOM 4840 H2 TIP3 3225 -20.754 5.994 -22.990 0.00 0.00 WT0 H +ATOM 4841 OH2 TIP3 3226 -12.056 -3.902 6.635 0.00 0.00 WT0 O +ATOM 4842 H1 TIP3 3226 -11.206 -4.142 7.005 0.00 0.00 WT0 H +ATOM 4843 H2 TIP3 3226 -12.306 -4.652 6.085 0.00 0.00 WT0 H +ATOM 4844 OH2 TIP3 3227 2.308 3.483 4.913 0.00 0.00 WT0 O +ATOM 4845 H1 TIP3 3227 1.858 3.993 4.243 0.00 0.00 WT0 H +ATOM 4846 H2 TIP3 3227 2.398 2.613 4.533 0.00 0.00 WT0 H +ATOM 4847 OH2 TIP3 3228 -16.944 -21.426 8.189 0.00 0.00 WT0 O +ATOM 4848 H1 TIP3 3228 -17.084 -22.136 7.549 0.00 0.00 WT0 H +ATOM 4849 H2 TIP3 3228 -16.604 -21.876 8.969 0.00 0.00 WT0 H +ATOM 4850 OH2 TIP3 3233 -19.732 12.054 7.172 0.00 0.00 WT0 O +ATOM 4851 H1 TIP3 3233 -19.422 12.364 8.022 0.00 0.00 WT0 H +ATOM 4852 H2 TIP3 3233 -20.322 11.334 7.372 0.00 0.00 WT0 H +ATOM 4853 OH2 TIP3 3234 -8.212 -1.353 19.623 0.00 0.00 WT0 O +ATOM 4854 H1 TIP3 3234 -9.062 -1.293 20.063 0.00 0.00 WT0 H +ATOM 4855 H2 TIP3 3234 -7.892 -2.233 19.823 0.00 0.00 WT0 H +ATOM 4856 OH2 TIP3 3236 6.174 21.320 16.999 0.00 0.00 WT0 O +ATOM 4857 H1 TIP3 3236 5.504 20.670 17.209 0.00 0.00 WT0 H +ATOM 4858 H2 TIP3 3236 5.774 21.860 16.319 0.00 0.00 WT0 H +ATOM 4859 OH2 TIP3 3239 -0.173 1.849 -8.109 0.00 0.00 WT0 O +ATOM 4860 H1 TIP3 3239 -0.683 1.769 -8.919 0.00 0.00 WT0 H +ATOM 4861 H2 TIP3 3239 0.277 1.009 -8.029 0.00 0.00 WT0 H +ATOM 4862 OH2 TIP3 3241 7.934 -16.545 16.442 0.00 0.00 WT0 O +ATOM 4863 H1 TIP3 3241 8.634 -15.995 16.792 0.00 0.00 WT0 H +ATOM 4864 H2 TIP3 3241 8.264 -17.435 16.552 0.00 0.00 WT0 H +ATOM 4865 OH2 TIP3 3243 15.306 11.414 18.005 0.00 0.00 WT0 O +ATOM 4866 H1 TIP3 3243 15.236 12.314 17.705 0.00 0.00 WT0 H +ATOM 4867 H2 TIP3 3243 15.296 10.894 17.205 0.00 0.00 WT0 H +ATOM 4868 OH2 TIP3 3244 1.010 14.546 20.546 0.00 0.00 WT0 O +ATOM 4869 H1 TIP3 3244 1.500 14.886 19.796 0.00 0.00 WT0 H +ATOM 4870 H2 TIP3 3244 0.220 14.166 20.166 0.00 0.00 WT0 H +ATOM 4871 OH2 TIP3 3245 -8.694 -5.822 -14.035 0.00 0.00 WT0 O +ATOM 4872 H1 TIP3 3245 -8.394 -6.402 -13.345 0.00 0.00 WT0 H +ATOM 4873 H2 TIP3 3245 -7.894 -5.602 -14.525 0.00 0.00 WT0 H +ATOM 4874 OH2 TIP3 3246 6.026 -3.631 16.265 0.00 0.00 WT0 O +ATOM 4875 H1 TIP3 3246 5.186 -3.771 15.825 0.00 0.00 WT0 H +ATOM 4876 H2 TIP3 3246 5.786 -3.171 17.075 0.00 0.00 WT0 H +ATOM 4877 OH2 TIP3 3248 -23.383 24.826 16.572 0.00 0.00 WT0 O +ATOM 4878 H1 TIP3 3248 -22.943 25.546 17.012 0.00 0.00 WT0 H +ATOM 4879 H2 TIP3 3248 -23.273 24.076 17.162 0.00 0.00 WT0 H +ATOM 4880 OH2 TIP3 3249 0.627 21.018 -10.724 0.00 0.00 WT0 O +ATOM 4881 H1 TIP3 3249 0.127 20.218 -10.534 0.00 0.00 WT0 H +ATOM 4882 H2 TIP3 3249 1.017 20.858 -11.584 0.00 0.00 WT0 H +ATOM 4883 OH2 TIP3 3257 -2.507 7.980 -2.974 0.00 0.00 WT0 O +ATOM 4884 H1 TIP3 3257 -2.847 8.720 -2.464 0.00 0.00 WT0 H +ATOM 4885 H2 TIP3 3257 -2.077 8.380 -3.724 0.00 0.00 WT0 H +ATOM 4886 OH2 TIP3 3258 1.011 -11.660 -11.685 0.00 0.00 WT0 O +ATOM 4887 H1 TIP3 3258 0.581 -11.390 -10.875 0.00 0.00 WT0 H +ATOM 4888 H2 TIP3 3258 1.921 -11.410 -11.575 0.00 0.00 WT0 H +ATOM 4889 OH2 TIP3 3262 6.294 8.482 18.552 0.00 0.00 WT0 O +ATOM 4890 H1 TIP3 3262 5.424 8.412 18.952 0.00 0.00 WT0 H +ATOM 4891 H2 TIP3 3262 6.814 7.802 18.982 0.00 0.00 WT0 H +ATOM 4892 OH2 TIP3 3263 19.084 6.201 16.346 0.00 0.00 WT0 O +ATOM 4893 H1 TIP3 3263 19.384 5.311 16.516 0.00 0.00 WT0 H +ATOM 4894 H2 TIP3 3263 18.804 6.521 17.206 0.00 0.00 WT0 H +ATOM 4895 OH2 TIP3 3264 19.689 -22.751 -23.210 0.00 0.00 WT0 O +ATOM 4896 H1 TIP3 3264 20.489 -23.201 -23.470 0.00 0.00 WT0 H +ATOM 4897 H2 TIP3 3264 18.989 -23.241 -23.640 0.00 0.00 WT0 H +ATOM 4898 OH2 TIP3 3266 -15.165 -10.161 6.236 0.00 0.00 WT0 O +ATOM 4899 H1 TIP3 3266 -14.405 -10.381 6.776 0.00 0.00 WT0 H +ATOM 4900 H2 TIP3 3266 -15.155 -10.801 5.526 0.00 0.00 WT0 H +ATOM 4901 OH2 TIP3 3267 24.025 0.537 -4.606 0.00 0.00 WT0 O +ATOM 4902 H1 TIP3 3267 23.495 -0.183 -4.956 0.00 0.00 WT0 H +ATOM 4903 H2 TIP3 3267 23.395 1.227 -4.416 0.00 0.00 WT0 H +ATOM 4904 OH2 TIP3 3268 -11.444 18.589 2.305 0.00 0.00 WT0 O +ATOM 4905 H1 TIP3 3268 -12.254 19.109 2.305 0.00 0.00 WT0 H +ATOM 4906 H2 TIP3 3268 -11.284 18.399 3.235 0.00 0.00 WT0 H +ATOM 4907 OH2 TIP3 3269 17.236 -20.009 -0.155 0.00 0.00 WT0 O +ATOM 4908 H1 TIP3 3269 17.286 -20.279 -1.065 0.00 0.00 WT0 H +ATOM 4909 H2 TIP3 3269 17.886 -19.319 -0.065 0.00 0.00 WT0 H +ATOM 4910 OH2 TIP3 3270 9.303 -1.115 -9.033 0.00 0.00 WT0 O +ATOM 4911 H1 TIP3 3270 9.773 -1.805 -9.493 0.00 0.00 WT0 H +ATOM 4912 H2 TIP3 3270 9.823 -0.965 -8.233 0.00 0.00 WT0 H +ATOM 4913 OH2 TIP3 3271 -22.754 -23.697 18.636 0.00 0.00 WT0 O +ATOM 4914 H1 TIP3 3271 -22.924 -22.837 18.236 0.00 0.00 WT0 H +ATOM 4915 H2 TIP3 3271 -21.844 -23.657 18.906 0.00 0.00 WT0 H +ATOM 4916 OH2 TIP3 3273 -12.835 4.284 18.179 0.00 0.00 WT0 O +ATOM 4917 H1 TIP3 3273 -11.995 4.654 17.899 0.00 0.00 WT0 H +ATOM 4918 H2 TIP3 3273 -12.695 4.024 19.089 0.00 0.00 WT0 H +ATOM 4919 OH2 TIP3 3274 23.029 -19.495 16.533 0.00 0.00 WT0 O +ATOM 4920 H1 TIP3 3274 23.069 -20.405 16.223 0.00 0.00 WT0 H +ATOM 4921 H2 TIP3 3274 23.549 -19.495 17.333 0.00 0.00 WT0 H +ATOM 4922 OH2 TIP3 3276 -17.197 -3.937 11.072 0.00 0.00 WT0 O +ATOM 4923 H1 TIP3 3276 -17.577 -3.857 11.952 0.00 0.00 WT0 H +ATOM 4924 H2 TIP3 3276 -17.877 -4.387 10.562 0.00 0.00 WT0 H +ATOM 4925 OH2 TIP3 3277 -10.662 9.902 13.320 0.00 0.00 WT0 O +ATOM 4926 H1 TIP3 3277 -10.142 9.192 13.700 0.00 0.00 WT0 H +ATOM 4927 H2 TIP3 3277 -10.312 10.702 13.730 0.00 0.00 WT0 H +ATOM 4928 OH2 TIP3 3278 -9.695 -16.486 0.470 0.00 0.00 WT0 O +ATOM 4929 H1 TIP3 3278 -9.185 -17.286 0.280 0.00 0.00 WT0 H +ATOM 4930 H2 TIP3 3278 -9.795 -16.066 -0.380 0.00 0.00 WT0 H +ATOM 4931 OH2 TIP3 3279 23.724 17.238 -9.733 0.00 0.00 WT0 O +ATOM 4932 H1 TIP3 3279 23.944 17.698 -10.533 0.00 0.00 WT0 H +ATOM 4933 H2 TIP3 3279 22.984 17.738 -9.373 0.00 0.00 WT0 H +ATOM 4934 OH2 TIP3 3280 3.047 8.959 7.139 0.00 0.00 WT0 O +ATOM 4935 H1 TIP3 3280 3.807 9.399 6.759 0.00 0.00 WT0 H +ATOM 4936 H2 TIP3 3280 2.457 9.659 7.399 0.00 0.00 WT0 H +ATOM 4937 OH2 TIP3 3282 -1.626 10.900 4.700 0.00 0.00 WT0 O +ATOM 4938 H1 TIP3 3282 -2.126 10.590 3.940 0.00 0.00 WT0 H +ATOM 4939 H2 TIP3 3282 -1.706 10.190 5.330 0.00 0.00 WT0 H +ATOM 4940 OH2 TIP3 3283 3.419 -0.219 2.159 0.00 0.00 WT0 O +ATOM 4941 H1 TIP3 3283 2.899 0.371 1.629 0.00 0.00 WT0 H +ATOM 4942 H2 TIP3 3283 2.799 -0.609 2.769 0.00 0.00 WT0 H +ATOM 4943 OH2 TIP3 3285 1.404 -17.479 24.752 0.00 0.00 WT0 O +ATOM 4944 H1 TIP3 3285 1.764 -16.619 24.522 0.00 0.00 WT0 H +ATOM 4945 H2 TIP3 3285 0.454 -17.359 24.682 0.00 0.00 WT0 H +ATOM 4946 OH2 TIP3 3287 -19.163 0.828 17.622 0.00 0.00 WT0 O +ATOM 4947 H1 TIP3 3287 -18.373 0.298 17.652 0.00 0.00 WT0 H +ATOM 4948 H2 TIP3 3287 -18.873 1.708 17.862 0.00 0.00 WT0 H +ATOM 4949 OH2 TIP3 3288 17.944 1.354 -16.695 0.00 0.00 WT0 O +ATOM 4950 H1 TIP3 3288 17.874 1.934 -17.455 0.00 0.00 WT0 H +ATOM 4951 H2 TIP3 3288 17.164 1.554 -16.175 0.00 0.00 WT0 H +ATOM 4952 OH2 TIP3 3289 -0.061 -15.021 5.710 0.00 0.00 WT0 O +ATOM 4953 H1 TIP3 3289 0.039 -14.421 4.970 0.00 0.00 WT0 H +ATOM 4954 H2 TIP3 3289 0.769 -15.511 5.730 0.00 0.00 WT0 H +ATOM 4955 OH2 TIP3 3290 -1.514 -7.976 -8.931 0.00 0.00 WT0 O +ATOM 4956 H1 TIP3 3290 -2.454 -7.896 -9.101 0.00 0.00 WT0 H +ATOM 4957 H2 TIP3 3290 -1.144 -7.146 -9.211 0.00 0.00 WT0 H +ATOM 4958 OH2 TIP3 3293 23.374 14.460 -1.685 0.00 0.00 WT0 O +ATOM 4959 H1 TIP3 3293 23.104 14.770 -0.815 0.00 0.00 WT0 H +ATOM 4960 H2 TIP3 3293 23.194 15.200 -2.265 0.00 0.00 WT0 H +ATOM 4961 OH2 TIP3 3295 0.867 23.156 15.337 0.00 0.00 WT0 O +ATOM 4962 H1 TIP3 3295 0.647 24.086 15.267 0.00 0.00 WT0 H +ATOM 4963 H2 TIP3 3295 0.037 22.736 15.547 0.00 0.00 WT0 H +ATOM 4964 OH2 TIP3 3296 -12.309 -22.671 3.886 0.00 0.00 WT0 O +ATOM 4965 H1 TIP3 3296 -11.479 -23.111 4.056 0.00 0.00 WT0 H +ATOM 4966 H2 TIP3 3296 -12.089 -21.741 3.856 0.00 0.00 WT0 H +ATOM 4967 OH2 TIP3 3298 -16.964 0.655 -13.315 0.00 0.00 WT0 O +ATOM 4968 H1 TIP3 3298 -16.144 1.105 -13.105 0.00 0.00 WT0 H +ATOM 4969 H2 TIP3 3298 -17.404 1.235 -13.935 0.00 0.00 WT0 H +ATOM 4970 OH2 TIP3 3301 -8.131 15.616 -21.719 0.00 0.00 WT0 O +ATOM 4971 H1 TIP3 3301 -8.311 16.446 -21.269 0.00 0.00 WT0 H +ATOM 4972 H2 TIP3 3301 -7.281 15.736 -22.119 0.00 0.00 WT0 H +ATOM 4973 OH2 TIP3 3302 10.248 -23.980 5.835 0.00 0.00 WT0 O +ATOM 4974 H1 TIP3 3302 9.408 -23.590 5.565 0.00 0.00 WT0 H +ATOM 4975 H2 TIP3 3302 10.118 -24.230 6.745 0.00 0.00 WT0 H +ATOM 4976 OH2 TIP3 3304 -4.722 -0.086 3.118 0.00 0.00 WT0 O +ATOM 4977 H1 TIP3 3304 -4.662 -0.796 2.478 0.00 0.00 WT0 H +ATOM 4978 H2 TIP3 3304 -5.402 0.484 2.778 0.00 0.00 WT0 H +ATOM 4979 OH2 TIP3 3310 18.120 -9.201 16.155 0.00 0.00 WT0 O +ATOM 4980 H1 TIP3 3310 18.360 -9.891 16.775 0.00 0.00 WT0 H +ATOM 4981 H2 TIP3 3310 17.380 -8.761 16.575 0.00 0.00 WT0 H +ATOM 4982 OH2 TIP3 3311 14.198 -2.081 -6.749 0.00 0.00 WT0 O +ATOM 4983 H1 TIP3 3311 13.998 -1.681 -7.589 0.00 0.00 WT0 H +ATOM 4984 H2 TIP3 3311 13.398 -1.971 -6.229 0.00 0.00 WT0 H +ATOM 4985 OH2 TIP3 3312 -7.013 22.271 4.611 0.00 0.00 WT0 O +ATOM 4986 H1 TIP3 3312 -6.083 22.331 4.821 0.00 0.00 WT0 H +ATOM 4987 H2 TIP3 3312 -7.123 21.381 4.281 0.00 0.00 WT0 H +ATOM 4988 OH2 TIP3 3314 -5.587 1.623 0.900 0.00 0.00 WT0 O +ATOM 4989 H1 TIP3 3314 -6.007 2.323 1.400 0.00 0.00 WT0 H +ATOM 4990 H2 TIP3 3314 -6.107 1.573 0.090 0.00 0.00 WT0 H +ATOM 4991 OH2 TIP3 3315 7.021 -1.317 24.537 0.00 0.00 WT0 O +ATOM 4992 H1 TIP3 3315 6.801 -0.577 25.107 0.00 0.00 WT0 H +ATOM 4993 H2 TIP3 3315 7.411 -1.967 25.117 0.00 0.00 WT0 H +ATOM 4994 OH2 TIP3 3317 0.129 10.932 17.419 0.00 0.00 WT0 O +ATOM 4995 H1 TIP3 3317 0.649 10.332 16.879 0.00 0.00 WT0 H +ATOM 4996 H2 TIP3 3317 -0.641 11.122 16.889 0.00 0.00 WT0 H +ATOM 4997 OH2 TIP3 3319 19.988 12.705 23.225 0.00 0.00 WT0 O +ATOM 4998 H1 TIP3 3319 19.388 12.065 23.605 0.00 0.00 WT0 H +ATOM 4999 H2 TIP3 3319 20.538 12.995 23.955 0.00 0.00 WT0 H +ATOM 5000 OH2 TIP3 3322 -21.843 -23.033 13.256 0.00 0.00 WT0 O +ATOM 5001 H1 TIP3 3322 -22.593 -22.473 13.446 0.00 0.00 WT0 H +ATOM 5002 H2 TIP3 3322 -21.323 -22.533 12.626 0.00 0.00 WT0 H +ATOM 5003 OH2 TIP3 3323 -7.140 2.206 -11.194 0.00 0.00 WT0 O +ATOM 5004 H1 TIP3 3323 -6.800 2.956 -10.714 0.00 0.00 WT0 H +ATOM 5005 H2 TIP3 3323 -8.030 2.456 -11.434 0.00 0.00 WT0 H +ATOM 5006 OH2 TIP3 3325 7.724 7.644 -2.472 0.00 0.00 WT0 O +ATOM 5007 H1 TIP3 3325 8.444 8.234 -2.252 0.00 0.00 WT0 H +ATOM 5008 H2 TIP3 3325 7.364 7.984 -3.292 0.00 0.00 WT0 H +ATOM 5009 OH2 TIP3 3327 6.406 -10.809 -24.566 0.00 0.00 WT0 O +ATOM 5010 H1 TIP3 3327 5.606 -10.869 -24.046 0.00 0.00 WT0 H +ATOM 5011 H2 TIP3 3327 6.236 -10.099 -25.176 0.00 0.00 WT0 H +ATOM 5012 OH2 TIP3 3328 -0.171 -19.497 -16.673 0.00 0.00 WT0 O +ATOM 5013 H1 TIP3 3328 -0.711 -18.737 -16.883 0.00 0.00 WT0 H +ATOM 5014 H2 TIP3 3328 -0.491 -20.197 -17.243 0.00 0.00 WT0 H +ATOM 5015 OH2 TIP3 3329 9.987 0.810 7.276 0.00 0.00 WT0 O +ATOM 5016 H1 TIP3 3329 10.487 0.030 7.506 0.00 0.00 WT0 H +ATOM 5017 H2 TIP3 3329 10.137 1.410 8.006 0.00 0.00 WT0 H +ATOM 5018 OH2 TIP3 3330 -7.650 23.666 -24.829 0.00 0.00 WT0 O +ATOM 5019 H1 TIP3 3330 -7.020 23.266 -25.429 0.00 0.00 WT0 H +ATOM 5020 H2 TIP3 3330 -8.400 23.896 -25.379 0.00 0.00 WT0 H +ATOM 5021 OH2 TIP3 3333 -7.060 -0.820 1.779 0.00 0.00 WT0 O +ATOM 5022 H1 TIP3 3333 -7.470 -1.640 1.499 0.00 0.00 WT0 H +ATOM 5023 H2 TIP3 3333 -6.770 -0.410 0.959 0.00 0.00 WT0 H +ATOM 5024 OH2 TIP3 3335 2.347 -14.379 24.857 0.00 0.00 WT0 O +ATOM 5025 H1 TIP3 3335 2.307 -14.349 23.897 0.00 0.00 WT0 H +ATOM 5026 H2 TIP3 3335 2.257 -13.469 25.127 0.00 0.00 WT0 H +ATOM 5027 OH2 TIP3 3337 4.651 13.987 12.686 0.00 0.00 WT0 O +ATOM 5028 H1 TIP3 3337 5.171 13.817 13.466 0.00 0.00 WT0 H +ATOM 5029 H2 TIP3 3337 3.941 13.347 12.726 0.00 0.00 WT0 H +ATOM 5030 OH2 TIP3 3341 -0.297 4.273 -6.698 0.00 0.00 WT0 O +ATOM 5031 H1 TIP3 3341 -0.177 3.513 -7.258 0.00 0.00 WT0 H +ATOM 5032 H2 TIP3 3341 0.593 4.503 -6.408 0.00 0.00 WT0 H +ATOM 5033 OH2 TIP3 3342 -15.059 -24.464 -6.697 0.00 0.00 WT0 O +ATOM 5034 H1 TIP3 3342 -14.299 -24.194 -6.177 0.00 0.00 WT0 H +ATOM 5035 H2 TIP3 3342 -15.809 -24.044 -6.267 0.00 0.00 WT0 H +ATOM 5036 OH2 TIP3 3344 18.576 21.490 24.707 0.00 0.00 WT0 O +ATOM 5037 H1 TIP3 3344 19.336 21.250 24.177 0.00 0.00 WT0 H +ATOM 5038 H2 TIP3 3344 18.356 20.680 25.187 0.00 0.00 WT0 H +ATOM 5039 OH2 TIP3 3345 1.145 -20.875 14.885 0.00 0.00 WT0 O +ATOM 5040 H1 TIP3 3345 1.185 -21.155 13.965 0.00 0.00 WT0 H +ATOM 5041 H2 TIP3 3345 0.265 -21.125 15.165 0.00 0.00 WT0 H +ATOM 5042 OH2 TIP3 3348 4.593 -16.632 -15.906 0.00 0.00 WT0 O +ATOM 5043 H1 TIP3 3348 4.033 -16.772 -16.676 0.00 0.00 WT0 H +ATOM 5044 H2 TIP3 3348 4.403 -15.742 -15.636 0.00 0.00 WT0 H +ATOM 5045 OH2 TIP3 3349 -7.179 24.155 -11.339 0.00 0.00 WT0 O +ATOM 5046 H1 TIP3 3349 -7.209 25.105 -11.439 0.00 0.00 WT0 H +ATOM 5047 H2 TIP3 3349 -8.049 23.915 -11.019 0.00 0.00 WT0 H +ATOM 5048 OH2 TIP3 3352 8.510 9.904 -11.135 0.00 0.00 WT0 O +ATOM 5049 H1 TIP3 3352 7.810 10.304 -11.645 0.00 0.00 WT0 H +ATOM 5050 H2 TIP3 3352 8.360 8.964 -11.225 0.00 0.00 WT0 H +ATOM 5051 OH2 TIP3 3353 7.086 19.814 -1.087 0.00 0.00 WT0 O +ATOM 5052 H1 TIP3 3353 6.306 20.324 -1.337 0.00 0.00 WT0 H +ATOM 5053 H2 TIP3 3353 7.186 19.984 -0.147 0.00 0.00 WT0 H +ATOM 5054 OH2 TIP3 3354 9.481 3.276 0.632 0.00 0.00 WT0 O +ATOM 5055 H1 TIP3 3354 9.031 4.076 0.352 0.00 0.00 WT0 H +ATOM 5056 H2 TIP3 3354 10.101 3.576 1.302 0.00 0.00 WT0 H +ATOM 5057 OH2 TIP3 3355 -9.177 -4.516 -6.545 0.00 0.00 WT0 O +ATOM 5058 H1 TIP3 3355 -8.767 -3.796 -6.055 0.00 0.00 WT0 H +ATOM 5059 H2 TIP3 3355 -8.447 -5.056 -6.835 0.00 0.00 WT0 H +ATOM 5060 OH2 TIP3 3361 -3.115 17.574 -1.287 0.00 0.00 WT0 O +ATOM 5061 H1 TIP3 3361 -2.195 17.324 -1.207 0.00 0.00 WT0 H +ATOM 5062 H2 TIP3 3361 -3.505 17.354 -0.437 0.00 0.00 WT0 H +ATOM 5063 OH2 TIP3 3362 -0.134 -17.194 -13.373 0.00 0.00 WT0 O +ATOM 5064 H1 TIP3 3362 -0.464 -16.844 -12.553 0.00 0.00 WT0 H +ATOM 5065 H2 TIP3 3362 0.416 -16.494 -13.733 0.00 0.00 WT0 H +ATOM 5066 OH2 TIP3 3363 9.625 -17.869 5.051 0.00 0.00 WT0 O +ATOM 5067 H1 TIP3 3363 10.395 -17.869 5.621 0.00 0.00 WT0 H +ATOM 5068 H2 TIP3 3363 9.755 -18.629 4.481 0.00 0.00 WT0 H +ATOM 5069 OH2 TIP3 3364 -15.407 6.385 -10.119 0.00 0.00 WT0 O +ATOM 5070 H1 TIP3 3364 -15.837 6.885 -9.419 0.00 0.00 WT0 H +ATOM 5071 H2 TIP3 3364 -15.937 5.585 -10.189 0.00 0.00 WT0 H +ATOM 5072 OH2 TIP3 3366 -14.565 0.190 -0.178 0.00 0.00 WT0 O +ATOM 5073 H1 TIP3 3366 -13.625 0.240 -0.318 0.00 0.00 WT0 H +ATOM 5074 H2 TIP3 3366 -14.915 0.970 -0.608 0.00 0.00 WT0 H +ATOM 5075 OH2 TIP3 3369 -0.254 11.901 14.492 0.00 0.00 WT0 O +ATOM 5076 H1 TIP3 3369 -0.234 12.481 13.732 0.00 0.00 WT0 H +ATOM 5077 H2 TIP3 3369 0.666 11.831 14.762 0.00 0.00 WT0 H +ATOM 5078 OH2 TIP3 3370 3.611 -16.358 -4.361 0.00 0.00 WT0 O +ATOM 5079 H1 TIP3 3370 4.401 -15.948 -4.011 0.00 0.00 WT0 H +ATOM 5080 H2 TIP3 3370 3.881 -16.748 -5.191 0.00 0.00 WT0 H +ATOM 5081 OH2 TIP3 3371 2.370 -19.535 11.640 0.00 0.00 WT0 O +ATOM 5082 H1 TIP3 3371 2.490 -19.235 12.540 0.00 0.00 WT0 H +ATOM 5083 H2 TIP3 3371 3.220 -19.905 11.390 0.00 0.00 WT0 H +ATOM 5084 OH2 TIP3 3372 -14.963 16.657 -14.725 0.00 0.00 WT0 O +ATOM 5085 H1 TIP3 3372 -14.493 16.797 -13.905 0.00 0.00 WT0 H +ATOM 5086 H2 TIP3 3372 -14.503 15.917 -15.135 0.00 0.00 WT0 H +ATOM 5087 OH2 TIP3 3373 -21.139 -21.626 10.733 0.00 0.00 WT0 O +ATOM 5088 H1 TIP3 3373 -21.159 -20.686 10.883 0.00 0.00 WT0 H +ATOM 5089 H2 TIP3 3373 -21.479 -21.736 9.843 0.00 0.00 WT0 H +ATOM 5090 OH2 TIP3 3375 24.310 -5.235 21.559 0.00 0.00 WT0 O +ATOM 5091 H1 TIP3 3375 24.770 -4.425 21.749 0.00 0.00 WT0 H +ATOM 5092 H2 TIP3 3375 23.450 -5.125 21.959 0.00 0.00 WT0 H +ATOM 5093 OH2 TIP3 3378 -6.426 13.945 12.879 0.00 0.00 WT0 O +ATOM 5094 H1 TIP3 3378 -5.956 14.595 13.409 0.00 0.00 WT0 H +ATOM 5095 H2 TIP3 3378 -5.786 13.255 12.709 0.00 0.00 WT0 H +ATOM 5096 OH2 TIP3 3381 1.821 -22.928 -2.439 0.00 0.00 WT0 O +ATOM 5097 H1 TIP3 3381 1.331 -22.108 -2.289 0.00 0.00 WT0 H +ATOM 5098 H2 TIP3 3381 1.481 -23.538 -1.789 0.00 0.00 WT0 H +ATOM 5099 OH2 TIP3 3382 -7.375 -17.800 24.481 0.00 0.00 WT0 O +ATOM 5100 H1 TIP3 3382 -7.945 -18.310 25.061 0.00 0.00 WT0 H +ATOM 5101 H2 TIP3 3382 -7.365 -16.930 24.861 0.00 0.00 WT0 H +ATOM 5102 OH2 TIP3 3386 23.424 2.800 -3.261 0.00 0.00 WT0 O +ATOM 5103 H1 TIP3 3386 22.694 2.340 -2.861 0.00 0.00 WT0 H +ATOM 5104 H2 TIP3 3386 23.954 3.100 -2.521 0.00 0.00 WT0 H +ATOM 5105 OH2 TIP3 3387 -13.881 11.461 24.057 0.00 0.00 WT0 O +ATOM 5106 H1 TIP3 3387 -13.891 10.541 24.327 0.00 0.00 WT0 H +ATOM 5107 H2 TIP3 3387 -14.621 11.541 23.447 0.00 0.00 WT0 H +ATOM 5108 OH2 TIP3 3388 -13.356 -11.887 23.986 0.00 0.00 WT0 O +ATOM 5109 H1 TIP3 3388 -14.296 -11.967 23.816 0.00 0.00 WT0 H +ATOM 5110 H2 TIP3 3388 -12.966 -12.607 23.496 0.00 0.00 WT0 H +ATOM 5111 OH2 TIP3 3390 13.784 3.885 -6.578 0.00 0.00 WT0 O +ATOM 5112 H1 TIP3 3390 14.064 3.075 -7.008 0.00 0.00 WT0 H +ATOM 5113 H2 TIP3 3390 13.954 4.575 -7.228 0.00 0.00 WT0 H +ATOM 5114 OH2 TIP3 3392 -17.932 -11.337 1.612 0.00 0.00 WT0 O +ATOM 5115 H1 TIP3 3392 -18.392 -11.237 2.442 0.00 0.00 WT0 H +ATOM 5116 H2 TIP3 3392 -17.112 -10.877 1.732 0.00 0.00 WT0 H +ATOM 5117 OH2 TIP3 3393 2.636 16.561 13.902 0.00 0.00 WT0 O +ATOM 5118 H1 TIP3 3393 2.636 17.011 13.062 0.00 0.00 WT0 H +ATOM 5119 H2 TIP3 3393 3.466 16.801 14.312 0.00 0.00 WT0 H +ATOM 5120 OH2 TIP3 3396 11.177 -13.900 24.769 0.00 0.00 WT0 O +ATOM 5121 H1 TIP3 3396 10.807 -14.160 23.919 0.00 0.00 WT0 H +ATOM 5122 H2 TIP3 3396 11.667 -13.100 24.579 0.00 0.00 WT0 H +ATOM 5123 OH2 TIP3 3397 2.473 -5.819 -20.521 0.00 0.00 WT0 O +ATOM 5124 H1 TIP3 3397 2.683 -6.419 -21.231 0.00 0.00 WT0 H +ATOM 5125 H2 TIP3 3397 2.073 -5.069 -20.951 0.00 0.00 WT0 H +ATOM 5126 OH2 TIP3 3401 0.984 2.509 -24.891 0.00 0.00 WT0 O +ATOM 5127 H1 TIP3 3401 1.284 1.759 -24.381 0.00 0.00 WT0 H +ATOM 5128 H2 TIP3 3401 1.474 3.249 -24.531 0.00 0.00 WT0 H +ATOM 5129 OH2 TIP3 3402 4.534 -10.902 7.801 0.00 0.00 WT0 O +ATOM 5130 H1 TIP3 3402 4.324 -11.752 8.181 0.00 0.00 WT0 H +ATOM 5131 H2 TIP3 3402 5.334 -10.632 8.231 0.00 0.00 WT0 H +ATOM 5132 OH2 TIP3 3404 -19.954 -22.959 17.446 0.00 0.00 WT0 O +ATOM 5133 H1 TIP3 3404 -20.524 -22.189 17.516 0.00 0.00 WT0 H +ATOM 5134 H2 TIP3 3404 -19.124 -22.679 17.826 0.00 0.00 WT0 H +ATOM 5135 OH2 TIP3 3406 -24.422 5.371 15.326 0.00 0.00 WT0 O +ATOM 5136 H1 TIP3 3406 -24.852 6.041 14.796 0.00 0.00 WT0 H +ATOM 5137 H2 TIP3 3406 -24.402 4.601 14.766 0.00 0.00 WT0 H +ATOM 5138 OH2 TIP3 3407 -25.376 6.585 9.576 0.00 0.00 WT0 O +ATOM 5139 H1 TIP3 3407 -25.176 5.715 9.236 0.00 0.00 WT0 H +ATOM 5140 H2 TIP3 3407 -24.526 6.935 9.856 0.00 0.00 WT0 H +ATOM 5141 OH2 TIP3 3408 4.198 3.599 -24.331 0.00 0.00 WT0 O +ATOM 5142 H1 TIP3 3408 4.238 3.569 -25.291 0.00 0.00 WT0 H +ATOM 5143 H2 TIP3 3408 4.558 4.459 -24.101 0.00 0.00 WT0 H +ATOM 5144 OH2 TIP3 3409 3.554 -20.838 -24.219 0.00 0.00 WT0 O +ATOM 5145 H1 TIP3 3409 3.684 -21.778 -24.299 0.00 0.00 WT0 H +ATOM 5146 H2 TIP3 3409 2.704 -20.678 -24.629 0.00 0.00 WT0 H +ATOM 5147 OH2 TIP3 3413 17.805 16.542 12.853 0.00 0.00 WT0 O +ATOM 5148 H1 TIP3 3413 18.005 15.622 12.703 0.00 0.00 WT0 H +ATOM 5149 H2 TIP3 3413 18.655 16.972 12.893 0.00 0.00 WT0 H +ATOM 5150 OH2 TIP3 3418 18.638 -8.741 23.162 0.00 0.00 WT0 O +ATOM 5151 H1 TIP3 3418 19.238 -8.921 22.432 0.00 0.00 WT0 H +ATOM 5152 H2 TIP3 3418 17.998 -8.121 22.802 0.00 0.00 WT0 H +ATOM 5153 OH2 TIP3 3419 17.585 -23.416 17.422 0.00 0.00 WT0 O +ATOM 5154 H1 TIP3 3419 17.515 -24.216 16.902 0.00 0.00 WT0 H +ATOM 5155 H2 TIP3 3419 16.695 -23.076 17.472 0.00 0.00 WT0 H +ATOM 5156 OH2 TIP3 3422 -12.696 1.390 17.259 0.00 0.00 WT0 O +ATOM 5157 H1 TIP3 3422 -12.166 1.690 16.519 0.00 0.00 WT0 H +ATOM 5158 H2 TIP3 3422 -13.346 2.090 17.389 0.00 0.00 WT0 H +ATOM 5159 OH2 TIP3 3424 19.888 -12.730 -11.895 0.00 0.00 WT0 O +ATOM 5160 H1 TIP3 3424 19.698 -12.750 -10.955 0.00 0.00 WT0 H +ATOM 5161 H2 TIP3 3424 20.128 -13.630 -12.105 0.00 0.00 WT0 H +ATOM 5162 OH2 TIP3 3426 17.353 18.749 -2.975 0.00 0.00 WT0 O +ATOM 5163 H1 TIP3 3426 17.543 19.369 -3.685 0.00 0.00 WT0 H +ATOM 5164 H2 TIP3 3426 17.593 19.209 -2.175 0.00 0.00 WT0 H +ATOM 5165 OH2 TIP3 3427 -8.950 21.222 -2.098 0.00 0.00 WT0 O +ATOM 5166 H1 TIP3 3427 -9.140 22.082 -2.468 0.00 0.00 WT0 H +ATOM 5167 H2 TIP3 3427 -7.990 21.172 -2.058 0.00 0.00 WT0 H +ATOM 5168 OH2 TIP3 3428 17.976 -23.759 8.405 0.00 0.00 WT0 O +ATOM 5169 H1 TIP3 3428 18.406 -23.809 9.255 0.00 0.00 WT0 H +ATOM 5170 H2 TIP3 3428 17.976 -22.829 8.195 0.00 0.00 WT0 H +ATOM 5171 OH2 TIP3 3429 19.645 -21.898 15.865 0.00 0.00 WT0 O +ATOM 5172 H1 TIP3 3429 18.915 -22.058 15.275 0.00 0.00 WT0 H +ATOM 5173 H2 TIP3 3429 19.745 -22.718 16.355 0.00 0.00 WT0 H +ATOM 5174 OH2 TIP3 3430 -11.680 -17.162 23.307 0.00 0.00 WT0 O +ATOM 5175 H1 TIP3 3430 -11.850 -17.822 22.637 0.00 0.00 WT0 H +ATOM 5176 H2 TIP3 3430 -11.330 -17.662 24.047 0.00 0.00 WT0 H +ATOM 5177 OH2 TIP3 3434 -23.462 15.133 -24.128 0.00 0.00 WT0 O +ATOM 5178 H1 TIP3 3434 -24.282 15.583 -23.918 0.00 0.00 WT0 H +ATOM 5179 H2 TIP3 3434 -23.052 15.663 -24.808 0.00 0.00 WT0 H +ATOM 5180 OH2 TIP3 3437 6.197 15.458 20.082 0.00 0.00 WT0 O +ATOM 5181 H1 TIP3 3437 6.997 15.328 19.582 0.00 0.00 WT0 H +ATOM 5182 H2 TIP3 3437 6.327 14.958 20.882 0.00 0.00 WT0 H +ATOM 5183 OH2 TIP3 3440 -6.043 -14.458 8.146 0.00 0.00 WT0 O +ATOM 5184 H1 TIP3 3440 -5.303 -14.938 7.756 0.00 0.00 WT0 H +ATOM 5185 H2 TIP3 3440 -6.783 -14.668 7.586 0.00 0.00 WT0 H +ATOM 5186 OH2 TIP3 3442 -12.009 -24.667 10.302 0.00 0.00 WT0 O +ATOM 5187 H1 TIP3 3442 -12.679 -24.557 10.972 0.00 0.00 WT0 H +ATOM 5188 H2 TIP3 3442 -11.299 -24.097 10.572 0.00 0.00 WT0 H +ATOM 5189 OH2 TIP3 3445 -15.751 11.471 22.136 0.00 0.00 WT0 O +ATOM 5190 H1 TIP3 3445 -16.381 11.681 21.446 0.00 0.00 WT0 H +ATOM 5191 H2 TIP3 3445 -15.051 12.121 22.036 0.00 0.00 WT0 H +ATOM 5192 OH2 TIP3 3447 -20.731 -5.656 -9.368 0.00 0.00 WT0 O +ATOM 5193 H1 TIP3 3447 -21.581 -5.606 -9.808 0.00 0.00 WT0 H +ATOM 5194 H2 TIP3 3447 -20.931 -5.486 -8.438 0.00 0.00 WT0 H +ATOM 5195 OH2 TIP3 3448 -18.726 -9.005 13.521 0.00 0.00 WT0 O +ATOM 5196 H1 TIP3 3448 -18.906 -9.875 13.141 0.00 0.00 WT0 H +ATOM 5197 H2 TIP3 3448 -18.676 -9.165 14.461 0.00 0.00 WT0 H +ATOM 5198 OH2 TIP3 3450 -7.223 -0.845 9.314 0.00 0.00 WT0 O +ATOM 5199 H1 TIP3 3450 -7.563 -1.195 8.484 0.00 0.00 WT0 H +ATOM 5200 H2 TIP3 3450 -7.943 -0.345 9.674 0.00 0.00 WT0 H +ATOM 5201 OH2 TIP3 3453 -17.471 23.438 4.294 0.00 0.00 WT0 O +ATOM 5202 H1 TIP3 3453 -16.661 23.188 3.864 0.00 0.00 WT0 H +ATOM 5203 H2 TIP3 3453 -17.281 24.288 4.684 0.00 0.00 WT0 H +ATOM 5204 OH2 TIP3 3455 -19.913 -13.080 -8.514 0.00 0.00 WT0 O +ATOM 5205 H1 TIP3 3455 -19.523 -13.720 -7.904 0.00 0.00 WT0 H +ATOM 5206 H2 TIP3 3455 -20.803 -13.410 -8.654 0.00 0.00 WT0 H +ATOM 5207 OH2 TIP3 3459 -10.045 4.542 24.363 0.00 0.00 WT0 O +ATOM 5208 H1 TIP3 3459 -10.465 3.702 24.543 0.00 0.00 WT0 H +ATOM 5209 H2 TIP3 3459 -9.665 4.812 25.203 0.00 0.00 WT0 H +ATOM 5210 OH2 TIP3 3462 1.198 13.484 5.151 0.00 0.00 WT0 O +ATOM 5211 H1 TIP3 3462 0.298 13.494 5.471 0.00 0.00 WT0 H +ATOM 5212 H2 TIP3 3462 1.148 13.874 4.281 0.00 0.00 WT0 H +ATOM 5213 OH2 TIP3 3467 15.960 -0.389 -18.558 0.00 0.00 WT0 O +ATOM 5214 H1 TIP3 3467 15.610 0.401 -18.968 0.00 0.00 WT0 H +ATOM 5215 H2 TIP3 3467 16.750 -0.099 -18.098 0.00 0.00 WT0 H +ATOM 5216 OH2 TIP3 3470 16.725 21.286 -16.851 0.00 0.00 WT0 O +ATOM 5217 H1 TIP3 3470 16.975 20.426 -16.541 0.00 0.00 WT0 H +ATOM 5218 H2 TIP3 3470 16.765 21.846 -16.071 0.00 0.00 WT0 H +ATOM 5219 OH2 TIP3 3473 -22.887 -23.805 -2.061 0.00 0.00 WT0 O +ATOM 5220 H1 TIP3 3473 -23.807 -23.865 -2.331 0.00 0.00 WT0 H +ATOM 5221 H2 TIP3 3473 -22.557 -23.025 -2.491 0.00 0.00 WT0 H +ATOM 5222 OH2 TIP3 3474 23.805 7.511 -9.410 0.00 0.00 WT0 O +ATOM 5223 H1 TIP3 3474 23.915 6.571 -9.580 0.00 0.00 WT0 H +ATOM 5224 H2 TIP3 3474 23.705 7.901 -10.280 0.00 0.00 WT0 H +ATOM 5225 OH2 TIP3 3476 -11.709 -9.493 -22.065 0.00 0.00 WT0 O +ATOM 5226 H1 TIP3 3476 -11.179 -8.693 -22.115 0.00 0.00 WT0 H +ATOM 5227 H2 TIP3 3476 -11.159 -10.153 -22.485 0.00 0.00 WT0 H +ATOM 5228 OH2 TIP3 3484 -6.769 -17.272 2.035 0.00 0.00 WT0 O +ATOM 5229 H1 TIP3 3484 -7.679 -17.122 2.285 0.00 0.00 WT0 H +ATOM 5230 H2 TIP3 3484 -6.609 -18.192 2.235 0.00 0.00 WT0 H +ATOM 5231 OH2 TIP3 3493 -17.530 -15.319 -9.702 0.00 0.00 WT0 O +ATOM 5232 H1 TIP3 3493 -18.330 -15.789 -9.902 0.00 0.00 WT0 H +ATOM 5233 H2 TIP3 3493 -17.810 -14.549 -9.222 0.00 0.00 WT0 H +ATOM 5234 OH2 TIP3 3496 -10.767 -10.215 18.239 0.00 0.00 WT0 O +ATOM 5235 H1 TIP3 3496 -10.337 -9.415 18.539 0.00 0.00 WT0 H +ATOM 5236 H2 TIP3 3496 -10.097 -10.895 18.289 0.00 0.00 WT0 H +ATOM 5237 OH2 TIP3 3497 -12.542 19.030 -24.483 0.00 0.00 WT0 O +ATOM 5238 H1 TIP3 3497 -13.022 18.630 -25.203 0.00 0.00 WT0 H +ATOM 5239 H2 TIP3 3497 -12.082 19.780 -24.873 0.00 0.00 WT0 H +ATOM 5240 OH2 TIP3 3504 -18.551 11.614 22.199 0.00 0.00 WT0 O +ATOM 5241 H1 TIP3 3504 -18.541 10.654 22.209 0.00 0.00 WT0 H +ATOM 5242 H2 TIP3 3504 -18.151 11.854 21.359 0.00 0.00 WT0 H +ATOM 5243 OH2 TIP3 3511 -17.135 -22.058 -15.613 0.00 0.00 WT0 O +ATOM 5244 H1 TIP3 3511 -17.495 -21.988 -16.503 0.00 0.00 WT0 H +ATOM 5245 H2 TIP3 3511 -16.295 -22.488 -15.733 0.00 0.00 WT0 H +ATOM 5246 OH2 TIP3 3514 -16.390 3.459 -6.965 0.00 0.00 WT0 O +ATOM 5247 H1 TIP3 3514 -17.270 3.379 -6.595 0.00 0.00 WT0 H +ATOM 5248 H2 TIP3 3514 -16.210 2.589 -7.305 0.00 0.00 WT0 H +ATOM 5249 OH2 TIP3 3517 4.073 21.993 -22.691 0.00 0.00 WT0 O +ATOM 5250 H1 TIP3 3517 4.793 21.383 -22.531 0.00 0.00 WT0 H +ATOM 5251 H2 TIP3 3517 4.493 22.783 -23.021 0.00 0.00 WT0 H +ATOM 5252 OH2 TIP3 3521 -11.016 24.812 5.822 0.00 0.00 WT0 O +ATOM 5253 H1 TIP3 3521 -10.466 25.342 6.392 0.00 0.00 WT0 H +ATOM 5254 H2 TIP3 3521 -10.696 23.922 5.942 0.00 0.00 WT0 H +ATOM 5255 OH2 TIP3 3525 16.708 -18.609 -18.975 0.00 0.00 WT0 O +ATOM 5256 H1 TIP3 3525 17.288 -18.439 -18.235 0.00 0.00 WT0 H +ATOM 5257 H2 TIP3 3525 15.848 -18.299 -18.675 0.00 0.00 WT0 H +ATOM 5258 OH2 TIP3 3526 12.636 4.489 20.959 0.00 0.00 WT0 O +ATOM 5259 H1 TIP3 3526 12.776 3.549 20.949 0.00 0.00 WT0 H +ATOM 5260 H2 TIP3 3526 12.376 4.709 20.069 0.00 0.00 WT0 H +ATOM 5261 OH2 TIP3 3527 -22.893 9.977 -12.304 0.00 0.00 WT0 O +ATOM 5262 H1 TIP3 3527 -22.383 10.757 -12.504 0.00 0.00 WT0 H +ATOM 5263 H2 TIP3 3527 -23.673 10.307 -11.854 0.00 0.00 WT0 H +ATOM 5264 OH2 TIP3 3533 24.570 8.860 -2.639 0.00 0.00 WT0 O +ATOM 5265 H1 TIP3 3533 25.460 9.110 -2.889 0.00 0.00 WT0 H +ATOM 5266 H2 TIP3 3533 24.650 7.960 -2.319 0.00 0.00 WT0 H +ATOM 5267 OH2 TIP3 3534 6.463 -6.365 16.386 0.00 0.00 WT0 O +ATOM 5268 H1 TIP3 3534 6.113 -5.485 16.476 0.00 0.00 WT0 H +ATOM 5269 H2 TIP3 3534 6.533 -6.695 17.286 0.00 0.00 WT0 H +ATOM 5270 OH2 TIP3 3537 2.085 13.938 24.682 0.00 0.00 WT0 O +ATOM 5271 H1 TIP3 3537 1.935 14.708 25.232 0.00 0.00 WT0 H +ATOM 5272 H2 TIP3 3537 2.405 14.288 23.852 0.00 0.00 WT0 H +ATOM 5273 OH2 TIP3 3544 18.603 -12.126 8.545 0.00 0.00 WT0 O +ATOM 5274 H1 TIP3 3544 19.483 -12.166 8.935 0.00 0.00 WT0 H +ATOM 5275 H2 TIP3 3544 18.373 -13.046 8.395 0.00 0.00 WT0 H +ATOM 5276 OH2 TIP3 3545 23.971 -12.661 2.056 0.00 0.00 WT0 O +ATOM 5277 H1 TIP3 3545 23.781 -13.511 2.446 0.00 0.00 WT0 H +ATOM 5278 H2 TIP3 3545 24.441 -12.181 2.746 0.00 0.00 WT0 H +ATOM 5279 OH2 TIP3 3548 14.478 -10.035 -10.289 0.00 0.00 WT0 O +ATOM 5280 H1 TIP3 3548 14.248 -10.095 -11.219 0.00 0.00 WT0 H +ATOM 5281 H2 TIP3 3548 13.828 -9.425 -9.929 0.00 0.00 WT0 H +ATOM 5282 OH2 TIP3 3554 -15.953 -11.439 -24.271 0.00 0.00 WT0 O +ATOM 5283 H1 TIP3 3554 -15.383 -12.149 -23.971 0.00 0.00 WT0 H +ATOM 5284 H2 TIP3 3554 -15.423 -10.649 -24.141 0.00 0.00 WT0 H +ATOM 5285 OH2 TIP3 3555 8.285 -17.144 -10.369 0.00 0.00 WT0 O +ATOM 5286 H1 TIP3 3555 7.575 -17.634 -9.949 0.00 0.00 WT0 H +ATOM 5287 H2 TIP3 3555 8.725 -16.694 -9.649 0.00 0.00 WT0 H +ATOM 5288 OH2 TIP3 3556 -22.292 9.791 20.962 0.00 0.00 WT0 O +ATOM 5289 H1 TIP3 3556 -22.092 10.381 21.692 0.00 0.00 WT0 H +ATOM 5290 H2 TIP3 3556 -21.432 9.501 20.652 0.00 0.00 WT0 H +ATOM 5291 OH2 TIP3 3557 -5.562 22.504 -13.908 0.00 0.00 WT0 O +ATOM 5292 H1 TIP3 3557 -4.862 22.944 -14.408 0.00 0.00 WT0 H +ATOM 5293 H2 TIP3 3557 -5.582 22.974 -13.068 0.00 0.00 WT0 H +ATOM 5294 OH2 TIP3 3558 -15.907 0.423 10.146 0.00 0.00 WT0 O +ATOM 5295 H1 TIP3 3558 -16.207 -0.447 10.386 0.00 0.00 WT0 H +ATOM 5296 H2 TIP3 3558 -15.737 0.373 9.206 0.00 0.00 WT0 H +ATOM 5297 OH2 TIP3 3560 8.015 -17.649 -6.625 0.00 0.00 WT0 O +ATOM 5298 H1 TIP3 3560 8.415 -18.219 -7.285 0.00 0.00 WT0 H +ATOM 5299 H2 TIP3 3560 8.535 -17.789 -5.835 0.00 0.00 WT0 H +ATOM 5300 OH2 TIP3 3561 -22.023 -14.930 -9.035 0.00 0.00 WT0 O +ATOM 5301 H1 TIP3 3561 -22.473 -14.800 -8.205 0.00 0.00 WT0 H +ATOM 5302 H2 TIP3 3561 -21.213 -15.370 -8.805 0.00 0.00 WT0 H +ATOM 5303 OH2 TIP3 3562 17.295 -25.042 6.052 0.00 0.00 WT0 O +ATOM 5304 H1 TIP3 3562 17.565 -24.472 6.762 0.00 0.00 WT0 H +ATOM 5305 H2 TIP3 3562 16.335 -24.942 6.022 0.00 0.00 WT0 H +ATOM 5306 OH2 TIP3 3563 7.437 1.231 19.209 0.00 0.00 WT0 O +ATOM 5307 H1 TIP3 3563 6.837 1.851 19.619 0.00 0.00 WT0 H +ATOM 5308 H2 TIP3 3563 7.597 1.591 18.339 0.00 0.00 WT0 H +ATOM 5309 OH2 TIP3 3564 -24.813 6.190 -12.214 0.00 0.00 WT0 O +ATOM 5310 H1 TIP3 3564 -24.173 6.180 -11.504 0.00 0.00 WT0 H +ATOM 5311 H2 TIP3 3564 -24.523 5.490 -12.804 0.00 0.00 WT0 H +ATOM 5312 OH2 TIP3 3569 13.983 -4.991 -6.013 0.00 0.00 WT0 O +ATOM 5313 H1 TIP3 3569 14.343 -4.141 -6.303 0.00 0.00 WT0 H +ATOM 5314 H2 TIP3 3569 14.463 -5.641 -6.533 0.00 0.00 WT0 H +ATOM 5315 OH2 TIP3 3573 -24.343 -4.531 13.003 0.00 0.00 WT0 O +ATOM 5316 H1 TIP3 3573 -25.223 -4.601 12.633 0.00 0.00 WT0 H +ATOM 5317 H2 TIP3 3573 -24.453 -4.771 13.923 0.00 0.00 WT0 H +ATOM 5318 OH2 TIP3 3575 20.107 -21.446 19.558 0.00 0.00 WT0 O +ATOM 5319 H1 TIP3 3575 20.817 -20.836 19.388 0.00 0.00 WT0 H +ATOM 5320 H2 TIP3 3575 20.087 -22.016 18.788 0.00 0.00 WT0 H +ATOM 5321 OH2 TIP3 3576 -5.684 -11.261 19.732 0.00 0.00 WT0 O +ATOM 5322 H1 TIP3 3576 -6.524 -11.161 20.172 0.00 0.00 WT0 H +ATOM 5323 H2 TIP3 3576 -5.354 -10.361 19.632 0.00 0.00 WT0 H +ATOM 5324 OH2 TIP3 3578 -20.395 -22.769 -16.858 0.00 0.00 WT0 O +ATOM 5325 H1 TIP3 3578 -21.195 -22.609 -17.348 0.00 0.00 WT0 H +ATOM 5326 H2 TIP3 3578 -19.965 -23.489 -17.328 0.00 0.00 WT0 H +ATOM 5327 OH2 TIP3 3579 -20.159 -0.615 6.055 0.00 0.00 WT0 O +ATOM 5328 H1 TIP3 3579 -20.259 -0.335 5.145 0.00 0.00 WT0 H +ATOM 5329 H2 TIP3 3579 -19.379 -1.175 6.045 0.00 0.00 WT0 H +ATOM 5330 OH2 TIP3 3580 -21.126 -23.709 21.938 0.00 0.00 WT0 O +ATOM 5331 H1 TIP3 3580 -20.696 -24.569 21.958 0.00 0.00 WT0 H +ATOM 5332 H2 TIP3 3580 -20.556 -23.169 21.388 0.00 0.00 WT0 H +ATOM 5333 OH2 TIP3 3582 -16.443 19.673 20.342 0.00 0.00 WT0 O +ATOM 5334 H1 TIP3 3582 -15.983 19.953 19.552 0.00 0.00 WT0 H +ATOM 5335 H2 TIP3 3582 -15.813 19.123 20.812 0.00 0.00 WT0 H +ATOM 5336 OH2 TIP3 3583 14.798 18.258 -5.730 0.00 0.00 WT0 O +ATOM 5337 H1 TIP3 3583 14.558 17.618 -5.060 0.00 0.00 WT0 H +ATOM 5338 H2 TIP3 3583 15.608 17.908 -6.100 0.00 0.00 WT0 H +ATOM 5339 OH2 TIP3 3585 -10.692 -22.248 6.538 0.00 0.00 WT0 O +ATOM 5340 H1 TIP3 3585 -10.132 -21.948 7.248 0.00 0.00 WT0 H +ATOM 5341 H2 TIP3 3585 -11.292 -21.528 6.378 0.00 0.00 WT0 H +ATOM 5342 OH2 TIP3 3586 13.160 -24.391 10.649 0.00 0.00 WT0 O +ATOM 5343 H1 TIP3 3586 12.950 -23.941 9.829 0.00 0.00 WT0 H +ATOM 5344 H2 TIP3 3586 12.760 -25.251 10.569 0.00 0.00 WT0 H +ATOM 5345 OH2 TIP3 3587 -4.995 22.789 8.442 0.00 0.00 WT0 O +ATOM 5346 H1 TIP3 3587 -4.495 23.389 9.002 0.00 0.00 WT0 H +ATOM 5347 H2 TIP3 3587 -5.305 22.109 9.042 0.00 0.00 WT0 H +ATOM 5348 OH2 TIP3 3592 -15.549 -4.750 -12.028 0.00 0.00 WT0 O +ATOM 5349 H1 TIP3 3592 -15.189 -5.550 -12.388 0.00 0.00 WT0 H +ATOM 5350 H2 TIP3 3592 -15.789 -4.220 -12.788 0.00 0.00 WT0 H +ATOM 5351 OH2 TIP3 3593 17.280 -21.402 -12.945 0.00 0.00 WT0 O +ATOM 5352 H1 TIP3 3593 16.890 -20.592 -12.615 0.00 0.00 WT0 H +ATOM 5353 H2 TIP3 3593 18.200 -21.182 -13.105 0.00 0.00 WT0 H +ATOM 5354 OH2 TIP3 3595 22.854 -19.688 -16.857 0.00 0.00 WT0 O +ATOM 5355 H1 TIP3 3595 23.204 -20.248 -17.547 0.00 0.00 WT0 H +ATOM 5356 H2 TIP3 3595 22.924 -20.208 -16.057 0.00 0.00 WT0 H +ATOM 5357 OH2 TIP3 3596 -15.140 -23.070 -13.214 0.00 0.00 WT0 O +ATOM 5358 H1 TIP3 3596 -14.490 -23.490 -12.644 0.00 0.00 WT0 H +ATOM 5359 H2 TIP3 3596 -15.010 -22.130 -13.084 0.00 0.00 WT0 H +ATOM 5360 OH2 TIP3 3597 6.097 21.685 -18.144 0.00 0.00 WT0 O +ATOM 5361 H1 TIP3 3597 5.957 21.875 -19.064 0.00 0.00 WT0 H +ATOM 5362 H2 TIP3 3597 5.237 21.775 -17.744 0.00 0.00 WT0 H +ATOM 5363 OH2 TIP3 3598 -5.177 12.769 21.305 0.00 0.00 WT0 O +ATOM 5364 H1 TIP3 3598 -4.767 13.089 22.115 0.00 0.00 WT0 H +ATOM 5365 H2 TIP3 3598 -5.157 13.519 20.715 0.00 0.00 WT0 H +ATOM 5366 OH2 TIP3 3599 -6.215 -21.895 16.943 0.00 0.00 WT0 O +ATOM 5367 H1 TIP3 3599 -6.235 -21.455 16.093 0.00 0.00 WT0 H +ATOM 5368 H2 TIP3 3599 -6.995 -21.575 17.393 0.00 0.00 WT0 H +ATOM 5369 OH2 TIP3 3602 4.710 -20.184 -0.897 0.00 0.00 WT0 O +ATOM 5370 H1 TIP3 3602 3.890 -20.364 -1.357 0.00 0.00 WT0 H +ATOM 5371 H2 TIP3 3602 4.470 -19.574 -0.197 0.00 0.00 WT0 H +ATOM 5372 OH2 TIP3 3603 21.313 -13.946 1.835 0.00 0.00 WT0 O +ATOM 5373 H1 TIP3 3603 21.783 -14.766 2.015 0.00 0.00 WT0 H +ATOM 5374 H2 TIP3 3603 21.803 -13.276 2.315 0.00 0.00 WT0 H +ATOM 5375 OH2 TIP3 3604 9.793 15.404 -6.269 0.00 0.00 WT0 O +ATOM 5376 H1 TIP3 3604 9.763 15.204 -7.199 0.00 0.00 WT0 H +ATOM 5377 H2 TIP3 3604 9.053 15.994 -6.129 0.00 0.00 WT0 H +ATOM 5378 OH2 TIP3 3607 -2.107 -10.803 -2.854 0.00 0.00 WT0 O +ATOM 5379 H1 TIP3 3607 -2.077 -9.853 -3.014 0.00 0.00 WT0 H +ATOM 5380 H2 TIP3 3607 -2.457 -10.883 -1.974 0.00 0.00 WT0 H +ATOM 5381 OH2 TIP3 3612 -2.250 14.932 -6.862 0.00 0.00 WT0 O +ATOM 5382 H1 TIP3 3612 -3.140 15.042 -6.522 0.00 0.00 WT0 H +ATOM 5383 H2 TIP3 3612 -1.710 15.452 -6.272 0.00 0.00 WT0 H +ATOM 5384 OH2 TIP3 3616 22.067 22.151 -21.341 0.00 0.00 WT0 O +ATOM 5385 H1 TIP3 3616 22.457 21.311 -21.581 0.00 0.00 WT0 H +ATOM 5386 H2 TIP3 3616 22.157 22.191 -20.391 0.00 0.00 WT0 H +ATOM 5387 OH2 TIP3 3618 4.670 -16.690 1.237 0.00 0.00 WT0 O +ATOM 5388 H1 TIP3 3618 5.540 -16.440 1.527 0.00 0.00 WT0 H +ATOM 5389 H2 TIP3 3618 4.120 -16.600 2.017 0.00 0.00 WT0 H +ATOM 5390 OH2 TIP3 3619 24.748 -20.213 7.441 0.00 0.00 WT0 O +ATOM 5391 H1 TIP3 3619 24.388 -21.093 7.341 0.00 0.00 WT0 H +ATOM 5392 H2 TIP3 3619 25.058 -20.183 8.341 0.00 0.00 WT0 H +ATOM 5393 OH2 TIP3 3620 23.616 -6.489 16.306 0.00 0.00 WT0 O +ATOM 5394 H1 TIP3 3620 23.256 -5.879 15.666 0.00 0.00 WT0 H +ATOM 5395 H2 TIP3 3620 23.556 -6.019 17.146 0.00 0.00 WT0 H +ATOM 5396 OH2 TIP3 3621 -16.150 7.232 20.765 0.00 0.00 WT0 O +ATOM 5397 H1 TIP3 3621 -16.930 7.442 21.285 0.00 0.00 WT0 H +ATOM 5398 H2 TIP3 3621 -15.470 7.052 21.415 0.00 0.00 WT0 H +ATOM 5399 OH2 TIP3 3622 10.255 -22.987 -20.796 0.00 0.00 WT0 O +ATOM 5400 H1 TIP3 3622 11.065 -22.537 -20.556 0.00 0.00 WT0 H +ATOM 5401 H2 TIP3 3622 10.425 -23.907 -20.606 0.00 0.00 WT0 H +ATOM 5402 OH2 TIP3 3623 -24.176 -22.215 24.156 0.00 0.00 WT0 O +ATOM 5403 H1 TIP3 3623 -24.186 -21.425 24.686 0.00 0.00 WT0 H +ATOM 5404 H2 TIP3 3623 -24.976 -22.675 24.396 0.00 0.00 WT0 H +ATOM 5405 OH2 TIP3 3624 13.631 22.137 9.659 0.00 0.00 WT0 O +ATOM 5406 H1 TIP3 3624 14.121 21.397 9.319 0.00 0.00 WT0 H +ATOM 5407 H2 TIP3 3624 14.291 22.717 10.039 0.00 0.00 WT0 H +ATOM 5408 OH2 TIP3 3626 -15.183 -16.898 -7.208 0.00 0.00 WT0 O +ATOM 5409 H1 TIP3 3626 -15.333 -16.838 -8.158 0.00 0.00 WT0 H +ATOM 5410 H2 TIP3 3626 -15.403 -16.028 -6.878 0.00 0.00 WT0 H +ATOM 5411 OH2 TIP3 3627 7.577 13.174 6.100 0.00 0.00 WT0 O +ATOM 5412 H1 TIP3 3627 7.867 13.124 7.010 0.00 0.00 WT0 H +ATOM 5413 H2 TIP3 3627 6.837 13.784 6.110 0.00 0.00 WT0 H +ATOM 5414 OH2 TIP3 3628 10.361 11.252 -13.286 0.00 0.00 WT0 O +ATOM 5415 H1 TIP3 3628 10.721 11.782 -12.576 0.00 0.00 WT0 H +ATOM 5416 H2 TIP3 3628 10.441 10.342 -12.976 0.00 0.00 WT0 H +ATOM 5417 OH2 TIP3 3629 -22.101 -11.227 -10.891 0.00 0.00 WT0 O +ATOM 5418 H1 TIP3 3629 -21.791 -12.027 -10.461 0.00 0.00 WT0 H +ATOM 5419 H2 TIP3 3629 -22.431 -11.517 -11.741 0.00 0.00 WT0 H +ATOM 5420 OH2 TIP3 3633 12.997 7.124 -3.345 0.00 0.00 WT0 O +ATOM 5421 H1 TIP3 3633 13.807 7.604 -3.215 0.00 0.00 WT0 H +ATOM 5422 H2 TIP3 3633 12.387 7.504 -2.715 0.00 0.00 WT0 H +ATOM 5423 OH2 TIP3 3636 25.133 -13.917 -14.834 0.00 0.00 WT0 O +ATOM 5424 H1 TIP3 3636 25.373 -13.887 -15.764 0.00 0.00 WT0 H +ATOM 5425 H2 TIP3 3636 24.193 -14.087 -14.824 0.00 0.00 WT0 H +ATOM 5426 OH2 TIP3 3638 -6.846 -10.141 15.981 0.00 0.00 WT0 O +ATOM 5427 H1 TIP3 3638 -6.026 -10.521 16.321 0.00 0.00 WT0 H +ATOM 5428 H2 TIP3 3638 -6.856 -9.251 16.311 0.00 0.00 WT0 H +ATOM 5429 OH2 TIP3 3641 -16.564 8.436 -24.649 0.00 0.00 WT0 O +ATOM 5430 H1 TIP3 3641 -16.484 8.606 -25.589 0.00 0.00 WT0 H +ATOM 5431 H2 TIP3 3641 -17.484 8.216 -24.529 0.00 0.00 WT0 H +ATOM 5432 OH2 TIP3 3642 -15.253 -12.103 21.107 0.00 0.00 WT0 O +ATOM 5433 H1 TIP3 3642 -14.653 -11.363 21.247 0.00 0.00 WT0 H +ATOM 5434 H2 TIP3 3642 -15.643 -12.263 21.957 0.00 0.00 WT0 H +ATOM 5435 OH2 TIP3 3643 -5.684 -20.809 -10.356 0.00 0.00 WT0 O +ATOM 5436 H1 TIP3 3643 -6.134 -20.669 -11.196 0.00 0.00 WT0 H +ATOM 5437 H2 TIP3 3643 -5.044 -20.099 -10.306 0.00 0.00 WT0 H +ATOM 5438 OH2 TIP3 3644 20.115 -21.019 12.925 0.00 0.00 WT0 O +ATOM 5439 H1 TIP3 3644 19.295 -21.379 12.585 0.00 0.00 WT0 H +ATOM 5440 H2 TIP3 3644 20.035 -20.079 12.805 0.00 0.00 WT0 H +ATOM 5441 OH2 TIP3 3645 18.875 -14.825 -18.110 0.00 0.00 WT0 O +ATOM 5442 H1 TIP3 3645 18.885 -15.045 -19.040 0.00 0.00 WT0 H +ATOM 5443 H2 TIP3 3645 19.795 -14.745 -17.870 0.00 0.00 WT0 H +ATOM 5444 OH2 TIP3 3646 19.267 -7.353 1.208 0.00 0.00 WT0 O +ATOM 5445 H1 TIP3 3646 18.397 -7.203 0.828 0.00 0.00 WT0 H +ATOM 5446 H2 TIP3 3646 19.507 -6.503 1.578 0.00 0.00 WT0 H +ATOM 5447 OH2 TIP3 3647 8.895 17.053 11.275 0.00 0.00 WT0 O +ATOM 5448 H1 TIP3 3647 8.605 17.933 11.535 0.00 0.00 WT0 H +ATOM 5449 H2 TIP3 3647 8.165 16.483 11.495 0.00 0.00 WT0 H +ATOM 5450 OH2 TIP3 3650 8.023 12.085 -0.144 0.00 0.00 WT0 O +ATOM 5451 H1 TIP3 3650 7.513 12.145 0.656 0.00 0.00 WT0 H +ATOM 5452 H2 TIP3 3650 8.813 12.615 0.026 0.00 0.00 WT0 H +ATOM 5453 OH2 TIP3 3651 -21.369 9.485 15.881 0.00 0.00 WT0 O +ATOM 5454 H1 TIP3 3651 -21.999 10.075 16.301 0.00 0.00 WT0 H +ATOM 5455 H2 TIP3 3651 -20.599 9.515 16.441 0.00 0.00 WT0 H +ATOM 5456 OH2 TIP3 3653 -16.370 -17.743 3.985 0.00 0.00 WT0 O +ATOM 5457 H1 TIP3 3653 -16.830 -16.913 3.895 0.00 0.00 WT0 H +ATOM 5458 H2 TIP3 3653 -15.610 -17.543 4.525 0.00 0.00 WT0 H +ATOM 5459 OH2 TIP3 3657 13.279 15.050 13.245 0.00 0.00 WT0 O +ATOM 5460 H1 TIP3 3657 13.299 15.290 12.315 0.00 0.00 WT0 H +ATOM 5461 H2 TIP3 3657 12.449 14.590 13.355 0.00 0.00 WT0 H +ATOM 5462 OH2 TIP3 3658 3.486 18.760 -12.731 0.00 0.00 WT0 O +ATOM 5463 H1 TIP3 3658 4.356 18.380 -12.581 0.00 0.00 WT0 H +ATOM 5464 H2 TIP3 3658 3.396 18.780 -13.681 0.00 0.00 WT0 H +ATOM 5465 OH2 TIP3 3659 -23.705 -14.267 -6.544 0.00 0.00 WT0 O +ATOM 5466 H1 TIP3 3659 -23.985 -14.157 -5.634 0.00 0.00 WT0 H +ATOM 5467 H2 TIP3 3659 -24.035 -15.127 -6.794 0.00 0.00 WT0 H +ATOM 5468 OH2 TIP3 3660 -3.635 -7.693 2.345 0.00 0.00 WT0 O +ATOM 5469 H1 TIP3 3660 -3.485 -8.643 2.345 0.00 0.00 WT0 H +ATOM 5470 H2 TIP3 3660 -3.095 -7.373 1.625 0.00 0.00 WT0 H +ATOM 5471 OH2 TIP3 3661 -20.894 -10.232 1.301 0.00 0.00 WT0 O +ATOM 5472 H1 TIP3 3661 -21.314 -10.642 0.551 0.00 0.00 WT0 H +ATOM 5473 H2 TIP3 3661 -21.574 -10.212 1.971 0.00 0.00 WT0 H +ATOM 5474 OH2 TIP3 3662 -17.412 -13.189 16.609 0.00 0.00 WT0 O +ATOM 5475 H1 TIP3 3662 -17.682 -12.489 17.199 0.00 0.00 WT0 H +ATOM 5476 H2 TIP3 3662 -17.132 -12.729 15.809 0.00 0.00 WT0 H +ATOM 5477 OH2 TIP3 3663 -10.409 14.593 19.709 0.00 0.00 WT0 O +ATOM 5478 H1 TIP3 3663 -11.229 14.513 19.219 0.00 0.00 WT0 H +ATOM 5479 H2 TIP3 3663 -9.909 13.813 19.479 0.00 0.00 WT0 H +ATOM 5480 OH2 TIP3 3665 -11.873 13.614 10.591 0.00 0.00 WT0 O +ATOM 5481 H1 TIP3 3665 -10.993 13.624 10.971 0.00 0.00 WT0 H +ATOM 5482 H2 TIP3 3665 -12.043 12.684 10.431 0.00 0.00 WT0 H +ATOM 5483 OH2 TIP3 3666 6.996 16.752 -0.445 0.00 0.00 WT0 O +ATOM 5484 H1 TIP3 3666 7.566 17.022 -1.175 0.00 0.00 WT0 H +ATOM 5485 H2 TIP3 3666 7.496 16.972 0.335 0.00 0.00 WT0 H +ATOM 5486 OH2 TIP3 3667 3.726 -23.498 -24.283 0.00 0.00 WT0 O +ATOM 5487 H1 TIP3 3667 4.606 -23.488 -24.643 0.00 0.00 WT0 H +ATOM 5488 H2 TIP3 3667 3.166 -23.748 -25.013 0.00 0.00 WT0 H +ATOM 5489 OH2 TIP3 3668 -24.379 -12.196 -20.193 0.00 0.00 WT0 O +ATOM 5490 H1 TIP3 3668 -23.849 -12.896 -20.563 0.00 0.00 WT0 H +ATOM 5491 H2 TIP3 3668 -23.879 -11.396 -20.373 0.00 0.00 WT0 H +ATOM 5492 OH2 TIP3 3671 0.816 24.896 -24.988 0.00 0.00 WT0 O +ATOM 5493 H1 TIP3 3671 0.286 24.966 -24.188 0.00 0.00 WT0 H +ATOM 5494 H2 TIP3 3671 0.236 24.486 -25.628 0.00 0.00 WT0 H +ATOM 5495 OH2 TIP3 3674 -12.372 -7.170 -20.543 0.00 0.00 WT0 O +ATOM 5496 H1 TIP3 3674 -12.462 -7.840 -21.223 0.00 0.00 WT0 H +ATOM 5497 H2 TIP3 3674 -12.432 -6.340 -21.023 0.00 0.00 WT0 H +ATOM 5498 OH2 TIP3 3677 -1.865 -7.935 -3.665 0.00 0.00 WT0 O +ATOM 5499 H1 TIP3 3677 -1.595 -7.895 -4.585 0.00 0.00 WT0 H +ATOM 5500 H2 TIP3 3677 -2.705 -7.485 -3.645 0.00 0.00 WT0 H +ATOM 5501 OH2 TIP3 3678 22.240 4.040 14.862 0.00 0.00 WT0 O +ATOM 5502 H1 TIP3 3678 22.060 4.890 15.262 0.00 0.00 WT0 H +ATOM 5503 H2 TIP3 3678 21.560 3.460 15.202 0.00 0.00 WT0 H +ATOM 5504 OH2 TIP3 3680 -9.544 -22.680 22.026 0.00 0.00 WT0 O +ATOM 5505 H1 TIP3 3680 -8.614 -22.900 22.016 0.00 0.00 WT0 H +ATOM 5506 H2 TIP3 3680 -9.744 -22.530 22.946 0.00 0.00 WT0 H +ATOM 5507 OH2 TIP3 3681 -20.047 5.881 5.770 0.00 0.00 WT0 O +ATOM 5508 H1 TIP3 3681 -19.887 5.161 6.370 0.00 0.00 WT0 H +ATOM 5509 H2 TIP3 3681 -19.877 6.671 6.290 0.00 0.00 WT0 H +ATOM 5510 OH2 TIP3 3683 16.886 19.325 -12.573 0.00 0.00 WT0 O +ATOM 5511 H1 TIP3 3683 16.046 19.765 -12.423 0.00 0.00 WT0 H +ATOM 5512 H2 TIP3 3683 16.706 18.405 -12.363 0.00 0.00 WT0 H +ATOM 5513 OH2 TIP3 3686 23.665 -8.646 8.456 0.00 0.00 WT0 O +ATOM 5514 H1 TIP3 3686 24.515 -8.386 8.106 0.00 0.00 WT0 H +ATOM 5515 H2 TIP3 3686 23.445 -9.456 7.986 0.00 0.00 WT0 H +ATOM 5516 OH2 TIP3 3687 -18.914 23.011 -17.300 0.00 0.00 WT0 O +ATOM 5517 H1 TIP3 3687 -18.154 23.431 -16.880 0.00 0.00 WT0 H +ATOM 5518 H2 TIP3 3687 -19.304 23.701 -17.840 0.00 0.00 WT0 H +ATOM 5519 OH2 TIP3 3689 -9.589 19.765 -21.452 0.00 0.00 WT0 O +ATOM 5520 H1 TIP3 3689 -9.959 20.635 -21.592 0.00 0.00 WT0 H +ATOM 5521 H2 TIP3 3689 -8.699 19.825 -21.812 0.00 0.00 WT0 H +ATOM 5522 OH2 TIP3 3690 17.427 -10.937 25.125 0.00 0.00 WT0 O +ATOM 5523 H1 TIP3 3690 17.747 -10.077 24.845 0.00 0.00 WT0 H +ATOM 5524 H2 TIP3 3690 16.977 -11.287 24.355 0.00 0.00 WT0 H +ATOM 5525 OH2 TIP3 3693 -12.496 11.100 -23.279 0.00 0.00 WT0 O +ATOM 5526 H1 TIP3 3693 -11.846 11.080 -23.979 0.00 0.00 WT0 H +ATOM 5527 H2 TIP3 3693 -12.046 10.730 -22.519 0.00 0.00 WT0 H +ATOM 5528 OH2 TIP3 3695 1.297 -10.143 22.703 0.00 0.00 WT0 O +ATOM 5529 H1 TIP3 3695 1.327 -10.243 23.653 0.00 0.00 WT0 H +ATOM 5530 H2 TIP3 3695 0.427 -10.443 22.453 0.00 0.00 WT0 H +ATOM 5531 OH2 TIP3 3696 21.508 19.425 -2.353 0.00 0.00 WT0 O +ATOM 5532 H1 TIP3 3696 20.848 20.095 -2.173 0.00 0.00 WT0 H +ATOM 5533 H2 TIP3 3696 21.358 18.755 -1.683 0.00 0.00 WT0 H +ATOM 5534 OH2 TIP3 3697 -16.335 -1.032 5.154 0.00 0.00 WT0 O +ATOM 5535 H1 TIP3 3697 -16.845 -1.292 4.384 0.00 0.00 WT0 H +ATOM 5536 H2 TIP3 3697 -15.425 -1.252 4.924 0.00 0.00 WT0 H +ATOM 5537 OH2 TIP3 3698 23.011 24.990 12.447 0.00 0.00 WT0 O +ATOM 5538 H1 TIP3 3698 23.671 24.660 13.057 0.00 0.00 WT0 H +ATOM 5539 H2 TIP3 3698 23.451 24.970 11.587 0.00 0.00 WT0 H +ATOM 5540 OH2 TIP3 3700 25.598 12.437 18.267 0.00 0.00 WT0 O +ATOM 5541 H1 TIP3 3700 24.768 11.987 18.097 0.00 0.00 WT0 H +ATOM 5542 H2 TIP3 3700 25.388 13.067 18.957 0.00 0.00 WT0 H +ATOM 5543 OH2 TIP3 3701 1.701 -10.535 -18.135 0.00 0.00 WT0 O +ATOM 5544 H1 TIP3 3701 1.521 -9.605 -18.025 0.00 0.00 WT0 H +ATOM 5545 H2 TIP3 3701 2.651 -10.615 -18.075 0.00 0.00 WT0 H +ATOM 5546 OH2 TIP3 3702 20.373 -19.742 -23.368 0.00 0.00 WT0 O +ATOM 5547 H1 TIP3 3702 19.893 -19.122 -22.818 0.00 0.00 WT0 H +ATOM 5548 H2 TIP3 3702 19.943 -20.582 -23.218 0.00 0.00 WT0 H +ATOM 5549 OH2 TIP3 3704 -5.666 4.756 -17.600 0.00 0.00 WT0 O +ATOM 5550 H1 TIP3 3704 -4.796 4.376 -17.480 0.00 0.00 WT0 H +ATOM 5551 H2 TIP3 3704 -5.886 4.566 -18.510 0.00 0.00 WT0 H +ATOM 5552 OH2 TIP3 3705 -14.084 17.854 11.979 0.00 0.00 WT0 O +ATOM 5553 H1 TIP3 3705 -14.144 18.234 12.859 0.00 0.00 WT0 H +ATOM 5554 H2 TIP3 3705 -14.404 18.544 11.399 0.00 0.00 WT0 H +ATOM 5555 OH2 TIP3 3706 14.307 -16.464 19.786 0.00 0.00 WT0 O +ATOM 5556 H1 TIP3 3706 14.737 -15.804 20.326 0.00 0.00 WT0 H +ATOM 5557 H2 TIP3 3706 14.707 -16.374 18.926 0.00 0.00 WT0 H +ATOM 5558 OH2 TIP3 3709 10.541 -10.699 15.139 0.00 0.00 WT0 O +ATOM 5559 H1 TIP3 3709 10.581 -11.199 15.959 0.00 0.00 WT0 H +ATOM 5560 H2 TIP3 3709 10.391 -11.349 14.459 0.00 0.00 WT0 H +ATOM 5561 OH2 TIP3 3710 9.439 10.170 2.829 0.00 0.00 WT0 O +ATOM 5562 H1 TIP3 3710 8.929 10.960 2.999 0.00 0.00 WT0 H +ATOM 5563 H2 TIP3 3710 10.309 10.360 3.189 0.00 0.00 WT0 H +ATOM 5564 OH2 TIP3 3713 -9.362 -20.803 -19.608 0.00 0.00 WT0 O +ATOM 5565 H1 TIP3 3713 -9.962 -21.493 -19.298 0.00 0.00 WT0 H +ATOM 5566 H2 TIP3 3713 -9.932 -20.063 -19.788 0.00 0.00 WT0 H +ATOM 5567 OH2 TIP3 3714 22.178 12.968 12.292 0.00 0.00 WT0 O +ATOM 5568 H1 TIP3 3714 22.278 12.538 13.142 0.00 0.00 WT0 H +ATOM 5569 H2 TIP3 3714 22.668 12.418 11.682 0.00 0.00 WT0 H +ATOM 5570 OH2 TIP3 3716 11.410 -12.804 -1.940 0.00 0.00 WT0 O +ATOM 5571 H1 TIP3 3716 11.450 -11.854 -1.800 0.00 0.00 WT0 H +ATOM 5572 H2 TIP3 3716 11.320 -12.914 -2.880 0.00 0.00 WT0 H +ATOM 5573 OH2 TIP3 3718 -10.544 -4.284 -15.464 0.00 0.00 WT0 O +ATOM 5574 H1 TIP3 3718 -9.684 -4.234 -15.044 0.00 0.00 WT0 H +ATOM 5575 H2 TIP3 3718 -10.454 -3.744 -16.254 0.00 0.00 WT0 H +ATOM 5576 OH2 TIP3 3719 -17.241 10.948 -2.676 0.00 0.00 WT0 O +ATOM 5577 H1 TIP3 3719 -18.051 10.978 -2.166 0.00 0.00 WT0 H +ATOM 5578 H2 TIP3 3719 -16.591 10.588 -2.066 0.00 0.00 WT0 H +ATOM 5579 OH2 TIP3 3720 9.213 15.855 1.395 0.00 0.00 WT0 O +ATOM 5580 H1 TIP3 3720 8.763 16.345 2.095 0.00 0.00 WT0 H +ATOM 5581 H2 TIP3 3720 10.053 15.615 1.785 0.00 0.00 WT0 H +ATOM 5582 OH2 TIP3 3721 3.518 -2.380 -15.731 0.00 0.00 WT0 O +ATOM 5583 H1 TIP3 3721 4.238 -1.750 -15.691 0.00 0.00 WT0 H +ATOM 5584 H2 TIP3 3721 2.928 -2.040 -16.401 0.00 0.00 WT0 H +ATOM 5585 OH2 TIP3 3722 -3.131 5.506 15.989 0.00 0.00 WT0 O +ATOM 5586 H1 TIP3 3722 -3.591 6.336 16.159 0.00 0.00 WT0 H +ATOM 5587 H2 TIP3 3722 -3.011 5.486 15.039 0.00 0.00 WT0 H +ATOM 5588 OH2 TIP3 3723 -3.450 -18.557 -7.115 0.00 0.00 WT0 O +ATOM 5589 H1 TIP3 3723 -2.930 -18.477 -6.315 0.00 0.00 WT0 H +ATOM 5590 H2 TIP3 3723 -4.090 -19.237 -6.925 0.00 0.00 WT0 H +ATOM 5591 OH2 TIP3 3726 19.561 4.492 -5.428 0.00 0.00 WT0 O +ATOM 5592 H1 TIP3 3726 20.251 5.152 -5.328 0.00 0.00 WT0 H +ATOM 5593 H2 TIP3 3726 18.751 5.002 -5.528 0.00 0.00 WT0 H +ATOM 5594 OH2 TIP3 3729 -19.462 -18.250 2.955 0.00 0.00 WT0 O +ATOM 5595 H1 TIP3 3729 -19.282 -18.180 3.895 0.00 0.00 WT0 H +ATOM 5596 H2 TIP3 3729 -20.082 -17.540 2.775 0.00 0.00 WT0 H +ATOM 5597 OH2 TIP3 3730 -25.127 -17.833 5.429 0.00 0.00 WT0 O +ATOM 5598 H1 TIP3 3730 -25.187 -18.463 6.139 0.00 0.00 WT0 H +ATOM 5599 H2 TIP3 3730 -24.417 -17.243 5.679 0.00 0.00 WT0 H +ATOM 5600 OH2 TIP3 3732 16.721 15.724 17.012 0.00 0.00 WT0 O +ATOM 5601 H1 TIP3 3732 16.881 15.524 16.092 0.00 0.00 WT0 H +ATOM 5602 H2 TIP3 3732 16.001 16.364 17.002 0.00 0.00 WT0 H +ATOM 5603 OH2 TIP3 3733 19.335 -3.580 -3.756 0.00 0.00 WT0 O +ATOM 5604 H1 TIP3 3733 19.875 -4.120 -3.166 0.00 0.00 WT0 H +ATOM 5605 H2 TIP3 3733 19.945 -2.950 -4.126 0.00 0.00 WT0 H +ATOM 5606 OH2 TIP3 3734 -4.810 -11.238 2.814 0.00 0.00 WT0 O +ATOM 5607 H1 TIP3 3734 -3.940 -10.928 2.564 0.00 0.00 WT0 H +ATOM 5608 H2 TIP3 3734 -4.910 -10.978 3.724 0.00 0.00 WT0 H +ATOM 5609 OH2 TIP3 3736 3.033 -23.437 14.268 0.00 0.00 WT0 O +ATOM 5610 H1 TIP3 3736 2.403 -23.557 13.558 0.00 0.00 WT0 H +ATOM 5611 H2 TIP3 3736 3.883 -23.647 13.868 0.00 0.00 WT0 H +ATOM 5612 OH2 TIP3 3737 3.753 -11.773 -11.622 0.00 0.00 WT0 O +ATOM 5613 H1 TIP3 3737 4.273 -12.563 -11.782 0.00 0.00 WT0 H +ATOM 5614 H2 TIP3 3737 3.733 -11.323 -12.472 0.00 0.00 WT0 H +ATOM 5615 OH2 TIP3 3740 -15.161 5.759 -24.466 0.00 0.00 WT0 O +ATOM 5616 H1 TIP3 3740 -14.481 6.419 -24.616 0.00 0.00 WT0 H +ATOM 5617 H2 TIP3 3740 -15.981 6.249 -24.466 0.00 0.00 WT0 H +ATOM 5618 OH2 TIP3 3744 -14.780 -16.218 18.799 0.00 0.00 WT0 O +ATOM 5619 H1 TIP3 3744 -14.450 -16.928 19.359 0.00 0.00 WT0 H +ATOM 5620 H2 TIP3 3744 -15.670 -16.048 19.119 0.00 0.00 WT0 H +ATOM 5621 OH2 TIP3 3746 0.685 5.705 22.345 0.00 0.00 WT0 O +ATOM 5622 H1 TIP3 3746 -0.035 6.305 22.555 0.00 0.00 WT0 H +ATOM 5623 H2 TIP3 3746 0.265 4.845 22.295 0.00 0.00 WT0 H +ATOM 5624 OH2 TIP3 3750 5.169 21.139 -11.861 0.00 0.00 WT0 O +ATOM 5625 H1 TIP3 3750 4.929 20.229 -12.051 0.00 0.00 WT0 H +ATOM 5626 H2 TIP3 3750 4.549 21.409 -11.181 0.00 0.00 WT0 H +ATOM 5627 OH2 TIP3 3751 -12.338 -9.358 -15.976 0.00 0.00 WT0 O +ATOM 5628 H1 TIP3 3751 -12.659 -8.598 -15.496 0.00 0.00 WT0 H +ATOM 5629 H2 TIP3 3751 -12.539 -9.168 -16.896 0.00 0.00 WT0 H +ATOM 5630 OH2 TIP3 3752 13.691 24.992 -10.588 0.00 0.00 WT0 O +ATOM 5631 H1 TIP3 3752 14.521 25.392 -10.348 0.00 0.00 WT0 H +ATOM 5632 H2 TIP3 3752 13.891 24.072 -10.738 0.00 0.00 WT0 H +ATOM 5633 OH2 TIP3 3754 17.485 0.083 3.130 0.00 0.00 WT0 O +ATOM 5634 H1 TIP3 3754 18.205 0.243 3.740 0.00 0.00 WT0 H +ATOM 5635 H2 TIP3 3754 17.885 -0.427 2.430 0.00 0.00 WT0 H +ATOM 5636 OH2 TIP3 3757 13.993 -7.160 7.539 0.00 0.00 WT0 O +ATOM 5637 H1 TIP3 3757 14.043 -6.370 8.079 0.00 0.00 WT0 H +ATOM 5638 H2 TIP3 3757 13.083 -7.450 7.609 0.00 0.00 WT0 H +ATOM 5639 OH2 TIP3 3758 -20.936 14.617 24.686 0.00 0.00 WT0 O +ATOM 5640 H1 TIP3 3758 -21.246 13.947 24.076 0.00 0.00 WT0 H +ATOM 5641 H2 TIP3 3758 -21.446 14.487 25.476 0.00 0.00 WT0 H +ATOM 5642 OH2 TIP3 3762 -19.457 -18.028 -7.364 0.00 0.00 WT0 O +ATOM 5643 H1 TIP3 3762 -19.987 -18.598 -6.804 0.00 0.00 WT0 H +ATOM 5644 H2 TIP3 3762 -18.587 -18.438 -7.354 0.00 0.00 WT0 H +ATOM 5645 OH2 TIP3 3763 0.829 -21.658 7.425 0.00 0.00 WT0 O +ATOM 5646 H1 TIP3 3763 0.089 -21.448 7.975 0.00 0.00 WT0 H +ATOM 5647 H2 TIP3 3763 0.899 -20.918 6.815 0.00 0.00 WT0 H +ATOM 5648 OH2 TIP3 3764 -22.635 -22.970 -23.947 0.00 0.00 WT0 O +ATOM 5649 H1 TIP3 3764 -23.325 -22.630 -23.377 0.00 0.00 WT0 H +ATOM 5650 H2 TIP3 3764 -22.815 -23.900 -24.017 0.00 0.00 WT0 H +ATOM 5651 OH2 TIP3 3767 18.224 -17.153 3.436 0.00 0.00 WT0 O +ATOM 5652 H1 TIP3 3767 18.514 -17.073 2.526 0.00 0.00 WT0 H +ATOM 5653 H2 TIP3 3767 17.284 -17.303 3.366 0.00 0.00 WT0 H +ATOM 5654 OH2 TIP3 3769 1.724 7.795 -2.275 0.00 0.00 WT0 O +ATOM 5655 H1 TIP3 3769 2.044 6.895 -2.265 0.00 0.00 WT0 H +ATOM 5656 H2 TIP3 3769 0.994 7.785 -1.655 0.00 0.00 WT0 H +ATOM 5657 OH2 TIP3 3771 1.775 12.988 -0.305 0.00 0.00 WT0 O +ATOM 5658 H1 TIP3 3771 2.445 13.668 -0.325 0.00 0.00 WT0 H +ATOM 5659 H2 TIP3 3771 1.185 13.248 0.395 0.00 0.00 WT0 H +ATOM 5660 OH2 TIP3 3772 -14.413 -2.890 4.497 0.00 0.00 WT0 O +ATOM 5661 H1 TIP3 3772 -13.653 -2.870 3.907 0.00 0.00 WT0 H +ATOM 5662 H2 TIP3 3772 -15.103 -3.310 3.997 0.00 0.00 WT0 H +ATOM 5663 OH2 TIP3 3773 -19.167 -7.006 17.045 0.00 0.00 WT0 O +ATOM 5664 H1 TIP3 3773 -19.477 -6.456 16.325 0.00 0.00 WT0 H +ATOM 5665 H2 TIP3 3773 -19.687 -6.726 17.795 0.00 0.00 WT0 H +ATOM 5666 OH2 TIP3 3776 20.563 -2.122 22.271 0.00 0.00 WT0 O +ATOM 5667 H1 TIP3 3776 19.783 -2.672 22.281 0.00 0.00 WT0 H +ATOM 5668 H2 TIP3 3776 20.253 -1.262 22.571 0.00 0.00 WT0 H +ATOM 5669 OH2 TIP3 3778 2.833 -23.162 -7.338 0.00 0.00 WT0 O +ATOM 5670 H1 TIP3 3778 3.563 -22.882 -6.798 0.00 0.00 WT0 H +ATOM 5671 H2 TIP3 3778 3.053 -22.852 -8.218 0.00 0.00 WT0 H +ATOM 5672 OH2 TIP3 3779 18.529 11.151 -23.900 0.00 0.00 WT0 O +ATOM 5673 H1 TIP3 3779 19.059 11.841 -23.510 0.00 0.00 WT0 H +ATOM 5674 H2 TIP3 3779 18.669 10.391 -23.340 0.00 0.00 WT0 H +ATOM 5675 OH2 TIP3 3783 13.958 -13.894 -14.161 0.00 0.00 WT0 O +ATOM 5676 H1 TIP3 3783 13.888 -14.654 -13.591 0.00 0.00 WT0 H +ATOM 5677 H2 TIP3 3783 14.178 -14.264 -15.021 0.00 0.00 WT0 H +ATOM 5678 OH2 TIP3 3785 3.565 22.344 16.061 0.00 0.00 WT0 O +ATOM 5679 H1 TIP3 3785 3.055 23.024 15.601 0.00 0.00 WT0 H +ATOM 5680 H2 TIP3 3785 3.055 22.164 16.841 0.00 0.00 WT0 H +ATOM 5681 OH2 TIP3 3786 10.760 24.683 -22.500 0.00 0.00 WT0 O +ATOM 5682 H1 TIP3 3786 10.140 24.223 -23.080 0.00 0.00 WT0 H +ATOM 5683 H2 TIP3 3786 11.010 25.463 -22.990 0.00 0.00 WT0 H +ATOM 5684 OH2 TIP3 3788 22.170 -23.991 -24.178 0.00 0.00 WT0 O +ATOM 5685 H1 TIP3 3788 22.770 -24.571 -24.658 0.00 0.00 WT0 H +ATOM 5686 H2 TIP3 3788 22.080 -24.391 -23.318 0.00 0.00 WT0 H +ATOM 5687 OH2 TIP3 3789 6.609 10.002 -19.482 0.00 0.00 WT0 O +ATOM 5688 H1 TIP3 3789 7.159 10.732 -19.742 0.00 0.00 WT0 H +ATOM 5689 H2 TIP3 3789 6.319 10.222 -18.602 0.00 0.00 WT0 H +ATOM 5690 OH2 TIP3 3791 12.715 21.649 2.883 0.00 0.00 WT0 O +ATOM 5691 H1 TIP3 3791 11.935 22.179 2.763 0.00 0.00 WT0 H +ATOM 5692 H2 TIP3 3791 12.765 21.109 2.093 0.00 0.00 WT0 H +ATOM 5693 OH2 TIP3 3793 -7.592 9.535 8.331 0.00 0.00 WT0 O +ATOM 5694 H1 TIP3 3793 -8.472 9.655 8.691 0.00 0.00 WT0 H +ATOM 5695 H2 TIP3 3793 -7.692 8.865 7.661 0.00 0.00 WT0 H +ATOM 5696 OH2 TIP3 3796 17.777 -9.950 10.510 0.00 0.00 WT0 O +ATOM 5697 H1 TIP3 3796 17.197 -10.590 10.100 0.00 0.00 WT0 H +ATOM 5698 H2 TIP3 3796 18.427 -9.760 9.830 0.00 0.00 WT0 H +ATOM 5699 OH2 TIP3 3798 -15.883 17.031 -17.255 0.00 0.00 WT0 O +ATOM 5700 H1 TIP3 3798 -16.053 16.371 -17.925 0.00 0.00 WT0 H +ATOM 5701 H2 TIP3 3798 -15.583 16.531 -16.495 0.00 0.00 WT0 H +ATOM 5702 OH2 TIP3 3800 -24.031 -1.400 14.203 0.00 0.00 WT0 O +ATOM 5703 H1 TIP3 3800 -24.151 -1.510 13.263 0.00 0.00 WT0 H +ATOM 5704 H2 TIP3 3800 -23.201 -1.840 14.393 0.00 0.00 WT0 H +ATOM 5705 OH2 TIP3 3801 -18.032 -3.561 -19.399 0.00 0.00 WT0 O +ATOM 5706 H1 TIP3 3801 -17.762 -3.861 -18.529 0.00 0.00 WT0 H +ATOM 5707 H2 TIP3 3801 -18.712 -4.171 -19.659 0.00 0.00 WT0 H +ATOM 5708 OH2 TIP3 3802 3.668 15.040 22.285 0.00 0.00 WT0 O +ATOM 5709 H1 TIP3 3802 2.918 14.670 21.815 0.00 0.00 WT0 H +ATOM 5710 H2 TIP3 3802 4.358 14.390 22.175 0.00 0.00 WT0 H +ATOM 5711 OH2 TIP3 3804 19.525 -19.450 -13.593 0.00 0.00 WT0 O +ATOM 5712 H1 TIP3 3804 19.785 -19.720 -14.473 0.00 0.00 WT0 H +ATOM 5713 H2 TIP3 3804 20.335 -19.120 -13.203 0.00 0.00 WT0 H +ATOM 5714 OH2 TIP3 3805 -14.675 -7.201 9.914 0.00 0.00 WT0 O +ATOM 5715 H1 TIP3 3805 -14.275 -7.151 10.784 0.00 0.00 WT0 H +ATOM 5716 H2 TIP3 3805 -14.975 -8.111 9.834 0.00 0.00 WT0 H +ATOM 5717 OH2 TIP3 3806 5.744 10.164 -0.935 0.00 0.00 WT0 O +ATOM 5718 H1 TIP3 3806 5.604 10.294 -0.005 0.00 0.00 WT0 H +ATOM 5719 H2 TIP3 3806 6.694 10.194 -1.045 0.00 0.00 WT0 H +ATOM 5720 OH2 TIP3 3807 15.330 -18.821 22.939 0.00 0.00 WT0 O +ATOM 5721 H1 TIP3 3807 14.510 -19.291 22.819 0.00 0.00 WT0 H +ATOM 5722 H2 TIP3 3807 15.640 -18.621 22.059 0.00 0.00 WT0 H +ATOM 5723 OH2 TIP3 3808 7.160 16.229 15.059 0.00 0.00 WT0 O +ATOM 5724 H1 TIP3 3808 6.400 15.659 14.939 0.00 0.00 WT0 H +ATOM 5725 H2 TIP3 3808 6.820 17.119 14.919 0.00 0.00 WT0 H +ATOM 5726 OH2 TIP3 3809 11.309 11.263 17.037 0.00 0.00 WT0 O +ATOM 5727 H1 TIP3 3809 10.729 10.983 17.747 0.00 0.00 WT0 H +ATOM 5728 H2 TIP3 3809 12.189 11.243 17.417 0.00 0.00 WT0 H +ATOM 5729 OH2 TIP3 3810 21.633 -20.461 5.345 0.00 0.00 WT0 O +ATOM 5730 H1 TIP3 3810 22.113 -21.211 5.705 0.00 0.00 WT0 H +ATOM 5731 H2 TIP3 3810 22.193 -19.701 5.555 0.00 0.00 WT0 H +ATOM 5732 OH2 TIP3 3811 17.759 2.071 -20.213 0.00 0.00 WT0 O +ATOM 5733 H1 TIP3 3811 17.409 1.481 -20.883 0.00 0.00 WT0 H +ATOM 5734 H2 TIP3 3811 18.279 2.711 -20.703 0.00 0.00 WT0 H +ATOM 5735 OH2 TIP3 3812 -21.736 8.041 -6.343 0.00 0.00 WT0 O +ATOM 5736 H1 TIP3 3812 -22.176 8.751 -6.813 0.00 0.00 WT0 H +ATOM 5737 H2 TIP3 3812 -20.846 8.031 -6.703 0.00 0.00 WT0 H +ATOM 5738 OH2 TIP3 3813 8.080 12.594 3.230 0.00 0.00 WT0 O +ATOM 5739 H1 TIP3 3813 7.970 13.354 3.800 0.00 0.00 WT0 H +ATOM 5740 H2 TIP3 3813 7.280 12.084 3.350 0.00 0.00 WT0 H +ATOM 5741 OH2 TIP3 3814 14.857 -2.515 4.886 0.00 0.00 WT0 O +ATOM 5742 H1 TIP3 3814 13.937 -2.615 4.616 0.00 0.00 WT0 H +ATOM 5743 H2 TIP3 3814 14.807 -2.315 5.816 0.00 0.00 WT0 H +ATOM 5744 OH2 TIP3 3815 12.235 18.306 2.801 0.00 0.00 WT0 O +ATOM 5745 H1 TIP3 3815 12.535 18.666 3.641 0.00 0.00 WT0 H +ATOM 5746 H2 TIP3 3815 12.025 17.396 2.991 0.00 0.00 WT0 H +ATOM 5747 OH2 TIP3 3817 1.546 17.395 16.485 0.00 0.00 WT0 O +ATOM 5748 H1 TIP3 3817 0.636 17.225 16.265 0.00 0.00 WT0 H +ATOM 5749 H2 TIP3 3817 2.036 16.965 15.785 0.00 0.00 WT0 H +ATOM 5750 OH2 TIP3 3821 11.336 7.407 -11.928 0.00 0.00 WT0 O +ATOM 5751 H1 TIP3 3821 12.206 7.617 -12.258 0.00 0.00 WT0 H +ATOM 5752 H2 TIP3 3821 11.286 6.447 -11.968 0.00 0.00 WT0 H +ATOM 5753 OH2 TIP3 3826 -6.474 5.984 15.901 0.00 0.00 WT0 O +ATOM 5754 H1 TIP3 3826 -7.424 5.854 15.901 0.00 0.00 WT0 H +ATOM 5755 H2 TIP3 3826 -6.314 6.674 15.261 0.00 0.00 WT0 H +ATOM 5756 OH2 TIP3 3827 12.290 19.910 19.336 0.00 0.00 WT0 O +ATOM 5757 H1 TIP3 3827 11.710 20.260 20.016 0.00 0.00 WT0 H +ATOM 5758 H2 TIP3 3827 12.990 19.480 19.826 0.00 0.00 WT0 H +ATOM 5759 OH2 TIP3 3828 -21.387 -19.609 -24.338 0.00 0.00 WT0 O +ATOM 5760 H1 TIP3 3828 -21.587 -18.969 -25.018 0.00 0.00 WT0 H +ATOM 5761 H2 TIP3 3828 -21.947 -19.369 -23.598 0.00 0.00 WT0 H +ATOM 5762 OH2 TIP3 3829 19.784 -23.231 10.729 0.00 0.00 WT0 O +ATOM 5763 H1 TIP3 3829 19.544 -22.401 10.339 0.00 0.00 WT0 H +ATOM 5764 H2 TIP3 3829 20.644 -23.071 11.129 0.00 0.00 WT0 H +ATOM 5765 OH2 TIP3 3830 9.250 -6.994 -7.119 0.00 0.00 WT0 O +ATOM 5766 H1 TIP3 3830 9.370 -6.834 -6.179 0.00 0.00 WT0 H +ATOM 5767 H2 TIP3 3830 8.790 -7.834 -7.149 0.00 0.00 WT0 H +ATOM 5768 OH2 TIP3 3831 -19.499 -7.117 -6.091 0.00 0.00 WT0 O +ATOM 5769 H1 TIP3 3831 -19.319 -7.147 -5.151 0.00 0.00 WT0 H +ATOM 5770 H2 TIP3 3831 -20.449 -7.077 -6.151 0.00 0.00 WT0 H +ATOM 5771 OH2 TIP3 3832 13.205 -5.259 19.671 0.00 0.00 WT0 O +ATOM 5772 H1 TIP3 3832 13.625 -5.349 18.811 0.00 0.00 WT0 H +ATOM 5773 H2 TIP3 3832 12.395 -4.769 19.501 0.00 0.00 WT0 H +ATOM 5774 OH2 TIP3 3833 0.667 -12.845 3.929 0.00 0.00 WT0 O +ATOM 5775 H1 TIP3 3833 -0.153 -12.855 3.449 0.00 0.00 WT0 H +ATOM 5776 H2 TIP3 3833 0.597 -12.105 4.529 0.00 0.00 WT0 H +ATOM 5777 OH2 TIP3 3835 23.241 23.303 -23.594 0.00 0.00 WT0 O +ATOM 5778 H1 TIP3 3835 22.561 23.913 -23.904 0.00 0.00 WT0 H +ATOM 5779 H2 TIP3 3835 22.791 22.753 -22.954 0.00 0.00 WT0 H +ATOM 5780 OH2 TIP3 3838 23.664 22.542 -8.889 0.00 0.00 WT0 O +ATOM 5781 H1 TIP3 3838 23.514 23.382 -9.319 0.00 0.00 WT0 H +ATOM 5782 H2 TIP3 3838 23.074 21.932 -9.339 0.00 0.00 WT0 H +ATOM 5783 OH2 TIP3 3841 -4.353 0.811 -2.668 0.00 0.00 WT0 O +ATOM 5784 H1 TIP3 3841 -3.893 0.841 -1.828 0.00 0.00 WT0 H +ATOM 5785 H2 TIP3 3841 -3.913 1.471 -3.208 0.00 0.00 WT0 H +ATOM 5786 OH2 TIP3 3845 -15.350 14.242 17.439 0.00 0.00 WT0 O +ATOM 5787 H1 TIP3 3845 -14.560 14.022 16.939 0.00 0.00 WT0 H +ATOM 5788 H2 TIP3 3845 -16.030 13.692 17.059 0.00 0.00 WT0 H +ATOM 5789 OH2 TIP3 3847 8.680 5.086 -24.351 0.00 0.00 WT0 O +ATOM 5790 H1 TIP3 3847 9.120 4.246 -24.231 0.00 0.00 WT0 H +ATOM 5791 H2 TIP3 3847 9.230 5.556 -24.981 0.00 0.00 WT0 H +ATOM 5792 OH2 TIP3 3850 16.969 -13.551 24.262 0.00 0.00 WT0 O +ATOM 5793 H1 TIP3 3850 17.159 -12.841 24.872 0.00 0.00 WT0 H +ATOM 5794 H2 TIP3 3850 16.899 -14.321 24.812 0.00 0.00 WT0 H +ATOM 5795 OH2 TIP3 3851 7.373 -21.682 -16.381 0.00 0.00 WT0 O +ATOM 5796 H1 TIP3 3851 6.983 -20.862 -16.681 0.00 0.00 WT0 H +ATOM 5797 H2 TIP3 3851 6.653 -22.312 -16.441 0.00 0.00 WT0 H +ATOM 5798 OH2 TIP3 3852 21.649 11.705 5.110 0.00 0.00 WT0 O +ATOM 5799 H1 TIP3 3852 20.819 11.295 5.340 0.00 0.00 WT0 H +ATOM 5800 H2 TIP3 3852 22.089 11.855 5.950 0.00 0.00 WT0 H +ATOM 5801 OH2 TIP3 3853 23.868 13.091 20.259 0.00 0.00 WT0 O +ATOM 5802 H1 TIP3 3853 23.608 12.251 20.619 0.00 0.00 WT0 H +ATOM 5803 H2 TIP3 3853 23.238 13.721 20.619 0.00 0.00 WT0 H +ATOM 5804 OH2 TIP3 3854 -2.211 2.710 12.735 0.00 0.00 WT0 O +ATOM 5805 H1 TIP3 3854 -2.871 2.070 12.475 0.00 0.00 WT0 H +ATOM 5806 H2 TIP3 3854 -2.351 2.830 13.675 0.00 0.00 WT0 H +ATOM 5807 OH2 TIP3 3855 0.860 -0.445 -15.285 0.00 0.00 WT0 O +ATOM 5808 H1 TIP3 3855 1.510 0.255 -15.365 0.00 0.00 WT0 H +ATOM 5809 H2 TIP3 3855 0.790 -0.815 -16.175 0.00 0.00 WT0 H +ATOM 5810 OH2 TIP3 3859 21.533 14.397 20.745 0.00 0.00 WT0 O +ATOM 5811 H1 TIP3 3859 20.933 14.347 19.995 0.00 0.00 WT0 H +ATOM 5812 H2 TIP3 3859 21.433 13.557 21.185 0.00 0.00 WT0 H +ATOM 5813 OH2 TIP3 3874 0.540 -3.829 -1.509 0.00 0.00 WT0 O +ATOM 5814 H1 TIP3 3874 0.450 -4.759 -1.269 0.00 0.00 WT0 H +ATOM 5815 H2 TIP3 3874 -0.240 -3.649 -2.049 0.00 0.00 WT0 H +ATOM 5816 OH2 TIP3 3875 -24.417 3.401 9.183 0.00 0.00 WT0 O +ATOM 5817 H1 TIP3 3875 -23.977 3.301 8.343 0.00 0.00 WT0 H +ATOM 5818 H2 TIP3 3875 -24.007 2.751 9.753 0.00 0.00 WT0 H +ATOM 5819 OH2 TIP3 3878 24.343 7.257 14.396 0.00 0.00 WT0 O +ATOM 5820 H1 TIP3 3878 24.063 7.887 15.066 0.00 0.00 WT0 H +ATOM 5821 H2 TIP3 3878 25.223 7.547 14.136 0.00 0.00 WT0 H +ATOM 5822 OH2 TIP3 3880 11.716 20.379 6.326 0.00 0.00 WT0 O +ATOM 5823 H1 TIP3 3880 11.416 19.839 7.056 0.00 0.00 WT0 H +ATOM 5824 H2 TIP3 3880 12.436 19.879 5.946 0.00 0.00 WT0 H +ATOM 5825 OH2 TIP3 3882 6.565 18.144 13.488 0.00 0.00 WT0 O +ATOM 5826 H1 TIP3 3882 6.225 17.414 12.968 0.00 0.00 WT0 H +ATOM 5827 H2 TIP3 3882 6.805 18.804 12.838 0.00 0.00 WT0 H +ATOM 5828 OH2 TIP3 3886 -18.799 1.913 -15.028 0.00 0.00 WT0 O +ATOM 5829 H1 TIP3 3886 -18.909 1.933 -15.978 0.00 0.00 WT0 H +ATOM 5830 H2 TIP3 3886 -19.459 2.523 -14.688 0.00 0.00 WT0 H +ATOM 5831 OH2 TIP3 3888 -5.756 1.291 -23.525 0.00 0.00 WT0 O +ATOM 5832 H1 TIP3 3888 -6.566 0.951 -23.895 0.00 0.00 WT0 H +ATOM 5833 H2 TIP3 3888 -5.836 2.241 -23.615 0.00 0.00 WT0 H +ATOM 5834 OH2 TIP3 3891 -6.402 20.056 15.986 0.00 0.00 WT0 O +ATOM 5835 H1 TIP3 3891 -7.112 20.566 16.376 0.00 0.00 WT0 H +ATOM 5836 H2 TIP3 3891 -6.222 19.366 16.626 0.00 0.00 WT0 H +ATOM 5837 OH2 TIP3 3892 -19.140 21.730 13.641 0.00 0.00 WT0 O +ATOM 5838 H1 TIP3 3892 -19.580 22.550 13.871 0.00 0.00 WT0 H +ATOM 5839 H2 TIP3 3892 -19.700 21.050 14.011 0.00 0.00 WT0 H +ATOM 5840 OH2 TIP3 3899 1.374 0.301 22.072 0.00 0.00 WT0 O +ATOM 5841 H1 TIP3 3899 1.644 1.191 22.312 0.00 0.00 WT0 H +ATOM 5842 H2 TIP3 3899 1.124 0.371 21.152 0.00 0.00 WT0 H +ATOM 5843 OH2 TIP3 3919 -6.115 -13.430 21.276 0.00 0.00 WT0 O +ATOM 5844 H1 TIP3 3919 -5.265 -13.490 21.706 0.00 0.00 WT0 H +ATOM 5845 H2 TIP3 3919 -5.995 -12.770 20.586 0.00 0.00 WT0 H +ATOM 5846 OH2 TIP3 3924 -6.273 -17.208 -13.790 0.00 0.00 WT0 O +ATOM 5847 H1 TIP3 3924 -6.913 -17.048 -14.480 0.00 0.00 WT0 H +ATOM 5848 H2 TIP3 3924 -6.793 -17.368 -13.010 0.00 0.00 WT0 H +ATOM 5849 OH2 TIP3 3925 21.805 4.753 9.520 0.00 0.00 WT0 O +ATOM 5850 H1 TIP3 3925 21.465 5.273 8.790 0.00 0.00 WT0 H +ATOM 5851 H2 TIP3 3925 22.745 4.723 9.370 0.00 0.00 WT0 H +ATOM 5852 OH2 TIP3 3931 7.447 3.534 -2.603 0.00 0.00 WT0 O +ATOM 5853 H1 TIP3 3931 7.087 3.554 -3.483 0.00 0.00 WT0 H +ATOM 5854 H2 TIP3 3931 7.987 2.744 -2.583 0.00 0.00 WT0 H +ATOM 5855 OH2 TIP3 3932 9.094 14.203 -23.914 0.00 0.00 WT0 O +ATOM 5856 H1 TIP3 3932 9.924 14.223 -23.434 0.00 0.00 WT0 H +ATOM 5857 H2 TIP3 3932 8.874 15.123 -24.054 0.00 0.00 WT0 H +ATOM 5858 OH2 TIP3 3933 9.643 -14.983 -18.508 0.00 0.00 WT0 O +ATOM 5859 H1 TIP3 3933 10.153 -14.473 -17.878 0.00 0.00 WT0 H +ATOM 5860 H2 TIP3 3933 9.113 -15.563 -17.968 0.00 0.00 WT0 H +ATOM 5861 OH2 TIP3 3935 21.335 21.489 4.117 0.00 0.00 WT0 O +ATOM 5862 H1 TIP3 3935 20.745 22.069 3.627 0.00 0.00 WT0 H +ATOM 5863 H2 TIP3 3935 22.205 21.729 3.797 0.00 0.00 WT0 H +ATOM 5864 OH2 TIP3 3938 -0.093 15.262 23.084 0.00 0.00 WT0 O +ATOM 5865 H1 TIP3 3938 -0.213 15.722 22.254 0.00 0.00 WT0 H +ATOM 5866 H2 TIP3 3938 0.767 14.852 23.014 0.00 0.00 WT0 H +ATOM 5867 OH2 TIP3 3940 22.148 -9.013 13.979 0.00 0.00 WT0 O +ATOM 5868 H1 TIP3 3940 22.488 -9.893 14.149 0.00 0.00 WT0 H +ATOM 5869 H2 TIP3 3940 22.928 -8.473 13.849 0.00 0.00 WT0 H +ATOM 5870 OH2 TIP3 3951 -12.313 21.000 -6.818 0.00 0.00 WT0 O +ATOM 5871 H1 TIP3 3951 -12.053 20.910 -7.738 0.00 0.00 WT0 H +ATOM 5872 H2 TIP3 3951 -12.783 20.190 -6.618 0.00 0.00 WT0 H +ATOM 5873 OH2 TIP3 3956 2.391 -17.183 4.962 0.00 0.00 WT0 O +ATOM 5874 H1 TIP3 3956 1.751 -17.763 4.552 0.00 0.00 WT0 H +ATOM 5875 H2 TIP3 3956 3.221 -17.423 4.562 0.00 0.00 WT0 H +ATOM 5876 OH2 TIP3 3962 -21.531 9.831 -8.654 0.00 0.00 WT0 O +ATOM 5877 H1 TIP3 3962 -21.971 10.681 -8.714 0.00 0.00 WT0 H +ATOM 5878 H2 TIP3 3962 -21.401 9.561 -9.554 0.00 0.00 WT0 H +ATOM 5879 OH2 TIP3 3965 -19.501 12.817 16.332 0.00 0.00 WT0 O +ATOM 5880 H1 TIP3 3965 -19.261 13.687 16.022 0.00 0.00 WT0 H +ATOM 5881 H2 TIP3 3965 -20.441 12.747 16.132 0.00 0.00 WT0 H +ATOM 5882 OH2 TIP3 3972 -9.232 -2.782 -4.055 0.00 0.00 WT0 O +ATOM 5883 H1 TIP3 3972 -8.352 -3.112 -3.875 0.00 0.00 WT0 H +ATOM 5884 H2 TIP3 3972 -9.812 -3.372 -3.575 0.00 0.00 WT0 H +ATOM 5885 OH2 TIP3 3973 -24.885 4.787 20.997 0.00 0.00 WT0 O +ATOM 5886 H1 TIP3 3973 -25.125 5.687 21.197 0.00 0.00 WT0 H +ATOM 5887 H2 TIP3 3973 -24.185 4.867 20.357 0.00 0.00 WT0 H +ATOM 5888 OH2 TIP3 3974 -16.321 -13.446 -17.780 0.00 0.00 WT0 O +ATOM 5889 H1 TIP3 3974 -15.711 -13.816 -17.150 0.00 0.00 WT0 H +ATOM 5890 H2 TIP3 3974 -17.001 -13.036 -17.250 0.00 0.00 WT0 H +ATOM 5891 OH2 TIP3 3975 -12.715 7.139 -25.076 0.00 0.00 WT0 O +ATOM 5892 H1 TIP3 3975 -11.775 7.159 -25.256 0.00 0.00 WT0 H +ATOM 5893 H2 TIP3 3975 -12.795 7.429 -24.166 0.00 0.00 WT0 H +ATOM 5894 OH2 TIP3 3976 -20.535 12.573 -22.811 0.00 0.00 WT0 O +ATOM 5895 H1 TIP3 3976 -20.395 13.043 -23.641 0.00 0.00 WT0 H +ATOM 5896 H2 TIP3 3976 -19.955 12.993 -22.191 0.00 0.00 WT0 H +ATOM 5897 OH2 TIP3 3977 11.994 15.298 -19.274 0.00 0.00 WT0 O +ATOM 5898 H1 TIP3 3977 12.614 15.958 -18.974 0.00 0.00 WT0 H +ATOM 5899 H2 TIP3 3977 11.344 15.238 -18.564 0.00 0.00 WT0 H +ATOM 5900 OH2 TIP3 3982 20.964 23.663 2.542 0.00 0.00 WT0 O +ATOM 5901 H1 TIP3 3982 21.654 23.743 3.192 0.00 0.00 WT0 H +ATOM 5902 H2 TIP3 3982 20.564 24.533 2.522 0.00 0.00 WT0 H +ATOM 5903 OH2 TIP3 3983 -5.791 15.444 15.650 0.00 0.00 WT0 O +ATOM 5904 H1 TIP3 3983 -5.821 15.014 16.500 0.00 0.00 WT0 H +ATOM 5905 H2 TIP3 3983 -6.291 16.254 15.770 0.00 0.00 WT0 H +ATOM 5906 OH2 TIP3 3986 -0.907 18.864 -10.493 0.00 0.00 WT0 O +ATOM 5907 H1 TIP3 3986 -0.667 18.104 -9.963 0.00 0.00 WT0 H +ATOM 5908 H2 TIP3 3986 -1.787 18.664 -10.813 0.00 0.00 WT0 H +ATOM 5909 OH2 TIP3 3991 -2.343 1.188 8.005 0.00 0.00 WT0 O +ATOM 5910 H1 TIP3 3991 -3.233 0.848 8.145 0.00 0.00 WT0 H +ATOM 5911 H2 TIP3 3991 -2.303 1.358 7.065 0.00 0.00 WT0 H +ATOM 5912 OH2 TIP3 3992 4.820 14.038 1.635 0.00 0.00 WT0 O +ATOM 5913 H1 TIP3 3992 5.270 14.528 2.325 0.00 0.00 WT0 H +ATOM 5914 H2 TIP3 3992 4.830 14.628 0.885 0.00 0.00 WT0 H +ATOM 5915 OH2 TIP3 3993 -0.571 -2.040 4.660 0.00 0.00 WT0 O +ATOM 5916 H1 TIP3 3993 -0.431 -1.150 5.010 0.00 0.00 WT0 H +ATOM 5917 H2 TIP3 3993 0.159 -2.180 4.060 0.00 0.00 WT0 H +ATOM 5918 OH2 TIP3 3996 -2.563 1.532 -13.120 0.00 0.00 WT0 O +ATOM 5919 H1 TIP3 3996 -3.403 1.342 -13.530 0.00 0.00 WT0 H +ATOM 5920 H2 TIP3 3996 -2.033 0.762 -13.300 0.00 0.00 WT0 H +ATOM 5921 OH2 TIP3 3997 1.945 -11.428 -21.151 0.00 0.00 WT0 O +ATOM 5922 H1 TIP3 3997 1.885 -12.048 -21.871 0.00 0.00 WT0 H +ATOM 5923 H2 TIP3 3997 1.175 -11.608 -20.611 0.00 0.00 WT0 H +ATOM 5924 OH2 TIP3 3998 -9.849 10.375 -2.315 0.00 0.00 WT0 O +ATOM 5925 H1 TIP3 3998 -10.399 11.145 -2.475 0.00 0.00 WT0 H +ATOM 5926 H2 TIP3 3998 -9.879 9.885 -3.145 0.00 0.00 WT0 H +ATOM 5927 OH2 TIP3 3999 -7.055 18.228 -22.887 0.00 0.00 WT0 O +ATOM 5928 H1 TIP3 3999 -7.665 18.028 -23.587 0.00 0.00 WT0 H +ATOM 5929 H2 TIP3 3999 -6.905 19.168 -22.957 0.00 0.00 WT0 H +ATOM 5930 OH2 TIP3 4000 -21.292 -9.435 7.192 0.00 0.00 WT0 O +ATOM 5931 H1 TIP3 4000 -21.952 -8.805 6.902 0.00 0.00 WT0 H +ATOM 5932 H2 TIP3 4000 -20.562 -9.305 6.582 0.00 0.00 WT0 H +ATOM 5933 OH2 TIP3 4001 -5.840 9.839 -16.300 0.00 0.00 WT0 O +ATOM 5934 H1 TIP3 4001 -5.950 9.749 -15.360 0.00 0.00 WT0 H +ATOM 5935 H2 TIP3 4001 -6.650 9.499 -16.670 0.00 0.00 WT0 H +ATOM 5936 OH2 TIP3 4002 -3.954 14.820 9.812 0.00 0.00 WT0 O +ATOM 5937 H1 TIP3 4002 -4.174 15.110 8.932 0.00 0.00 WT0 H +ATOM 5938 H2 TIP3 4002 -3.084 14.430 9.722 0.00 0.00 WT0 H +ATOM 5939 OH2 TIP3 4004 -11.094 17.409 19.078 0.00 0.00 WT0 O +ATOM 5940 H1 TIP3 4004 -10.474 16.949 18.518 0.00 0.00 WT0 H +ATOM 5941 H2 TIP3 4004 -11.954 17.219 18.688 0.00 0.00 WT0 H +ATOM 5942 OH2 TIP3 4005 -6.202 19.723 13.023 0.00 0.00 WT0 O +ATOM 5943 H1 TIP3 4005 -6.402 19.793 13.953 0.00 0.00 WT0 H +ATOM 5944 H2 TIP3 4005 -7.042 19.863 12.583 0.00 0.00 WT0 H +ATOM 5945 OH2 TIP3 4006 -13.467 -20.536 -4.358 0.00 0.00 WT0 O +ATOM 5946 H1 TIP3 4006 -12.717 -20.696 -3.778 0.00 0.00 WT0 H +ATOM 5947 H2 TIP3 4006 -13.427 -21.236 -4.998 0.00 0.00 WT0 H +ATOM 5948 OH2 TIP3 4008 -17.560 -24.504 5.753 0.00 0.00 WT0 O +ATOM 5949 H1 TIP3 4008 -18.210 -24.474 5.053 0.00 0.00 WT0 H +ATOM 5950 H2 TIP3 4008 -16.810 -24.004 5.403 0.00 0.00 WT0 H +ATOM 5951 OH2 TIP3 4009 24.533 8.882 16.681 0.00 0.00 WT0 O +ATOM 5952 H1 TIP3 4009 25.343 8.672 17.131 0.00 0.00 WT0 H +ATOM 5953 H2 TIP3 4009 24.033 9.402 17.311 0.00 0.00 WT0 H +ATOM 5954 OH2 TIP3 4010 17.484 18.389 24.606 0.00 0.00 WT0 O +ATOM 5955 H1 TIP3 4010 17.304 17.479 24.876 0.00 0.00 WT0 H +ATOM 5956 H2 TIP3 4010 16.744 18.889 24.956 0.00 0.00 WT0 H +ATOM 5957 OH2 TIP3 4012 -8.559 0.171 -3.341 0.00 0.00 WT0 O +ATOM 5958 H1 TIP3 4012 -7.669 -0.139 -3.181 0.00 0.00 WT0 H +ATOM 5959 H2 TIP3 4012 -9.069 -0.629 -3.471 0.00 0.00 WT0 H +ATOM 5960 OH2 TIP3 4014 -13.535 -14.978 3.433 0.00 0.00 WT0 O +ATOM 5961 H1 TIP3 4014 -12.905 -15.508 2.933 0.00 0.00 WT0 H +ATOM 5962 H2 TIP3 4014 -13.595 -15.418 4.273 0.00 0.00 WT0 H +ATOM 5963 OH2 TIP3 4015 16.190 -0.805 -13.375 0.00 0.00 WT0 O +ATOM 5964 H1 TIP3 4015 15.740 -0.895 -12.535 0.00 0.00 WT0 H +ATOM 5965 H2 TIP3 4015 15.510 -0.545 -13.995 0.00 0.00 WT0 H +ATOM 5966 OH2 TIP3 4016 -2.839 20.503 -8.762 0.00 0.00 WT0 O +ATOM 5967 H1 TIP3 4016 -2.229 19.803 -9.012 0.00 0.00 WT0 H +ATOM 5968 H2 TIP3 4016 -2.999 20.363 -7.832 0.00 0.00 WT0 H +ATOM 5969 OH2 TIP3 4017 21.611 9.299 -20.488 0.00 0.00 WT0 O +ATOM 5970 H1 TIP3 4017 22.311 9.599 -19.898 0.00 0.00 WT0 H +ATOM 5971 H2 TIP3 4017 22.071 8.829 -21.178 0.00 0.00 WT0 H +ATOM 5972 OH2 TIP3 4018 11.751 -14.427 0.150 0.00 0.00 WT0 O +ATOM 5973 H1 TIP3 4018 11.271 -14.007 -0.570 0.00 0.00 WT0 H +ATOM 5974 H2 TIP3 4018 12.111 -13.707 0.660 0.00 0.00 WT0 H +ATOM 5975 OH2 TIP3 4019 -10.806 1.519 -24.574 0.00 0.00 WT0 O +ATOM 5976 H1 TIP3 4019 -11.586 1.139 -24.984 0.00 0.00 WT0 H +ATOM 5977 H2 TIP3 4019 -10.746 1.089 -23.724 0.00 0.00 WT0 H +ATOM 5978 OH2 TIP3 4021 -23.066 21.854 -21.705 0.00 0.00 WT0 O +ATOM 5979 H1 TIP3 4021 -22.226 21.944 -22.155 0.00 0.00 WT0 H +ATOM 5980 H2 TIP3 4021 -22.866 22.024 -20.785 0.00 0.00 WT0 H +ATOM 5981 OH2 TIP3 4022 17.948 -16.994 14.972 0.00 0.00 WT0 O +ATOM 5982 H1 TIP3 4022 17.608 -17.814 15.312 0.00 0.00 WT0 H +ATOM 5983 H2 TIP3 4022 18.538 -16.684 15.652 0.00 0.00 WT0 H +ATOM 5984 OH2 TIP3 4026 -13.371 -16.961 0.939 0.00 0.00 WT0 O +ATOM 5985 H1 TIP3 4026 -12.621 -17.001 0.349 0.00 0.00 WT0 H +ATOM 5986 H2 TIP3 4026 -14.071 -17.421 0.469 0.00 0.00 WT0 H +ATOM 5987 OH2 TIP3 4030 -16.295 -9.597 11.071 0.00 0.00 WT0 O +ATOM 5988 H1 TIP3 4030 -16.925 -10.227 11.421 0.00 0.00 WT0 H +ATOM 5989 H2 TIP3 4030 -16.835 -8.867 10.761 0.00 0.00 WT0 H +ATOM 5990 OH2 TIP3 4033 19.486 -14.578 -7.601 0.00 0.00 WT0 O +ATOM 5991 H1 TIP3 4033 19.656 -13.698 -7.271 0.00 0.00 WT0 H +ATOM 5992 H2 TIP3 4033 19.036 -14.448 -8.431 0.00 0.00 WT0 H +ATOM 5993 OH2 TIP3 4035 13.276 -15.428 6.121 0.00 0.00 WT0 O +ATOM 5994 H1 TIP3 4035 13.566 -14.518 6.061 0.00 0.00 WT0 H +ATOM 5995 H2 TIP3 4035 13.476 -15.808 5.271 0.00 0.00 WT0 H +ATOM 5996 OH2 TIP3 4036 3.566 5.646 12.015 0.00 0.00 WT0 O +ATOM 5997 H1 TIP3 4036 2.836 6.256 12.115 0.00 0.00 WT0 H +ATOM 5998 H2 TIP3 4036 4.036 5.956 11.235 0.00 0.00 WT0 H +ATOM 5999 OH2 TIP3 4037 -19.245 11.268 -5.870 0.00 0.00 WT0 O +ATOM 6000 H1 TIP3 4037 -20.095 11.628 -5.610 0.00 0.00 WT0 H +ATOM 6001 H2 TIP3 4037 -19.435 10.748 -6.650 0.00 0.00 WT0 H +ATOM 6002 OH2 TIP3 4039 -18.366 -7.315 -3.293 0.00 0.00 WT0 O +ATOM 6003 H1 TIP3 4039 -17.956 -8.145 -3.553 0.00 0.00 WT0 H +ATOM 6004 H2 TIP3 4039 -18.026 -7.145 -2.413 0.00 0.00 WT0 H +ATOM 6005 OH2 TIP3 4040 -17.005 3.763 22.043 0.00 0.00 WT0 O +ATOM 6006 H1 TIP3 4040 -17.245 4.653 21.793 0.00 0.00 WT0 H +ATOM 6007 H2 TIP3 4040 -16.735 3.843 22.963 0.00 0.00 WT0 H +ATOM 6008 OH2 TIP3 4041 12.586 -17.977 -12.541 0.00 0.00 WT0 O +ATOM 6009 H1 TIP3 4041 11.896 -17.387 -12.221 0.00 0.00 WT0 H +ATOM 6010 H2 TIP3 4041 12.116 -18.657 -13.011 0.00 0.00 WT0 H +ATOM 6011 OH2 TIP3 4042 12.688 17.930 -19.338 0.00 0.00 WT0 O +ATOM 6012 H1 TIP3 4042 12.338 17.820 -20.218 0.00 0.00 WT0 H +ATOM 6013 H2 TIP3 4042 13.478 18.470 -19.458 0.00 0.00 WT0 H +ATOM 6014 OH2 TIP3 4043 -23.930 15.178 17.548 0.00 0.00 WT0 O +ATOM 6015 H1 TIP3 4043 -24.480 15.218 18.328 0.00 0.00 WT0 H +ATOM 6016 H2 TIP3 4043 -23.090 15.548 17.838 0.00 0.00 WT0 H +ATOM 6017 OH2 TIP3 4044 4.517 -7.432 -4.611 0.00 0.00 WT0 O +ATOM 6018 H1 TIP3 4044 5.087 -7.322 -3.851 0.00 0.00 WT0 H +ATOM 6019 H2 TIP3 4044 5.077 -7.842 -5.271 0.00 0.00 WT0 H +ATOM 6020 OH2 TIP3 4045 14.638 14.043 16.667 0.00 0.00 WT0 O +ATOM 6021 H1 TIP3 4045 14.278 13.653 15.867 0.00 0.00 WT0 H +ATOM 6022 H2 TIP3 4045 15.478 14.413 16.397 0.00 0.00 WT0 H +ATOM 6023 OH2 TIP3 4046 16.757 11.009 -1.015 0.00 0.00 WT0 O +ATOM 6024 H1 TIP3 4046 17.217 10.349 -1.545 0.00 0.00 WT0 H +ATOM 6025 H2 TIP3 4046 17.437 11.639 -0.795 0.00 0.00 WT0 H +ATOM 6026 OH2 TIP3 4053 18.784 18.217 -21.878 0.00 0.00 WT0 O +ATOM 6027 H1 TIP3 4053 19.264 18.697 -22.558 0.00 0.00 WT0 H +ATOM 6028 H2 TIP3 4053 19.384 18.197 -21.128 0.00 0.00 WT0 H +ATOM 6029 OH2 TIP3 4054 2.077 -19.022 -11.317 0.00 0.00 WT0 O +ATOM 6030 H1 TIP3 4054 1.497 -18.362 -11.707 0.00 0.00 WT0 H +ATOM 6031 H2 TIP3 4054 2.907 -18.562 -11.187 0.00 0.00 WT0 H +ATOM 6032 OH2 TIP3 4055 11.467 -11.784 10.581 0.00 0.00 WT0 O +ATOM 6033 H1 TIP3 4055 12.217 -11.344 10.981 0.00 0.00 WT0 H +ATOM 6034 H2 TIP3 4055 11.607 -12.714 10.771 0.00 0.00 WT0 H +ATOM 6035 OH2 TIP3 4057 0.478 -4.325 15.902 0.00 0.00 WT0 O +ATOM 6036 H1 TIP3 4057 0.348 -4.975 16.592 0.00 0.00 WT0 H +ATOM 6037 H2 TIP3 4057 0.148 -3.515 16.272 0.00 0.00 WT0 H +ATOM 6038 OH2 TIP3 4061 6.332 20.492 -22.413 0.00 0.00 WT0 O +ATOM 6039 H1 TIP3 4061 6.023 19.592 -22.363 0.00 0.00 WT0 H +ATOM 6040 H2 TIP3 4061 6.873 20.522 -23.193 0.00 0.00 WT0 H +ATOM 6041 OH2 TIP3 4062 3.378 18.407 22.669 0.00 0.00 WT0 O +ATOM 6042 H1 TIP3 4062 2.428 18.317 22.699 0.00 0.00 WT0 H +ATOM 6043 H2 TIP3 4062 3.698 17.587 22.299 0.00 0.00 WT0 H +ATOM 6044 OH2 TIP3 4063 1.451 -23.125 24.681 0.00 0.00 WT0 O +ATOM 6045 H1 TIP3 4063 1.091 -22.585 25.381 0.00 0.00 WT0 H +ATOM 6046 H2 TIP3 4063 1.091 -23.995 24.831 0.00 0.00 WT0 H +ATOM 6047 OH2 TIP3 4064 -12.655 22.265 4.100 0.00 0.00 WT0 O +ATOM 6048 H1 TIP3 4064 -12.385 23.045 3.620 0.00 0.00 WT0 H +ATOM 6049 H2 TIP3 4064 -13.535 22.075 3.790 0.00 0.00 WT0 H +ATOM 6050 OH2 TIP3 4065 -21.386 -12.266 11.356 0.00 0.00 WT0 O +ATOM 6051 H1 TIP3 4065 -21.556 -13.166 11.066 0.00 0.00 WT0 H +ATOM 6052 H2 TIP3 4065 -20.476 -12.266 11.636 0.00 0.00 WT0 H +ATOM 6053 OH2 TIP3 4067 -8.460 23.202 -18.045 0.00 0.00 WT0 O +ATOM 6054 H1 TIP3 4067 -7.540 22.982 -17.855 0.00 0.00 WT0 H +ATOM 6055 H2 TIP3 4067 -8.420 24.062 -18.455 0.00 0.00 WT0 H +ATOM 6056 OH2 TIP3 4068 4.684 -14.107 -22.698 0.00 0.00 WT0 O +ATOM 6057 H1 TIP3 4068 4.894 -13.757 -23.558 0.00 0.00 WT0 H +ATOM 6058 H2 TIP3 4068 4.624 -15.047 -22.828 0.00 0.00 WT0 H +ATOM 6059 OH2 TIP3 4072 24.427 7.099 5.536 0.00 0.00 WT0 O +ATOM 6060 H1 TIP3 4072 23.767 7.179 4.846 0.00 0.00 WT0 H +ATOM 6061 H2 TIP3 4072 24.837 6.249 5.386 0.00 0.00 WT0 H +ATOM 6062 OH2 TIP3 4074 -2.604 -22.627 -24.404 0.00 0.00 WT0 O +ATOM 6063 H1 TIP3 4074 -2.834 -21.697 -24.334 0.00 0.00 WT0 H +ATOM 6064 H2 TIP3 4074 -2.814 -22.857 -25.314 0.00 0.00 WT0 H +ATOM 6065 OH2 TIP3 4076 -5.645 -22.507 -8.333 0.00 0.00 WT0 O +ATOM 6066 H1 TIP3 4076 -5.045 -22.197 -7.653 0.00 0.00 WT0 H +ATOM 6067 H2 TIP3 4076 -5.455 -21.957 -9.093 0.00 0.00 WT0 H +ATOM 6068 OH2 TIP3 4077 -22.320 10.996 17.975 0.00 0.00 WT0 O +ATOM 6069 H1 TIP3 4077 -22.890 10.346 18.375 0.00 0.00 WT0 H +ATOM 6070 H2 TIP3 4077 -22.810 11.816 18.025 0.00 0.00 WT0 H +ATOM 6071 OH2 TIP3 4079 -10.799 9.570 19.242 0.00 0.00 WT0 O +ATOM 6072 H1 TIP3 4079 -9.979 9.570 18.762 0.00 0.00 WT0 H +ATOM 6073 H2 TIP3 4079 -10.879 10.460 19.572 0.00 0.00 WT0 H +ATOM 6074 OH2 TIP3 4082 21.867 -2.487 9.808 0.00 0.00 WT0 O +ATOM 6075 H1 TIP3 4082 22.207 -3.157 9.208 0.00 0.00 WT0 H +ATOM 6076 H2 TIP3 4082 22.167 -2.757 10.678 0.00 0.00 WT0 H +ATOM 6077 OH2 TIP3 4084 -14.153 -9.665 -23.558 0.00 0.00 WT0 O +ATOM 6078 H1 TIP3 4084 -13.593 -10.015 -22.858 0.00 0.00 WT0 H +ATOM 6079 H2 TIP3 4084 -13.733 -9.955 -24.368 0.00 0.00 WT0 H +ATOM 6080 OH2 TIP3 4086 -21.426 -7.598 0.770 0.00 0.00 WT0 O +ATOM 6081 H1 TIP3 4086 -21.476 -8.518 1.030 0.00 0.00 WT0 H +ATOM 6082 H2 TIP3 4086 -21.136 -7.618 -0.140 0.00 0.00 WT0 H +ATOM 6083 OH2 TIP3 4087 4.540 18.615 -4.213 0.00 0.00 WT0 O +ATOM 6084 H1 TIP3 4087 4.060 19.305 -4.673 0.00 0.00 WT0 H +ATOM 6085 H2 TIP3 4087 5.080 18.205 -4.893 0.00 0.00 WT0 H +ATOM 6086 OH2 TIP3 4088 13.035 24.394 -6.085 0.00 0.00 WT0 O +ATOM 6087 H1 TIP3 4088 13.645 24.064 -5.425 0.00 0.00 WT0 H +ATOM 6088 H2 TIP3 4088 13.195 25.334 -6.105 0.00 0.00 WT0 H +ATOM 6089 OH2 TIP3 4089 -20.647 -16.312 -1.884 0.00 0.00 WT0 O +ATOM 6090 H1 TIP3 4089 -20.057 -16.372 -2.644 0.00 0.00 WT0 H +ATOM 6091 H2 TIP3 4089 -20.847 -15.382 -1.804 0.00 0.00 WT0 H +ATOM 6092 OH2 TIP3 4091 -13.547 16.059 16.516 0.00 0.00 WT0 O +ATOM 6093 H1 TIP3 4091 -14.207 15.849 17.176 0.00 0.00 WT0 H +ATOM 6094 H2 TIP3 4091 -12.877 15.379 16.616 0.00 0.00 WT0 H +ATOM 6095 OH2 TIP3 4092 -4.705 19.985 -18.048 0.00 0.00 WT0 O +ATOM 6096 H1 TIP3 4092 -4.025 19.695 -18.668 0.00 0.00 WT0 H +ATOM 6097 H2 TIP3 4092 -4.945 19.185 -17.578 0.00 0.00 WT0 H +ATOM 6098 OH2 TIP3 4093 8.524 9.081 5.839 0.00 0.00 WT0 O +ATOM 6099 H1 TIP3 4093 8.104 8.241 6.039 0.00 0.00 WT0 H +ATOM 6100 H2 TIP3 4093 9.284 8.851 5.299 0.00 0.00 WT0 H +ATOM 6101 OH2 TIP3 4096 16.179 15.964 -6.370 0.00 0.00 WT0 O +ATOM 6102 H1 TIP3 4096 17.119 16.114 -6.280 0.00 0.00 WT0 H +ATOM 6103 H2 TIP3 4096 16.069 15.644 -7.270 0.00 0.00 WT0 H +ATOM 6104 OH2 TIP3 4097 -14.716 20.986 13.514 0.00 0.00 WT0 O +ATOM 6105 H1 TIP3 4097 -14.866 21.896 13.764 0.00 0.00 WT0 H +ATOM 6106 H2 TIP3 4097 -14.486 21.026 12.584 0.00 0.00 WT0 H +ATOM 6107 OH2 TIP3 4098 6.173 17.021 -6.303 0.00 0.00 WT0 O +ATOM 6108 H1 TIP3 4098 6.733 17.081 -5.533 0.00 0.00 WT0 H +ATOM 6109 H2 TIP3 4098 6.593 17.571 -6.953 0.00 0.00 WT0 H +ATOM 6110 OH2 TIP3 4099 -14.560 0.531 2.721 0.00 0.00 WT0 O +ATOM 6111 H1 TIP3 4099 -14.280 1.061 1.981 0.00 0.00 WT0 H +ATOM 6112 H2 TIP3 4099 -13.810 -0.049 2.901 0.00 0.00 WT0 H +ATOM 6113 OH2 TIP3 4101 -2.634 -20.645 14.326 0.00 0.00 WT0 O +ATOM 6114 H1 TIP3 4101 -2.444 -21.525 14.646 0.00 0.00 WT0 H +ATOM 6115 H2 TIP3 4101 -3.564 -20.515 14.526 0.00 0.00 WT0 H +ATOM 6116 OH2 TIP3 4103 -17.275 4.230 -20.994 0.00 0.00 WT0 O +ATOM 6117 H1 TIP3 4103 -16.485 4.020 -21.494 0.00 0.00 WT0 H +ATOM 6118 H2 TIP3 4103 -16.945 4.680 -20.214 0.00 0.00 WT0 H +ATOM 6119 OH2 TIP3 4105 -22.165 16.677 7.502 0.00 0.00 WT0 O +ATOM 6120 H1 TIP3 4105 -22.625 16.617 8.332 0.00 0.00 WT0 H +ATOM 6121 H2 TIP3 4105 -21.735 15.827 7.402 0.00 0.00 WT0 H +ATOM 6122 OH2 TIP3 4106 -23.220 17.920 -20.395 0.00 0.00 WT0 O +ATOM 6123 H1 TIP3 4106 -23.090 17.080 -19.955 0.00 0.00 WT0 H +ATOM 6124 H2 TIP3 4106 -22.780 17.810 -21.235 0.00 0.00 WT0 H +ATOM 6125 OH2 TIP3 4107 -11.435 -22.349 -2.866 0.00 0.00 WT0 O +ATOM 6126 H1 TIP3 4107 -10.845 -22.369 -2.116 0.00 0.00 WT0 H +ATOM 6127 H2 TIP3 4107 -10.935 -22.729 -3.586 0.00 0.00 WT0 H +ATOM 6128 OH2 TIP3 4108 17.481 -15.026 -13.508 0.00 0.00 WT0 O +ATOM 6129 H1 TIP3 4108 17.111 -14.146 -13.408 0.00 0.00 WT0 H +ATOM 6130 H2 TIP3 4108 18.031 -15.146 -12.728 0.00 0.00 WT0 H +ATOM 6131 OH2 TIP3 4109 -18.249 20.633 6.189 0.00 0.00 WT0 O +ATOM 6132 H1 TIP3 4109 -18.509 21.183 5.449 0.00 0.00 WT0 H +ATOM 6133 H2 TIP3 4109 -17.369 20.333 5.959 0.00 0.00 WT0 H +ATOM 6134 OH2 TIP3 4110 4.344 22.489 2.961 0.00 0.00 WT0 O +ATOM 6135 H1 TIP3 4110 5.014 23.109 3.241 0.00 0.00 WT0 H +ATOM 6136 H2 TIP3 4110 4.534 21.679 3.441 0.00 0.00 WT0 H +ATOM 6137 OH2 TIP3 4111 -15.729 -2.455 22.827 0.00 0.00 WT0 O +ATOM 6138 H1 TIP3 4111 -15.019 -2.565 22.197 0.00 0.00 WT0 H +ATOM 6139 H2 TIP3 4111 -16.499 -2.285 22.287 0.00 0.00 WT0 H +ATOM 6140 OH2 TIP3 4116 13.503 -23.249 -5.824 0.00 0.00 WT0 O +ATOM 6141 H1 TIP3 4116 13.953 -22.499 -6.224 0.00 0.00 WT0 H +ATOM 6142 H2 TIP3 4116 14.123 -23.579 -5.184 0.00 0.00 WT0 H +ATOM 6143 OH2 TIP3 4119 -22.540 -22.899 -15.007 0.00 0.00 WT0 O +ATOM 6144 H1 TIP3 4119 -22.870 -23.409 -14.267 0.00 0.00 WT0 H +ATOM 6145 H2 TIP3 4119 -23.080 -23.179 -15.747 0.00 0.00 WT0 H +ATOM 6146 OH2 TIP3 4120 13.412 1.200 0.301 0.00 0.00 WT0 O +ATOM 6147 H1 TIP3 4120 13.132 0.400 -0.149 0.00 0.00 WT0 H +ATOM 6148 H2 TIP3 4120 13.791 1.740 -0.379 0.00 0.00 WT0 H +ATOM 6149 OH2 TIP3 4121 -3.445 11.220 -2.734 0.00 0.00 WT0 O +ATOM 6150 H1 TIP3 4121 -2.485 11.250 -2.674 0.00 0.00 WT0 H +ATOM 6151 H2 TIP3 4121 -3.675 12.040 -3.174 0.00 0.00 WT0 H +ATOM 6152 OH2 TIP3 4123 11.913 -21.371 11.519 0.00 0.00 WT0 O +ATOM 6153 H1 TIP3 4123 12.223 -21.571 12.399 0.00 0.00 WT0 H +ATOM 6154 H2 TIP3 4123 11.663 -22.221 11.159 0.00 0.00 WT0 H +ATOM 6155 OH2 TIP3 4124 18.218 8.984 -2.118 0.00 0.00 WT0 O +ATOM 6156 H1 TIP3 4124 19.128 9.014 -2.408 0.00 0.00 WT0 H +ATOM 6157 H2 TIP3 4124 17.808 8.334 -2.688 0.00 0.00 WT0 H +ATOM 6158 OH2 TIP3 4128 9.810 -18.536 -12.055 0.00 0.00 WT0 O +ATOM 6159 H1 TIP3 4128 9.780 -19.466 -11.815 0.00 0.00 WT0 H +ATOM 6160 H2 TIP3 4128 9.200 -18.116 -11.445 0.00 0.00 WT0 H +ATOM 6161 OH2 TIP3 4129 -14.087 13.843 21.940 0.00 0.00 WT0 O +ATOM 6162 H1 TIP3 4129 -14.147 14.483 21.240 0.00 0.00 WT0 H +ATOM 6163 H2 TIP3 4129 -14.697 14.163 22.610 0.00 0.00 WT0 H +ATOM 6164 OH2 TIP3 4131 19.769 -1.455 17.599 0.00 0.00 WT0 O +ATOM 6165 H1 TIP3 4131 20.179 -2.275 17.879 0.00 0.00 WT0 H +ATOM 6166 H2 TIP3 4131 20.459 -0.805 17.669 0.00 0.00 WT0 H +ATOM 6167 OH2 TIP3 4138 -23.510 12.122 -9.024 0.00 0.00 WT0 O +ATOM 6168 H1 TIP3 4138 -23.910 12.992 -8.944 0.00 0.00 WT0 H +ATOM 6169 H2 TIP3 4138 -24.260 11.532 -9.134 0.00 0.00 WT0 H +ATOM 6170 OH2 TIP3 4139 -11.787 -19.994 -16.968 0.00 0.00 WT0 O +ATOM 6171 H1 TIP3 4139 -11.947 -20.774 -16.428 0.00 0.00 WT0 H +ATOM 6172 H2 TIP3 4139 -11.397 -19.364 -16.358 0.00 0.00 WT0 H +ATOM 6173 OH2 TIP3 4141 -16.325 -11.561 14.435 0.00 0.00 WT0 O +ATOM 6174 H1 TIP3 4141 -17.075 -11.621 13.855 0.00 0.00 WT0 H +ATOM 6175 H2 TIP3 4141 -15.565 -11.691 13.875 0.00 0.00 WT0 H +ATOM 6176 OH2 TIP3 4142 -2.882 -1.615 22.048 0.00 0.00 WT0 O +ATOM 6177 H1 TIP3 4142 -2.342 -1.225 21.358 0.00 0.00 WT0 H +ATOM 6178 H2 TIP3 4142 -2.802 -1.015 22.788 0.00 0.00 WT0 H +ATOM 6179 OH2 TIP3 4144 7.524 -4.820 23.590 0.00 0.00 WT0 O +ATOM 6180 H1 TIP3 4144 6.904 -4.430 24.210 0.00 0.00 WT0 H +ATOM 6181 H2 TIP3 4144 8.374 -4.780 24.040 0.00 0.00 WT0 H +ATOM 6182 OH2 TIP3 4145 -5.509 15.179 20.519 0.00 0.00 WT0 O +ATOM 6183 H1 TIP3 4145 -5.589 15.569 19.649 0.00 0.00 WT0 H +ATOM 6184 H2 TIP3 4145 -5.179 15.889 21.069 0.00 0.00 WT0 H +ATOM 6185 OH2 TIP3 4147 3.105 -12.139 20.584 0.00 0.00 WT0 O +ATOM 6186 H1 TIP3 4147 3.675 -11.769 19.914 0.00 0.00 WT0 H +ATOM 6187 H2 TIP3 4147 3.315 -11.649 21.384 0.00 0.00 WT0 H +ATOM 6188 OH2 TIP3 4148 -10.640 -18.314 19.045 0.00 0.00 WT0 O +ATOM 6189 H1 TIP3 4148 -11.060 -18.614 18.245 0.00 0.00 WT0 H +ATOM 6190 H2 TIP3 4148 -10.700 -19.054 19.645 0.00 0.00 WT0 H +ATOM 6191 OH2 TIP3 4149 15.680 -16.032 -10.818 0.00 0.00 WT0 O +ATOM 6192 H1 TIP3 4149 16.500 -16.172 -11.278 0.00 0.00 WT0 H +ATOM 6193 H2 TIP3 4149 15.710 -15.112 -10.528 0.00 0.00 WT0 H +ATOM 6194 OH2 TIP3 4150 -2.157 18.359 5.324 0.00 0.00 WT0 O +ATOM 6195 H1 TIP3 4150 -1.297 18.179 4.934 0.00 0.00 WT0 H +ATOM 6196 H2 TIP3 4150 -2.407 17.539 5.754 0.00 0.00 WT0 H +ATOM 6197 OH2 TIP3 4151 -11.524 -13.705 -24.064 0.00 0.00 WT0 O +ATOM 6198 H1 TIP3 4151 -11.234 -13.465 -23.184 0.00 0.00 WT0 H +ATOM 6199 H2 TIP3 4151 -12.294 -14.255 -23.914 0.00 0.00 WT0 H +ATOM 6200 OH2 TIP3 4152 -8.912 19.553 -17.244 0.00 0.00 WT0 O +ATOM 6201 H1 TIP3 4152 -8.672 20.473 -17.344 0.00 0.00 WT0 H +ATOM 6202 H2 TIP3 4152 -8.092 19.113 -17.034 0.00 0.00 WT0 H +ATOM 6203 OH2 TIP3 4157 -1.084 -24.908 -19.652 0.00 0.00 WT0 O +ATOM 6204 H1 TIP3 4157 -0.914 -24.898 -18.712 0.00 0.00 WT0 H +ATOM 6205 H2 TIP3 4157 -2.034 -24.898 -19.722 0.00 0.00 WT0 H +ATOM 6206 OH2 TIP3 4158 -15.983 -7.773 15.912 0.00 0.00 WT0 O +ATOM 6207 H1 TIP3 4158 -16.143 -6.983 16.442 0.00 0.00 WT0 H +ATOM 6208 H2 TIP3 4158 -15.673 -7.433 15.072 0.00 0.00 WT0 H +ATOM 6209 OH2 TIP3 4159 -18.177 7.812 18.798 0.00 0.00 WT0 O +ATOM 6210 H1 TIP3 4159 -17.287 8.092 19.008 0.00 0.00 WT0 H +ATOM 6211 H2 TIP3 4159 -18.097 6.882 18.598 0.00 0.00 WT0 H +ATOM 6212 OH2 TIP3 4161 -5.152 -17.954 10.281 0.00 0.00 WT0 O +ATOM 6213 H1 TIP3 4161 -4.832 -17.154 10.711 0.00 0.00 WT0 H +ATOM 6214 H2 TIP3 4161 -4.362 -18.464 10.121 0.00 0.00 WT0 H +ATOM 6215 OH2 TIP3 4164 -11.435 -24.332 -8.991 0.00 0.00 WT0 O +ATOM 6216 H1 TIP3 4164 -11.005 -23.482 -9.041 0.00 0.00 WT0 H +ATOM 6217 H2 TIP3 4164 -10.805 -24.952 -9.351 0.00 0.00 WT0 H +ATOM 6218 OH2 TIP3 4166 19.625 18.889 3.645 0.00 0.00 WT0 O +ATOM 6219 H1 TIP3 4166 19.325 19.759 3.905 0.00 0.00 WT0 H +ATOM 6220 H2 TIP3 4166 19.705 18.939 2.685 0.00 0.00 WT0 H +ATOM 6221 OH2 TIP3 4168 -0.433 16.285 -22.263 0.00 0.00 WT0 O +ATOM 6222 H1 TIP3 4168 -0.923 16.045 -21.483 0.00 0.00 WT0 H +ATOM 6223 H2 TIP3 4168 -0.133 15.455 -22.633 0.00 0.00 WT0 H +ATOM 6224 OH2 TIP3 4170 -2.591 6.668 -0.134 0.00 0.00 WT0 O +ATOM 6225 H1 TIP3 4170 -2.821 5.748 -0.244 0.00 0.00 WT0 H +ATOM 6226 H2 TIP3 4170 -3.091 7.128 -0.804 0.00 0.00 WT0 H +ATOM 6227 OH2 TIP3 4171 -1.147 -7.917 16.676 0.00 0.00 WT0 O +ATOM 6228 H1 TIP3 4171 -1.117 -8.757 16.226 0.00 0.00 WT0 H +ATOM 6229 H2 TIP3 4171 -1.437 -7.287 16.016 0.00 0.00 WT0 H +ATOM 6230 OH2 TIP3 4172 5.911 10.704 -24.519 0.00 0.00 WT0 O +ATOM 6231 H1 TIP3 4172 5.441 10.144 -23.899 0.00 0.00 WT0 H +ATOM 6232 H2 TIP3 4172 5.281 10.864 -25.219 0.00 0.00 WT0 H +ATOM 6233 OH2 TIP3 4176 -5.420 3.807 -24.367 0.00 0.00 WT0 O +ATOM 6234 H1 TIP3 4176 -4.730 4.457 -24.237 0.00 0.00 WT0 H +ATOM 6235 H2 TIP3 4176 -6.110 4.277 -24.847 0.00 0.00 WT0 H +ATOM 6236 OH2 TIP3 4179 24.978 -21.693 16.359 0.00 0.00 WT0 O +ATOM 6237 H1 TIP3 4179 25.618 -21.063 16.699 0.00 0.00 WT0 H +ATOM 6238 H2 TIP3 4179 24.678 -21.313 15.529 0.00 0.00 WT0 H +ATOM 6239 OH2 TIP3 4181 16.560 -7.159 0.669 0.00 0.00 WT0 O +ATOM 6240 H1 TIP3 4181 16.170 -6.629 1.379 0.00 0.00 WT0 H +ATOM 6241 H2 TIP3 4181 16.100 -6.869 -0.121 0.00 0.00 WT0 H +ATOM 6242 OH2 TIP3 4182 -4.209 23.237 -0.585 0.00 0.00 WT0 O +ATOM 6243 H1 TIP3 4182 -5.129 23.307 -0.325 0.00 0.00 WT0 H +ATOM 6244 H2 TIP3 4182 -4.179 23.627 -1.455 0.00 0.00 WT0 H +ATOM 6245 OH2 TIP3 4183 -9.727 -15.998 2.997 0.00 0.00 WT0 O +ATOM 6246 H1 TIP3 4183 -10.477 -16.588 3.077 0.00 0.00 WT0 H +ATOM 6247 H2 TIP3 4183 -9.547 -15.958 2.057 0.00 0.00 WT0 H +ATOM 6248 OH2 TIP3 4184 4.525 3.702 -3.883 0.00 0.00 WT0 O +ATOM 6249 H1 TIP3 4184 4.235 2.802 -4.063 0.00 0.00 WT0 H +ATOM 6250 H2 TIP3 4184 4.085 3.932 -3.073 0.00 0.00 WT0 H +ATOM 6251 OH2 TIP3 4186 14.673 -14.011 -19.024 0.00 0.00 WT0 O +ATOM 6252 H1 TIP3 4186 15.023 -14.201 -18.154 0.00 0.00 WT0 H +ATOM 6253 H2 TIP3 4186 14.773 -13.071 -19.124 0.00 0.00 WT0 H +ATOM 6254 OH2 TIP3 4187 19.139 -3.809 0.439 0.00 0.00 WT0 O +ATOM 6255 H1 TIP3 4187 19.119 -4.249 1.289 0.00 0.00 WT0 H +ATOM 6256 H2 TIP3 4187 18.849 -4.469 -0.181 0.00 0.00 WT0 H +ATOM 6257 OH2 TIP3 4189 5.836 -25.324 -18.761 0.00 0.00 WT0 O +ATOM 6258 H1 TIP3 4189 5.586 -24.424 -18.521 0.00 0.00 WT0 H +ATOM 6259 H2 TIP3 4189 5.126 -25.634 -19.321 0.00 0.00 WT0 H +ATOM 6260 OH2 TIP3 4190 6.937 16.334 6.851 0.00 0.00 WT0 O +ATOM 6261 H1 TIP3 4190 6.147 16.754 6.521 0.00 0.00 WT0 H +ATOM 6262 H2 TIP3 4190 7.307 16.964 7.461 0.00 0.00 WT0 H +ATOM 6263 OH2 TIP3 4191 23.043 -18.571 12.763 0.00 0.00 WT0 O +ATOM 6264 H1 TIP3 4191 23.113 -19.431 13.173 0.00 0.00 WT0 H +ATOM 6265 H2 TIP3 4191 22.863 -18.761 11.843 0.00 0.00 WT0 H +ATOM 6266 OH2 TIP3 4192 0.113 -23.908 -0.567 0.00 0.00 WT0 O +ATOM 6267 H1 TIP3 4192 0.403 -23.668 0.313 0.00 0.00 WT0 H +ATOM 6268 H2 TIP3 4192 -0.817 -23.698 -0.577 0.00 0.00 WT0 H +ATOM 6269 OH2 TIP3 4194 -16.447 -21.836 -1.889 0.00 0.00 WT0 O +ATOM 6270 H1 TIP3 4194 -17.227 -22.376 -2.029 0.00 0.00 WT0 H +ATOM 6271 H2 TIP3 4194 -16.477 -21.186 -2.589 0.00 0.00 WT0 H +ATOM 6272 OH2 TIP3 4198 3.334 1.051 -15.855 0.00 0.00 WT0 O +ATOM 6273 H1 TIP3 4198 4.234 0.881 -16.125 0.00 0.00 WT0 H +ATOM 6274 H2 TIP3 4198 2.824 0.981 -16.655 0.00 0.00 WT0 H +ATOM 6275 OH2 TIP3 4200 7.331 -8.736 -3.932 0.00 0.00 WT0 O +ATOM 6276 H1 TIP3 4200 7.911 -8.316 -3.292 0.00 0.00 WT0 H +ATOM 6277 H2 TIP3 4200 6.551 -8.976 -3.422 0.00 0.00 WT0 H +ATOM 6278 OH2 TIP3 4201 12.857 -15.214 16.085 0.00 0.00 WT0 O +ATOM 6279 H1 TIP3 4201 13.567 -14.694 16.465 0.00 0.00 WT0 H +ATOM 6280 H2 TIP3 4201 12.837 -14.964 15.165 0.00 0.00 WT0 H +ATOM 6281 OH2 TIP3 4202 7.416 11.467 -13.184 0.00 0.00 WT0 O +ATOM 6282 H1 TIP3 4202 7.526 11.027 -14.024 0.00 0.00 WT0 H +ATOM 6283 H2 TIP3 4202 8.306 11.597 -12.864 0.00 0.00 WT0 H +ATOM 6284 OH2 TIP3 4205 -8.507 -11.934 17.969 0.00 0.00 WT0 O +ATOM 6285 H1 TIP3 4205 -8.527 -11.014 17.699 0.00 0.00 WT0 H +ATOM 6286 H2 TIP3 4205 -7.577 -12.164 17.979 0.00 0.00 WT0 H +ATOM 6287 OH2 TIP3 4206 -0.643 -25.221 -3.378 0.00 0.00 WT0 O +ATOM 6288 H1 TIP3 4206 -0.753 -24.291 -3.548 0.00 0.00 WT0 H +ATOM 6289 H2 TIP3 4206 0.107 -25.481 -3.908 0.00 0.00 WT0 H +ATOM 6290 OH2 TIP3 4207 13.527 -15.189 -1.848 0.00 0.00 WT0 O +ATOM 6291 H1 TIP3 4207 12.977 -14.739 -1.198 0.00 0.00 WT0 H +ATOM 6292 H2 TIP3 4207 13.207 -14.879 -2.688 0.00 0.00 WT0 H +ATOM 6293 OH2 TIP3 4208 -17.465 -21.965 -25.151 0.00 0.00 WT0 O +ATOM 6294 H1 TIP3 4208 -17.545 -22.895 -25.391 0.00 0.00 WT0 H +ATOM 6295 H2 TIP3 4208 -17.765 -21.935 -24.241 0.00 0.00 WT0 H +ATOM 6296 OH2 TIP3 4209 -10.482 6.830 -6.069 0.00 0.00 WT0 O +ATOM 6297 H1 TIP3 4209 -10.352 7.120 -6.969 0.00 0.00 WT0 H +ATOM 6298 H2 TIP3 4209 -10.212 5.910 -6.069 0.00 0.00 WT0 H +ATOM 6299 OH2 TIP3 4210 -13.534 -15.196 13.474 0.00 0.00 WT0 O +ATOM 6300 H1 TIP3 4210 -13.794 -15.446 12.594 0.00 0.00 WT0 H +ATOM 6301 H2 TIP3 4210 -13.464 -16.026 13.954 0.00 0.00 WT0 H +ATOM 6302 OH2 TIP3 4211 -17.910 4.655 -16.270 0.00 0.00 WT0 O +ATOM 6303 H1 TIP3 4211 -18.440 4.985 -17.000 0.00 0.00 WT0 H +ATOM 6304 H2 TIP3 4211 -17.980 3.705 -16.340 0.00 0.00 WT0 H +ATOM 6305 OH2 TIP3 4212 -10.676 13.599 16.364 0.00 0.00 WT0 O +ATOM 6306 H1 TIP3 4212 -10.246 12.849 16.774 0.00 0.00 WT0 H +ATOM 6307 H2 TIP3 4212 -10.176 14.349 16.674 0.00 0.00 WT0 H +ATOM 6308 OH2 TIP3 4213 -17.315 -0.302 20.523 0.00 0.00 WT0 O +ATOM 6309 H1 TIP3 4213 -16.685 0.188 21.053 0.00 0.00 WT0 H +ATOM 6310 H2 TIP3 4213 -17.525 0.278 19.803 0.00 0.00 WT0 H +ATOM 6311 OH2 TIP3 4215 -3.430 -21.924 -6.499 0.00 0.00 WT0 O +ATOM 6312 H1 TIP3 4215 -2.890 -22.084 -7.269 0.00 0.00 WT0 H +ATOM 6313 H2 TIP3 4215 -2.920 -22.284 -5.769 0.00 0.00 WT0 H +ATOM 6314 OH2 TIP3 4216 -19.922 -16.543 -9.413 0.00 0.00 WT0 O +ATOM 6315 H1 TIP3 4216 -20.612 -17.183 -9.623 0.00 0.00 WT0 H +ATOM 6316 H2 TIP3 4216 -19.612 -16.793 -8.543 0.00 0.00 WT0 H +ATOM 6317 OH2 TIP3 4218 23.214 20.249 -0.269 0.00 0.00 WT0 O +ATOM 6318 H1 TIP3 4218 23.004 20.429 -1.189 0.00 0.00 WT0 H +ATOM 6319 H2 TIP3 4218 22.804 20.969 0.211 0.00 0.00 WT0 H +ATOM 6320 OH2 TIP3 4219 -14.480 23.626 -7.628 0.00 0.00 WT0 O +ATOM 6321 H1 TIP3 4219 -13.560 23.836 -7.778 0.00 0.00 WT0 H +ATOM 6322 H2 TIP3 4219 -14.900 24.466 -7.458 0.00 0.00 WT0 H +ATOM 6323 OH2 TIP3 4224 8.980 17.175 -15.124 0.00 0.00 WT0 O +ATOM 6324 H1 TIP3 4224 9.410 17.455 -15.934 0.00 0.00 WT0 H +ATOM 6325 H2 TIP3 4224 9.200 17.855 -14.484 0.00 0.00 WT0 H +ATOM 6326 OH2 TIP3 4225 15.430 -21.795 -1.640 0.00 0.00 WT0 O +ATOM 6327 H1 TIP3 4225 15.420 -22.525 -1.020 0.00 0.00 WT0 H +ATOM 6328 H2 TIP3 4225 14.950 -21.095 -1.200 0.00 0.00 WT0 H +ATOM 6329 OH2 TIP3 4226 21.959 -7.126 9.647 0.00 0.00 WT0 O +ATOM 6330 H1 TIP3 4226 22.619 -7.686 9.247 0.00 0.00 WT0 H +ATOM 6331 H2 TIP3 4226 21.119 -7.506 9.387 0.00 0.00 WT0 H +ATOM 6332 OH2 TIP3 4227 -12.681 7.957 -13.991 0.00 0.00 WT0 O +ATOM 6333 H1 TIP3 4227 -12.821 7.507 -13.161 0.00 0.00 WT0 H +ATOM 6334 H2 TIP3 4227 -13.531 7.917 -14.431 0.00 0.00 WT0 H +ATOM 6335 OH2 TIP3 4228 -20.582 1.114 3.191 0.00 0.00 WT0 O +ATOM 6336 H1 TIP3 4228 -21.042 0.664 2.471 0.00 0.00 WT0 H +ATOM 6337 H2 TIP3 4228 -20.112 1.834 2.761 0.00 0.00 WT0 H +ATOM 6338 OH2 TIP3 4229 21.925 20.134 -9.974 0.00 0.00 WT0 O +ATOM 6339 H1 TIP3 4229 21.335 19.774 -10.644 0.00 0.00 WT0 H +ATOM 6340 H2 TIP3 4229 21.745 19.604 -9.194 0.00 0.00 WT0 H +ATOM 6341 OH2 TIP3 4230 -8.512 -10.956 20.554 0.00 0.00 WT0 O +ATOM 6342 H1 TIP3 4230 -8.932 -11.326 21.324 0.00 0.00 WT0 H +ATOM 6343 H2 TIP3 4230 -8.772 -11.536 19.834 0.00 0.00 WT0 H +ATOM 6344 OH2 TIP3 4232 -16.605 21.941 -22.344 0.00 0.00 WT0 O +ATOM 6345 H1 TIP3 4232 -17.155 21.751 -21.584 0.00 0.00 WT0 H +ATOM 6346 H2 TIP3 4232 -17.145 21.701 -23.094 0.00 0.00 WT0 H +ATOM 6347 OH2 TIP3 4233 -8.791 -2.446 -24.641 0.00 0.00 WT0 O +ATOM 6348 H1 TIP3 4233 -8.251 -3.116 -25.061 0.00 0.00 WT0 H +ATOM 6349 H2 TIP3 4233 -9.171 -1.966 -25.371 0.00 0.00 WT0 H +ATOM 6350 OH2 TIP3 4234 -15.435 -14.808 -20.445 0.00 0.00 WT0 O +ATOM 6351 H1 TIP3 4234 -15.115 -14.548 -19.575 0.00 0.00 WT0 H +ATOM 6352 H2 TIP3 4234 -16.265 -15.238 -20.265 0.00 0.00 WT0 H +ATOM 6353 OH2 TIP3 4235 5.412 -8.499 -21.544 0.00 0.00 WT0 O +ATOM 6354 H1 TIP3 4235 6.351 -8.639 -21.394 0.00 0.00 WT0 H +ATOM 6355 H2 TIP3 4235 5.051 -8.369 -20.664 0.00 0.00 WT0 H +ATOM 6356 OH2 TIP3 4236 -18.999 -13.262 6.046 0.00 0.00 WT0 O +ATOM 6357 H1 TIP3 4236 -18.349 -12.732 6.496 0.00 0.00 WT0 H +ATOM 6358 H2 TIP3 4236 -19.839 -12.862 6.276 0.00 0.00 WT0 H +ATOM 6359 OH2 TIP3 4238 21.963 13.601 -4.141 0.00 0.00 WT0 O +ATOM 6360 H1 TIP3 4238 22.493 12.911 -3.741 0.00 0.00 WT0 H +ATOM 6361 H2 TIP3 4238 21.263 13.761 -3.521 0.00 0.00 WT0 H +ATOM 6362 OH2 TIP3 4243 -4.032 -11.183 -15.098 0.00 0.00 WT0 O +ATOM 6363 H1 TIP3 4243 -3.972 -12.113 -14.898 0.00 0.00 WT0 H +ATOM 6364 H2 TIP3 4243 -4.342 -10.783 -14.288 0.00 0.00 WT0 H +ATOM 6365 OH2 TIP3 4245 -9.425 20.367 -5.568 0.00 0.00 WT0 O +ATOM 6366 H1 TIP3 4245 -10.125 20.947 -5.258 0.00 0.00 WT0 H +ATOM 6367 H2 TIP3 4245 -9.875 19.547 -5.788 0.00 0.00 WT0 H +ATOM 6368 OH2 TIP3 4247 0.701 -10.305 19.361 0.00 0.00 WT0 O +ATOM 6369 H1 TIP3 4247 1.201 -10.955 19.861 0.00 0.00 WT0 H +ATOM 6370 H2 TIP3 4247 0.741 -10.615 18.461 0.00 0.00 WT0 H +ATOM 6371 OH2 TIP3 4248 16.029 -0.866 -5.383 0.00 0.00 WT0 O +ATOM 6372 H1 TIP3 4248 15.369 -1.236 -5.963 0.00 0.00 WT0 H +ATOM 6373 H2 TIP3 4248 15.909 -1.336 -4.553 0.00 0.00 WT0 H +ATOM 6374 OH2 TIP3 4249 9.453 19.487 -13.924 0.00 0.00 WT0 O +ATOM 6375 H1 TIP3 4249 9.183 20.257 -13.434 0.00 0.00 WT0 H +ATOM 6376 H2 TIP3 4249 9.963 19.837 -14.664 0.00 0.00 WT0 H +ATOM 6377 OH2 TIP3 4251 -21.712 22.121 15.327 0.00 0.00 WT0 O +ATOM 6378 H1 TIP3 4251 -21.552 22.941 14.847 0.00 0.00 WT0 H +ATOM 6379 H2 TIP3 4251 -22.652 21.971 15.237 0.00 0.00 WT0 H +ATOM 6380 OH2 TIP3 4255 -13.957 -9.641 12.607 0.00 0.00 WT0 O +ATOM 6381 H1 TIP3 4255 -13.757 -10.221 13.337 0.00 0.00 WT0 H +ATOM 6382 H2 TIP3 4255 -14.907 -9.541 12.637 0.00 0.00 WT0 H +ATOM 6383 OH2 TIP3 4256 13.725 -17.900 -9.713 0.00 0.00 WT0 O +ATOM 6384 H1 TIP3 4256 13.495 -18.390 -10.503 0.00 0.00 WT0 H +ATOM 6385 H2 TIP3 4256 14.495 -17.390 -9.953 0.00 0.00 WT0 H +ATOM 6386 OH2 TIP3 4257 -22.096 2.798 -14.497 0.00 0.00 WT0 O +ATOM 6387 H1 TIP3 4257 -22.546 3.628 -14.327 0.00 0.00 WT0 H +ATOM 6388 H2 TIP3 4257 -22.766 2.128 -14.407 0.00 0.00 WT0 H +ATOM 6389 OH2 TIP3 4260 11.255 18.270 -0.691 0.00 0.00 WT0 O +ATOM 6390 H1 TIP3 4260 10.805 18.980 -0.231 0.00 0.00 WT0 H +ATOM 6391 H2 TIP3 4260 11.215 17.530 -0.091 0.00 0.00 WT0 H +ATOM 6392 OH2 TIP3 4262 15.368 -22.302 3.095 0.00 0.00 WT0 O +ATOM 6393 H1 TIP3 4262 14.568 -22.612 3.525 0.00 0.00 WT0 H +ATOM 6394 H2 TIP3 4262 15.908 -23.092 3.005 0.00 0.00 WT0 H +ATOM 6395 OH2 TIP3 4266 24.504 20.653 8.985 0.00 0.00 WT0 O +ATOM 6396 H1 TIP3 4266 25.374 20.373 8.715 0.00 0.00 WT0 H +ATOM 6397 H2 TIP3 4266 24.654 21.253 9.705 0.00 0.00 WT0 H +ATOM 6398 OH2 TIP3 4268 -6.475 4.195 -0.181 0.00 0.00 WT0 O +ATOM 6399 H1 TIP3 4268 -6.475 3.995 0.749 0.00 0.00 WT0 H +ATOM 6400 H2 TIP3 4268 -6.595 5.135 -0.231 0.00 0.00 WT0 H +ATOM 6401 OH2 TIP3 4270 -0.425 -14.561 8.657 0.00 0.00 WT0 O +ATOM 6402 H1 TIP3 4270 -0.255 -14.741 7.727 0.00 0.00 WT0 H +ATOM 6403 H2 TIP3 4270 -0.855 -13.711 8.657 0.00 0.00 WT0 H +ATOM 6404 OH2 TIP3 4271 -23.985 7.959 -23.731 0.00 0.00 WT0 O +ATOM 6405 H1 TIP3 4271 -23.185 7.539 -23.441 0.00 0.00 WT0 H +ATOM 6406 H2 TIP3 4271 -24.205 8.579 -23.031 0.00 0.00 WT0 H +ATOM 6407 OH2 TIP3 4272 8.491 1.160 -1.148 0.00 0.00 WT0 O +ATOM 6408 H1 TIP3 4272 8.791 1.610 -0.358 0.00 0.00 WT0 H +ATOM 6409 H2 TIP3 4272 9.291 0.840 -1.568 0.00 0.00 WT0 H +ATOM 6410 OH2 TIP3 4274 17.056 -2.257 19.159 0.00 0.00 WT0 O +ATOM 6411 H1 TIP3 4274 17.766 -2.107 18.539 0.00 0.00 WT0 H +ATOM 6412 H2 TIP3 4274 16.256 -2.077 18.659 0.00 0.00 WT0 H +ATOM 6413 OH2 TIP3 4277 -4.451 6.481 -15.914 0.00 0.00 WT0 O +ATOM 6414 H1 TIP3 4277 -4.591 5.721 -16.484 0.00 0.00 WT0 H +ATOM 6415 H2 TIP3 4277 -5.251 6.991 -16.004 0.00 0.00 WT0 H +ATOM 6416 OH2 TIP3 4278 5.856 3.088 6.220 0.00 0.00 WT0 O +ATOM 6417 H1 TIP3 4278 5.096 3.478 5.790 0.00 0.00 WT0 H +ATOM 6418 H2 TIP3 4278 5.696 2.148 6.190 0.00 0.00 WT0 H +ATOM 6419 OH2 TIP3 4282 -16.196 -15.870 9.725 0.00 0.00 WT0 O +ATOM 6420 H1 TIP3 4282 -16.606 -15.460 10.485 0.00 0.00 WT0 H +ATOM 6421 H2 TIP3 4282 -16.446 -16.790 9.785 0.00 0.00 WT0 H +ATOM 6422 OH2 TIP3 4283 -20.169 1.207 21.423 0.00 0.00 WT0 O +ATOM 6423 H1 TIP3 4283 -19.439 0.867 21.943 0.00 0.00 WT0 H +ATOM 6424 H2 TIP3 4283 -19.759 1.817 20.813 0.00 0.00 WT0 H +ATOM 6425 OH2 TIP3 4287 -14.826 2.672 7.131 0.00 0.00 WT0 O +ATOM 6426 H1 TIP3 4287 -14.256 3.182 6.551 0.00 0.00 WT0 H +ATOM 6427 H2 TIP3 4287 -14.286 1.932 7.401 0.00 0.00 WT0 H +ATOM 6428 OH2 TIP3 4288 12.781 4.797 -20.748 0.00 0.00 WT0 O +ATOM 6429 H1 TIP3 4288 11.931 4.767 -21.178 0.00 0.00 WT0 H +ATOM 6430 H2 TIP3 4288 13.261 5.477 -21.218 0.00 0.00 WT0 H +ATOM 6431 OH2 TIP3 4291 18.940 7.084 19.015 0.00 0.00 WT0 O +ATOM 6432 H1 TIP3 4291 18.440 6.874 19.805 0.00 0.00 WT0 H +ATOM 6433 H2 TIP3 4291 19.380 7.914 19.215 0.00 0.00 WT0 H +ATOM 6434 OH2 TIP3 4292 -14.606 -10.035 16.476 0.00 0.00 WT0 O +ATOM 6435 H1 TIP3 4292 -15.056 -9.215 16.246 0.00 0.00 WT0 H +ATOM 6436 H2 TIP3 4292 -14.916 -10.665 15.826 0.00 0.00 WT0 H +ATOM 6437 OH2 TIP3 4293 -11.701 -7.613 -11.268 0.00 0.00 WT0 O +ATOM 6438 H1 TIP3 4293 -11.831 -8.423 -11.768 0.00 0.00 WT0 H +ATOM 6439 H2 TIP3 4293 -11.821 -7.883 -10.348 0.00 0.00 WT0 H +ATOM 6440 OH2 TIP3 4294 7.488 -18.663 7.632 0.00 0.00 WT0 O +ATOM 6441 H1 TIP3 4294 8.108 -18.943 8.302 0.00 0.00 WT0 H +ATOM 6442 H2 TIP3 4294 7.038 -17.913 8.032 0.00 0.00 WT0 H +ATOM 6443 OH2 TIP3 4295 -5.742 -10.271 -5.188 0.00 0.00 WT0 O +ATOM 6444 H1 TIP3 4295 -4.912 -10.351 -5.648 0.00 0.00 WT0 H +ATOM 6445 H2 TIP3 4295 -5.632 -10.801 -4.398 0.00 0.00 WT0 H +ATOM 6446 OH2 TIP3 4296 16.265 -10.190 20.426 0.00 0.00 WT0 O +ATOM 6447 H1 TIP3 4296 15.535 -9.580 20.506 0.00 0.00 WT0 H +ATOM 6448 H2 TIP3 4296 16.135 -10.610 19.576 0.00 0.00 WT0 H +ATOM 6449 OH2 TIP3 4297 21.654 -9.747 -7.641 0.00 0.00 WT0 O +ATOM 6450 H1 TIP3 4297 21.114 -9.057 -8.021 0.00 0.00 WT0 H +ATOM 6451 H2 TIP3 4297 21.034 -10.457 -7.451 0.00 0.00 WT0 H +ATOM 6452 OH2 TIP3 4298 -18.446 -2.758 7.392 0.00 0.00 WT0 O +ATOM 6453 H1 TIP3 4298 -19.016 -2.248 7.972 0.00 0.00 WT0 H +ATOM 6454 H2 TIP3 4298 -18.026 -3.388 7.972 0.00 0.00 WT0 H +ATOM 6455 OH2 TIP3 4304 -13.840 19.671 2.076 0.00 0.00 WT0 O +ATOM 6456 H1 TIP3 4304 -13.810 20.221 1.296 0.00 0.00 WT0 H +ATOM 6457 H2 TIP3 4304 -14.440 18.961 1.836 0.00 0.00 WT0 H +ATOM 6458 OH2 TIP3 4306 14.241 13.917 19.431 0.00 0.00 WT0 O +ATOM 6459 H1 TIP3 4306 14.191 14.207 18.511 0.00 0.00 WT0 H +ATOM 6460 H2 TIP3 4306 14.861 13.187 19.411 0.00 0.00 WT0 H +ATOM 6461 OH2 TIP3 4307 17.586 -2.131 -1.226 0.00 0.00 WT0 O +ATOM 6462 H1 TIP3 4307 18.126 -2.721 -0.696 0.00 0.00 WT0 H +ATOM 6463 H2 TIP3 4307 17.106 -2.711 -1.816 0.00 0.00 WT0 H +ATOM 6464 OH2 TIP3 4311 20.793 6.015 -15.154 0.00 0.00 WT0 O +ATOM 6465 H1 TIP3 4311 20.183 6.755 -15.124 0.00 0.00 WT0 H +ATOM 6466 H2 TIP3 4311 20.283 5.295 -15.534 0.00 0.00 WT0 H +ATOM 6467 OH2 TIP3 4313 -10.245 21.730 12.435 0.00 0.00 WT0 O +ATOM 6468 H1 TIP3 4313 -10.905 21.290 12.965 0.00 0.00 WT0 H +ATOM 6469 H2 TIP3 4313 -10.755 22.250 11.805 0.00 0.00 WT0 H +ATOM 6470 OH2 TIP3 4319 16.828 -13.268 5.257 0.00 0.00 WT0 O +ATOM 6471 H1 TIP3 4319 16.688 -13.988 5.857 0.00 0.00 WT0 H +ATOM 6472 H2 TIP3 4319 17.308 -13.648 4.527 0.00 0.00 WT0 H +ATOM 6473 OH2 TIP3 4321 -4.564 5.122 -19.930 0.00 0.00 WT0 O +ATOM 6474 H1 TIP3 4321 -3.814 5.592 -20.280 0.00 0.00 WT0 H +ATOM 6475 H2 TIP3 4321 -4.444 4.212 -20.220 0.00 0.00 WT0 H +ATOM 6476 OH2 TIP3 4328 -22.423 12.885 15.736 0.00 0.00 WT0 O +ATOM 6477 H1 TIP3 4328 -22.963 12.335 15.166 0.00 0.00 WT0 H +ATOM 6478 H2 TIP3 4328 -22.983 13.635 15.946 0.00 0.00 WT0 H +ATOM 6479 OH2 TIP3 4336 -9.032 -19.992 11.033 0.00 0.00 WT0 O +ATOM 6480 H1 TIP3 4336 -8.482 -20.742 11.213 0.00 0.00 WT0 H +ATOM 6481 H2 TIP3 4336 -8.912 -19.412 11.783 0.00 0.00 WT0 H +ATOM 6482 OH2 TIP3 4337 -16.252 -20.378 -21.618 0.00 0.00 WT0 O +ATOM 6483 H1 TIP3 4337 -16.772 -21.108 -21.938 0.00 0.00 WT0 H +ATOM 6484 H2 TIP3 4337 -16.892 -19.718 -21.368 0.00 0.00 WT0 H +ATOM 6485 OH2 TIP3 4339 -4.194 23.464 -19.804 0.00 0.00 WT0 O +ATOM 6486 H1 TIP3 4339 -3.314 23.264 -19.494 0.00 0.00 WT0 H +ATOM 6487 H2 TIP3 4339 -4.124 23.444 -20.754 0.00 0.00 WT0 H +ATOM 6488 OH2 TIP3 4340 13.069 -19.689 -6.928 0.00 0.00 WT0 O +ATOM 6489 H1 TIP3 4340 13.849 -20.059 -7.338 0.00 0.00 WT0 H +ATOM 6490 H2 TIP3 4340 13.099 -18.759 -7.128 0.00 0.00 WT0 H +ATOM 6491 OH2 TIP3 4354 19.536 -21.137 -3.970 0.00 0.00 WT0 O +ATOM 6492 H1 TIP3 4354 18.736 -20.607 -4.000 0.00 0.00 WT0 H +ATOM 6493 H2 TIP3 4354 19.556 -21.477 -3.070 0.00 0.00 WT0 H +ATOM 6494 OH2 TIP3 4356 -8.209 5.633 -17.173 0.00 0.00 WT0 O +ATOM 6495 H1 TIP3 4356 -8.469 5.743 -16.253 0.00 0.00 WT0 H +ATOM 6496 H2 TIP3 4356 -7.259 5.713 -17.163 0.00 0.00 WT0 H +ATOM 6497 OH2 TIP3 4361 24.708 18.191 12.419 0.00 0.00 WT0 O +ATOM 6498 H1 TIP3 4361 23.848 18.531 12.649 0.00 0.00 WT0 H +ATOM 6499 H2 TIP3 4361 24.618 17.901 11.519 0.00 0.00 WT0 H +ATOM 6500 OH2 TIP3 4374 -25.100 14.751 -4.732 0.00 0.00 WT0 O +ATOM 6501 H1 TIP3 4374 -24.900 14.831 -3.802 0.00 0.00 WT0 H +ATOM 6502 H2 TIP3 4374 -24.260 14.881 -5.172 0.00 0.00 WT0 H +ATOM 6503 OH2 TIP3 4379 -20.512 4.065 14.892 0.00 0.00 WT0 O +ATOM 6504 H1 TIP3 4379 -21.232 3.685 15.382 0.00 0.00 WT0 H +ATOM 6505 H2 TIP3 4379 -20.222 3.355 14.302 0.00 0.00 WT0 H +ATOM 6506 OH2 TIP3 4380 -14.645 -15.791 22.662 0.00 0.00 WT0 O +ATOM 6507 H1 TIP3 4380 -14.015 -16.501 22.752 0.00 0.00 WT0 H +ATOM 6508 H2 TIP3 4380 -14.115 -15.001 22.542 0.00 0.00 WT0 H +ATOM 6509 OH2 TIP3 4382 -17.597 -16.200 -19.236 0.00 0.00 WT0 O +ATOM 6510 H1 TIP3 4382 -17.277 -16.830 -18.586 0.00 0.00 WT0 H +ATOM 6511 H2 TIP3 4382 -18.277 -16.670 -19.706 0.00 0.00 WT0 H +ATOM 6512 OH2 TIP3 4394 3.464 -6.378 11.493 0.00 0.00 WT0 O +ATOM 6513 H1 TIP3 4394 3.014 -7.208 11.663 0.00 0.00 WT0 H +ATOM 6514 H2 TIP3 4394 2.844 -5.858 10.983 0.00 0.00 WT0 H +ATOM 6515 OH2 TIP3 4396 -3.803 -25.055 -3.093 0.00 0.00 WT0 O +ATOM 6516 H1 TIP3 4396 -4.083 -24.135 -3.163 0.00 0.00 WT0 H +ATOM 6517 H2 TIP3 4396 -2.903 -25.065 -3.413 0.00 0.00 WT0 H +ATOM 6518 OH2 TIP3 4401 -21.714 -14.753 6.137 0.00 0.00 WT0 O +ATOM 6519 H1 TIP3 4401 -20.994 -15.183 6.617 0.00 0.00 WT0 H +ATOM 6520 H2 TIP3 4401 -21.744 -13.873 6.507 0.00 0.00 WT0 H +ATOM 6521 OH2 TIP3 4404 13.768 -17.205 -18.897 0.00 0.00 WT0 O +ATOM 6522 H1 TIP3 4404 14.478 -16.575 -19.057 0.00 0.00 WT0 H +ATOM 6523 H2 TIP3 4404 13.148 -16.735 -18.337 0.00 0.00 WT0 H +ATOM 6524 OH2 TIP3 4407 11.825 22.335 -24.261 0.00 0.00 WT0 O +ATOM 6525 H1 TIP3 4407 12.535 22.445 -24.901 0.00 0.00 WT0 H +ATOM 6526 H2 TIP3 4407 11.955 23.055 -23.641 0.00 0.00 WT0 H +ATOM 6527 OH2 TIP3 4414 9.655 -12.296 8.091 0.00 0.00 WT0 O +ATOM 6528 H1 TIP3 4414 10.035 -11.926 8.891 0.00 0.00 WT0 H +ATOM 6529 H2 TIP3 4414 10.235 -13.016 7.861 0.00 0.00 WT0 H +ATOM 6530 OH2 TIP3 4415 -24.725 -8.508 2.969 0.00 0.00 WT0 O +ATOM 6531 H1 TIP3 4415 -23.925 -8.188 2.559 0.00 0.00 WT0 H +ATOM 6532 H2 TIP3 4415 -24.665 -9.458 2.909 0.00 0.00 WT0 H +ATOM 6533 OH2 TIP3 4419 16.804 2.364 7.602 0.00 0.00 WT0 O +ATOM 6534 H1 TIP3 4419 17.714 2.564 7.802 0.00 0.00 WT0 H +ATOM 6535 H2 TIP3 4419 16.574 1.654 8.212 0.00 0.00 WT0 H +ATOM 6536 OH2 TIP3 4421 5.883 -15.513 18.875 0.00 0.00 WT0 O +ATOM 6537 H1 TIP3 4421 6.293 -15.993 18.155 0.00 0.00 WT0 H +ATOM 6538 H2 TIP3 4421 5.483 -14.753 18.455 0.00 0.00 WT0 H +ATOM 6539 OH2 TIP3 4422 -9.734 -4.871 -0.845 0.00 0.00 WT0 O +ATOM 6540 H1 TIP3 4422 -9.654 -5.641 -0.285 0.00 0.00 WT0 H +ATOM 6541 H2 TIP3 4422 -10.064 -4.181 -0.265 0.00 0.00 WT0 H +ATOM 6542 OH2 TIP3 4432 -11.469 22.964 9.639 0.00 0.00 WT0 O +ATOM 6543 H1 TIP3 4432 -11.489 23.914 9.799 0.00 0.00 WT0 H +ATOM 6544 H2 TIP3 4432 -10.549 22.774 9.449 0.00 0.00 WT0 H +ATOM 6545 OH2 TIP3 4434 7.346 -14.576 -21.139 0.00 0.00 WT0 O +ATOM 6546 H1 TIP3 4434 6.926 -14.106 -21.869 0.00 0.00 WT0 H +ATOM 6547 H2 TIP3 4434 7.046 -14.106 -20.359 0.00 0.00 WT0 H +ATOM 6548 OH2 TIP3 4437 -16.262 6.192 -13.638 0.00 0.00 WT0 O +ATOM 6549 H1 TIP3 4437 -16.272 7.072 -13.258 0.00 0.00 WT0 H +ATOM 6550 H2 TIP3 4437 -16.902 6.242 -14.348 0.00 0.00 WT0 H +ATOM 6551 OH2 TIP3 4441 -0.954 -0.389 -22.297 0.00 0.00 WT0 O +ATOM 6552 H1 TIP3 4441 -0.104 -0.019 -22.547 0.00 0.00 WT0 H +ATOM 6553 H2 TIP3 4441 -1.384 -0.579 -23.137 0.00 0.00 WT0 H +ATOM 6554 OH2 TIP3 4442 24.448 -3.617 24.849 0.00 0.00 WT0 O +ATOM 6555 H1 TIP3 4442 25.018 -2.897 24.549 0.00 0.00 WT0 H +ATOM 6556 H2 TIP3 4442 24.338 -3.447 25.789 0.00 0.00 WT0 H +ATOM 6557 OH2 TIP3 4443 -21.069 -13.686 -24.521 0.00 0.00 WT0 O +ATOM 6558 H1 TIP3 4443 -20.229 -13.366 -24.841 0.00 0.00 WT0 H +ATOM 6559 H2 TIP3 4443 -21.689 -12.986 -24.731 0.00 0.00 WT0 H +ATOM 6560 OH2 TIP3 4446 -0.127 -3.253 19.552 0.00 0.00 WT0 O +ATOM 6561 H1 TIP3 4446 -0.267 -3.903 20.242 0.00 0.00 WT0 H +ATOM 6562 H2 TIP3 4446 0.283 -3.733 18.842 0.00 0.00 WT0 H +ATOM 6563 OH2 TIP3 4451 -2.994 19.380 -15.920 0.00 0.00 WT0 O +ATOM 6564 H1 TIP3 4451 -3.834 19.470 -15.470 0.00 0.00 WT0 H +ATOM 6565 H2 TIP3 4451 -3.134 19.810 -16.760 0.00 0.00 WT0 H +ATOM 6566 OH2 TIP3 4453 -4.452 9.005 -8.837 0.00 0.00 WT0 O +ATOM 6567 H1 TIP3 4453 -5.162 8.385 -8.657 0.00 0.00 WT0 H +ATOM 6568 H2 TIP3 4453 -3.982 8.605 -9.577 0.00 0.00 WT0 H +ATOM 6569 OH2 TIP3 4455 -22.029 3.192 -7.721 0.00 0.00 WT0 O +ATOM 6570 H1 TIP3 4455 -21.929 3.622 -6.871 0.00 0.00 WT0 H +ATOM 6571 H2 TIP3 4455 -22.339 2.312 -7.521 0.00 0.00 WT0 H +ATOM 6572 OH2 TIP3 4456 15.388 20.645 11.647 0.00 0.00 WT0 O +ATOM 6573 H1 TIP3 4456 15.498 21.595 11.587 0.00 0.00 WT0 H +ATOM 6574 H2 TIP3 4456 15.228 20.365 10.747 0.00 0.00 WT0 H +ATOM 6575 OH2 TIP3 4457 3.299 21.932 -17.878 0.00 0.00 WT0 O +ATOM 6576 H1 TIP3 4457 2.719 21.222 -18.168 0.00 0.00 WT0 H +ATOM 6577 H2 TIP3 4457 3.069 22.672 -18.438 0.00 0.00 WT0 H +ATOM 6578 OH2 TIP3 4459 -3.140 -20.318 20.269 0.00 0.00 WT0 O +ATOM 6579 H1 TIP3 4459 -3.180 -21.258 20.449 0.00 0.00 WT0 H +ATOM 6580 H2 TIP3 4459 -3.860 -20.158 19.649 0.00 0.00 WT0 H +ATOM 6581 OH2 TIP3 4460 12.124 15.739 18.248 0.00 0.00 WT0 O +ATOM 6582 H1 TIP3 4460 12.994 15.849 18.648 0.00 0.00 WT0 H +ATOM 6583 H2 TIP3 4460 12.254 16.019 17.338 0.00 0.00 WT0 H +ATOM 6584 OH2 TIP3 4461 -4.209 8.296 4.215 0.00 0.00 WT0 O +ATOM 6585 H1 TIP3 4461 -4.759 7.866 3.565 0.00 0.00 WT0 H +ATOM 6586 H2 TIP3 4461 -3.419 7.746 4.255 0.00 0.00 WT0 H +ATOM 6587 OH2 TIP3 4462 -1.327 -11.223 -13.205 0.00 0.00 WT0 O +ATOM 6588 H1 TIP3 4462 -1.307 -11.033 -14.145 0.00 0.00 WT0 H +ATOM 6589 H2 TIP3 4462 -0.407 -11.243 -12.945 0.00 0.00 WT0 H +ATOM 6590 OH2 TIP3 4463 3.925 -13.705 15.171 0.00 0.00 WT0 O +ATOM 6591 H1 TIP3 4463 3.595 -13.035 14.571 0.00 0.00 WT0 H +ATOM 6592 H2 TIP3 4463 3.665 -14.535 14.771 0.00 0.00 WT0 H +ATOM 6593 OH2 TIP3 4465 -17.735 -3.132 -3.647 0.00 0.00 WT0 O +ATOM 6594 H1 TIP3 4465 -17.125 -3.082 -2.907 0.00 0.00 WT0 H +ATOM 6595 H2 TIP3 4465 -18.145 -3.992 -3.567 0.00 0.00 WT0 H +ATOM 6596 OH2 TIP3 4466 -10.363 -5.447 -24.155 0.00 0.00 WT0 O +ATOM 6597 H1 TIP3 4466 -11.133 -5.777 -23.685 0.00 0.00 WT0 H +ATOM 6598 H2 TIP3 4466 -9.753 -5.177 -23.465 0.00 0.00 WT0 H +ATOM 6599 OH2 TIP3 4469 23.255 -16.857 9.109 0.00 0.00 WT0 O +ATOM 6600 H1 TIP3 4469 23.725 -16.707 9.919 0.00 0.00 WT0 H +ATOM 6601 H2 TIP3 4469 22.865 -16.017 8.889 0.00 0.00 WT0 H +ATOM 6602 OH2 TIP3 4470 1.334 4.603 -11.569 0.00 0.00 WT0 O +ATOM 6603 H1 TIP3 4470 0.534 4.903 -11.999 0.00 0.00 WT0 H +ATOM 6604 H2 TIP3 4470 1.484 3.733 -11.929 0.00 0.00 WT0 H +ATOM 6605 OH2 TIP3 4473 -23.067 7.315 8.449 0.00 0.00 WT0 O +ATOM 6606 H1 TIP3 4473 -23.977 7.445 8.209 0.00 0.00 WT0 H +ATOM 6607 H2 TIP3 4473 -22.607 8.085 8.089 0.00 0.00 WT0 H +ATOM 6608 OH2 TIP3 4474 25.072 15.868 -15.451 0.00 0.00 WT0 O +ATOM 6609 H1 TIP3 4474 24.831 15.988 -16.361 0.00 0.00 WT0 H +ATOM 6610 H2 TIP3 4474 25.751 16.518 -15.291 0.00 0.00 WT0 H +ATOM 6611 OH2 TIP3 4477 -7.937 18.188 1.606 0.00 0.00 WT0 O +ATOM 6612 H1 TIP3 4477 -8.217 18.848 0.966 0.00 0.00 WT0 H +ATOM 6613 H2 TIP3 4477 -7.047 18.448 1.846 0.00 0.00 WT0 H +ATOM 6614 OH2 TIP3 4478 20.224 -21.851 -1.424 0.00 0.00 WT0 O +ATOM 6615 H1 TIP3 4478 20.944 -22.421 -1.694 0.00 0.00 WT0 H +ATOM 6616 H2 TIP3 4478 20.524 -21.451 -0.614 0.00 0.00 WT0 H +ATOM 6617 OH2 TIP3 4479 4.313 17.998 15.505 0.00 0.00 WT0 O +ATOM 6618 H1 TIP3 4479 3.383 18.188 15.615 0.00 0.00 WT0 H +ATOM 6619 H2 TIP3 4479 4.753 18.838 15.635 0.00 0.00 WT0 H +ATOM 6620 OH2 TIP3 4482 -9.406 12.268 -5.521 0.00 0.00 WT0 O +ATOM 6621 H1 TIP3 4482 -10.106 12.798 -5.151 0.00 0.00 WT0 H +ATOM 6622 H2 TIP3 4482 -8.636 12.508 -5.011 0.00 0.00 WT0 H +ATOM 6623 OH2 TIP3 4483 -20.303 -8.659 -13.311 0.00 0.00 WT0 O +ATOM 6624 H1 TIP3 4483 -20.723 -9.199 -12.651 0.00 0.00 WT0 H +ATOM 6625 H2 TIP3 4483 -19.613 -8.189 -12.831 0.00 0.00 WT0 H +ATOM 6626 OH2 TIP3 4485 1.144 -3.019 -24.389 0.00 0.00 WT0 O +ATOM 6627 H1 TIP3 4485 1.684 -2.419 -24.899 0.00 0.00 WT0 H +ATOM 6628 H2 TIP3 4485 1.484 -3.889 -24.599 0.00 0.00 WT0 H +ATOM 6629 OH2 TIP3 4494 -10.910 -10.127 2.544 0.00 0.00 WT0 O +ATOM 6630 H1 TIP3 4494 -11.030 -10.317 1.614 0.00 0.00 WT0 H +ATOM 6631 H2 TIP3 4494 -11.390 -10.827 2.994 0.00 0.00 WT0 H +ATOM 6632 OH2 TIP3 4496 2.626 6.325 5.367 0.00 0.00 WT0 O +ATOM 6633 H1 TIP3 4496 2.196 5.565 5.747 0.00 0.00 WT0 H +ATOM 6634 H2 TIP3 4496 2.976 6.805 6.117 0.00 0.00 WT0 H +ATOM 6635 OH2 TIP3 4497 -8.803 -8.149 -6.571 0.00 0.00 WT0 O +ATOM 6636 H1 TIP3 4497 -8.483 -8.289 -5.681 0.00 0.00 WT0 H +ATOM 6637 H2 TIP3 4497 -9.513 -8.779 -6.671 0.00 0.00 WT0 H +ATOM 6638 OH2 TIP3 4498 -14.746 -1.406 -19.488 0.00 0.00 WT0 O +ATOM 6639 H1 TIP3 4498 -15.676 -1.236 -19.348 0.00 0.00 WT0 H +ATOM 6640 H2 TIP3 4498 -14.656 -2.346 -19.338 0.00 0.00 WT0 H +ATOM 6641 OH2 TIP3 4500 15.353 22.920 -20.899 0.00 0.00 WT0 O +ATOM 6642 H1 TIP3 4500 15.983 23.630 -20.989 0.00 0.00 WT0 H +ATOM 6643 H2 TIP3 4500 14.643 23.150 -21.499 0.00 0.00 WT0 H +ATOM 6644 OH2 TIP3 4501 -4.671 2.890 -5.240 0.00 0.00 WT0 O +ATOM 6645 H1 TIP3 4501 -4.311 2.770 -6.120 0.00 0.00 WT0 H +ATOM 6646 H2 TIP3 4501 -4.181 3.620 -4.870 0.00 0.00 WT0 H +ATOM 6647 OH2 TIP3 4502 5.593 1.833 0.687 0.00 0.00 WT0 O +ATOM 6648 H1 TIP3 4502 5.533 2.793 0.627 0.00 0.00 WT0 H +ATOM 6649 H2 TIP3 4502 5.583 1.533 -0.223 0.00 0.00 WT0 H +ATOM 6650 OH2 TIP3 4504 -9.550 18.773 5.009 0.00 0.00 WT0 O +ATOM 6651 H1 TIP3 4504 -8.960 18.413 4.359 0.00 0.00 WT0 H +ATOM 6652 H2 TIP3 4504 -9.680 18.063 5.639 0.00 0.00 WT0 H +ATOM 6653 OH2 TIP3 4505 -8.565 -18.457 -15.151 0.00 0.00 WT0 O +ATOM 6654 H1 TIP3 4505 -8.305 -19.377 -15.211 0.00 0.00 WT0 H +ATOM 6655 H2 TIP3 4505 -9.315 -18.457 -14.551 0.00 0.00 WT0 H +ATOM 6656 OH2 TIP3 4506 -3.647 19.751 10.132 0.00 0.00 WT0 O +ATOM 6657 H1 TIP3 4506 -3.437 20.431 10.772 0.00 0.00 WT0 H +ATOM 6658 H2 TIP3 4506 -3.357 20.111 9.302 0.00 0.00 WT0 H +ATOM 6659 OH2 TIP3 4507 13.599 0.209 -13.008 0.00 0.00 WT0 O +ATOM 6660 H1 TIP3 4507 13.349 0.799 -13.718 0.00 0.00 WT0 H +ATOM 6661 H2 TIP3 4507 13.409 0.699 -12.208 0.00 0.00 WT0 H +ATOM 6662 OH2 TIP3 4508 14.141 10.836 -19.432 0.00 0.00 WT0 O +ATOM 6663 H1 TIP3 4508 14.441 11.636 -19.852 0.00 0.00 WT0 H +ATOM 6664 H2 TIP3 4508 14.941 10.436 -19.082 0.00 0.00 WT0 H +ATOM 6665 OH2 TIP3 4509 16.990 -21.587 19.574 0.00 0.00 WT0 O +ATOM 6666 H1 TIP3 4509 16.180 -22.037 19.814 0.00 0.00 WT0 H +ATOM 6667 H2 TIP3 4509 17.500 -22.247 19.094 0.00 0.00 WT0 H +ATOM 6668 OH2 TIP3 4513 18.524 -23.566 2.966 0.00 0.00 WT0 O +ATOM 6669 H1 TIP3 4513 17.824 -23.066 2.566 0.00 0.00 WT0 H +ATOM 6670 H2 TIP3 4513 19.224 -22.936 3.106 0.00 0.00 WT0 H +ATOM 6671 OH2 TIP3 4515 -4.126 -22.763 5.041 0.00 0.00 WT0 O +ATOM 6672 H1 TIP3 4515 -3.746 -23.613 4.841 0.00 0.00 WT0 H +ATOM 6673 H2 TIP3 4515 -4.946 -22.953 5.501 0.00 0.00 WT0 H +ATOM 6674 OH2 TIP3 4516 17.104 11.505 22.811 0.00 0.00 WT0 O +ATOM 6675 H1 TIP3 4516 16.484 11.245 22.131 0.00 0.00 WT0 H +ATOM 6676 H2 TIP3 4516 17.864 11.825 22.341 0.00 0.00 WT0 H +ATOM 6677 OH2 TIP3 4517 14.784 -14.138 9.765 0.00 0.00 WT0 O +ATOM 6678 H1 TIP3 4517 13.994 -13.628 9.605 0.00 0.00 WT0 H +ATOM 6679 H2 TIP3 4517 15.434 -13.488 10.035 0.00 0.00 WT0 H +ATOM 6680 OH2 TIP3 4518 0.463 17.782 5.155 0.00 0.00 WT0 O +ATOM 6681 H1 TIP3 4518 1.023 17.262 5.745 0.00 0.00 WT0 H +ATOM 6682 H2 TIP3 4518 0.853 18.652 5.175 0.00 0.00 WT0 H +ATOM 6683 OH2 TIP3 4519 -2.555 7.348 13.973 0.00 0.00 WT0 O +ATOM 6684 H1 TIP3 4519 -1.625 7.558 13.973 0.00 0.00 WT0 H +ATOM 6685 H2 TIP3 4519 -2.985 8.098 13.563 0.00 0.00 WT0 H +ATOM 6686 OH2 TIP3 4520 15.086 -20.911 5.785 0.00 0.00 WT0 O +ATOM 6687 H1 TIP3 4520 15.106 -20.031 5.405 0.00 0.00 WT0 H +ATOM 6688 H2 TIP3 4520 14.986 -21.501 5.045 0.00 0.00 WT0 H +ATOM 6689 OH2 TIP3 4522 -19.724 21.256 17.332 0.00 0.00 WT0 O +ATOM 6690 H1 TIP3 4522 -20.194 21.476 16.532 0.00 0.00 WT0 H +ATOM 6691 H2 TIP3 4522 -18.834 21.566 17.172 0.00 0.00 WT0 H +ATOM 6692 OH2 TIP3 4523 -7.921 13.313 22.747 0.00 0.00 WT0 O +ATOM 6693 H1 TIP3 4523 -7.791 12.803 23.547 0.00 0.00 WT0 H +ATOM 6694 H2 TIP3 4523 -7.041 13.423 22.387 0.00 0.00 WT0 H +ATOM 6695 OH2 TIP3 4525 -16.104 17.229 -12.092 0.00 0.00 WT0 O +ATOM 6696 H1 TIP3 4525 -16.534 18.009 -11.752 0.00 0.00 WT0 H +ATOM 6697 H2 TIP3 4525 -16.574 17.039 -12.902 0.00 0.00 WT0 H +ATOM 6698 OH2 TIP3 4526 20.133 22.409 10.690 0.00 0.00 WT0 O +ATOM 6699 H1 TIP3 4526 19.783 23.249 10.990 0.00 0.00 WT0 H +ATOM 6700 H2 TIP3 4526 21.083 22.499 10.790 0.00 0.00 WT0 H +ATOM 6701 OH2 TIP3 4527 -12.436 -12.135 -4.072 0.00 0.00 WT0 O +ATOM 6702 H1 TIP3 4527 -13.126 -11.535 -3.812 0.00 0.00 WT0 H +ATOM 6703 H2 TIP3 4527 -12.776 -13.005 -3.852 0.00 0.00 WT0 H +ATOM 6704 OH2 TIP3 4528 13.215 17.173 -22.885 0.00 0.00 WT0 O +ATOM 6705 H1 TIP3 4528 13.705 16.353 -22.945 0.00 0.00 WT0 H +ATOM 6706 H2 TIP3 4528 12.935 17.353 -23.775 0.00 0.00 WT0 H +ATOM 6707 OH2 TIP3 4529 14.759 20.487 -3.674 0.00 0.00 WT0 O +ATOM 6708 H1 TIP3 4529 14.899 20.547 -2.724 0.00 0.00 WT0 H +ATOM 6709 H2 TIP3 4529 15.529 20.017 -3.994 0.00 0.00 WT0 H +ATOM 6710 OH2 TIP3 4531 -2.177 20.875 4.258 0.00 0.00 WT0 O +ATOM 6711 H1 TIP3 4531 -2.057 19.955 4.498 0.00 0.00 WT0 H +ATOM 6712 H2 TIP3 4531 -3.067 21.085 4.528 0.00 0.00 WT0 H +ATOM 6713 OH2 TIP3 4532 18.854 -20.660 8.969 0.00 0.00 WT0 O +ATOM 6714 H1 TIP3 4532 19.654 -20.280 8.609 0.00 0.00 WT0 H +ATOM 6715 H2 TIP3 4532 18.144 -20.270 8.469 0.00 0.00 WT0 H +ATOM 6716 OH2 TIP3 4536 -9.903 17.525 -24.248 0.00 0.00 WT0 O +ATOM 6717 H1 TIP3 4536 -10.663 17.635 -24.818 0.00 0.00 WT0 H +ATOM 6718 H2 TIP3 4536 -10.073 18.095 -23.498 0.00 0.00 WT0 H +ATOM 6719 OH2 TIP3 4537 -2.515 2.640 -3.693 0.00 0.00 WT0 O +ATOM 6720 H1 TIP3 4537 -2.245 3.520 -3.963 0.00 0.00 WT0 H +ATOM 6721 H2 TIP3 4537 -2.135 2.060 -4.363 0.00 0.00 WT0 H +ATOM 6722 OH2 TIP3 4538 -9.761 -12.788 22.859 0.00 0.00 WT0 O +ATOM 6723 H1 TIP3 4538 -9.861 -13.528 22.269 0.00 0.00 WT0 H +ATOM 6724 H2 TIP3 4538 -10.601 -12.328 22.819 0.00 0.00 WT0 H +ATOM 6725 OH2 TIP3 4540 10.548 -15.612 17.138 0.00 0.00 WT0 O +ATOM 6726 H1 TIP3 4540 10.718 -14.692 17.328 0.00 0.00 WT0 H +ATOM 6727 H2 TIP3 4540 11.068 -15.792 16.348 0.00 0.00 WT0 H +ATOM 6728 OH2 TIP3 4541 -10.967 24.661 23.467 0.00 0.00 WT0 O +ATOM 6729 H1 TIP3 4541 -11.477 24.381 24.227 0.00 0.00 WT0 H +ATOM 6730 H2 TIP3 4541 -11.147 25.601 23.397 0.00 0.00 WT0 H +ATOM 6731 OH2 TIP3 4543 0.132 21.412 -2.395 0.00 0.00 WT0 O +ATOM 6732 H1 TIP3 4543 0.111 22.182 -1.835 0.00 0.00 WT0 H +ATOM 6733 H2 TIP3 4543 0.132 21.762 -3.285 0.00 0.00 WT0 H +ATOM 6734 OH2 TIP3 4544 -7.577 14.892 -18.772 0.00 0.00 WT0 O +ATOM 6735 H1 TIP3 4544 -7.607 13.992 -18.462 0.00 0.00 WT0 H +ATOM 6736 H2 TIP3 4544 -7.877 14.842 -19.682 0.00 0.00 WT0 H +ATOM 6737 OH2 TIP3 4545 13.873 15.298 23.119 0.00 0.00 WT0 O +ATOM 6738 H1 TIP3 4545 14.303 16.088 23.429 0.00 0.00 WT0 H +ATOM 6739 H2 TIP3 4545 14.173 14.608 23.729 0.00 0.00 WT0 H +ATOM 6740 OH2 TIP3 4546 -22.134 -10.472 13.790 0.00 0.00 WT0 O +ATOM 6741 H1 TIP3 4546 -22.864 -10.122 14.300 0.00 0.00 WT0 H +ATOM 6742 H2 TIP3 4546 -21.354 -10.262 14.310 0.00 0.00 WT0 H +ATOM 6743 OH2 TIP3 4547 22.238 -13.812 -8.896 0.00 0.00 WT0 O +ATOM 6744 H1 TIP3 4547 21.948 -14.722 -8.876 0.00 0.00 WT0 H +ATOM 6745 H2 TIP3 4547 22.438 -13.632 -9.816 0.00 0.00 WT0 H +ATOM 6746 OH2 TIP3 4548 14.728 5.766 -8.945 0.00 0.00 WT0 O +ATOM 6747 H1 TIP3 4548 13.888 6.236 -8.955 0.00 0.00 WT0 H +ATOM 6748 H2 TIP3 4548 14.748 5.306 -9.775 0.00 0.00 WT0 H +ATOM 6749 OH2 TIP3 4549 9.434 -2.192 -21.159 0.00 0.00 WT0 O +ATOM 6750 H1 TIP3 4549 9.514 -2.102 -20.209 0.00 0.00 WT0 H +ATOM 6751 H2 TIP3 4549 10.184 -2.732 -21.419 0.00 0.00 WT0 H +ATOM 6752 OH2 TIP3 4550 -13.576 -11.514 -7.500 0.00 0.00 WT0 O +ATOM 6753 H1 TIP3 4550 -14.066 -11.284 -8.300 0.00 0.00 WT0 H +ATOM 6754 H2 TIP3 4550 -12.866 -12.064 -7.820 0.00 0.00 WT0 H +ATOM 6755 OH2 TIP3 4551 1.823 15.691 -6.182 0.00 0.00 WT0 O +ATOM 6756 H1 TIP3 4551 1.143 15.151 -5.782 0.00 0.00 WT0 H +ATOM 6757 H2 TIP3 4551 2.643 15.341 -5.832 0.00 0.00 WT0 H +ATOM 6758 OH2 TIP3 4553 -10.152 -1.012 23.567 0.00 0.00 WT0 O +ATOM 6759 H1 TIP3 4553 -9.332 -0.922 23.077 0.00 0.00 WT0 H +ATOM 6760 H2 TIP3 4553 -10.112 -0.322 24.227 0.00 0.00 WT0 H +ATOM 6761 OH2 TIP3 4558 -14.231 -23.547 -22.399 0.00 0.00 WT0 O +ATOM 6762 H1 TIP3 4558 -14.541 -24.447 -22.549 0.00 0.00 WT0 H +ATOM 6763 H2 TIP3 4558 -14.411 -23.087 -23.219 0.00 0.00 WT0 H +ATOM 6764 OH2 TIP3 4559 2.043 1.848 -18.351 0.00 0.00 WT0 O +ATOM 6765 H1 TIP3 4559 2.993 1.728 -18.361 0.00 0.00 WT0 H +ATOM 6766 H2 TIP3 4559 1.743 1.498 -19.181 0.00 0.00 WT0 H +ATOM 6767 OH2 TIP3 4560 -11.757 9.561 -0.125 0.00 0.00 WT0 O +ATOM 6768 H1 TIP3 4560 -11.217 9.711 -0.905 0.00 0.00 WT0 H +ATOM 6769 H2 TIP3 4560 -11.447 10.211 0.515 0.00 0.00 WT0 H +ATOM 6770 OH2 TIP3 4561 -23.895 -9.223 15.534 0.00 0.00 WT0 O +ATOM 6771 H1 TIP3 4561 -24.265 -9.013 16.394 0.00 0.00 WT0 H +ATOM 6772 H2 TIP3 4561 -23.935 -8.403 15.044 0.00 0.00 WT0 H +ATOM 6773 OH2 TIP3 4563 15.223 -17.924 -13.773 0.00 0.00 WT0 O +ATOM 6774 H1 TIP3 4563 14.493 -17.494 -13.313 0.00 0.00 WT0 H +ATOM 6775 H2 TIP3 4563 15.833 -18.164 -13.073 0.00 0.00 WT0 H +ATOM 6776 OH2 TIP3 4564 6.817 -13.957 -7.127 0.00 0.00 WT0 O +ATOM 6777 H1 TIP3 4564 6.727 -14.307 -8.007 0.00 0.00 WT0 H +ATOM 6778 H2 TIP3 4564 7.607 -14.367 -6.787 0.00 0.00 WT0 H +ATOM 6779 OH2 TIP3 4566 -8.881 -23.147 -2.199 0.00 0.00 WT0 O +ATOM 6780 H1 TIP3 4566 -9.491 -23.877 -2.049 0.00 0.00 WT0 H +ATOM 6781 H2 TIP3 4566 -8.081 -23.407 -1.749 0.00 0.00 WT0 H +ATOM 6782 OH2 TIP3 4568 -10.773 21.235 25.429 0.00 0.00 WT0 O +ATOM 6783 H1 TIP3 4568 -11.363 21.885 25.029 0.00 0.00 WT0 H +ATOM 6784 H2 TIP3 4568 -10.213 20.955 24.709 0.00 0.00 WT0 H +ATOM 6785 OH2 TIP3 4569 -2.835 -7.561 20.344 0.00 0.00 WT0 O +ATOM 6786 H1 TIP3 4569 -3.605 -7.161 20.744 0.00 0.00 WT0 H +ATOM 6787 H2 TIP3 4569 -2.095 -7.201 20.824 0.00 0.00 WT0 H +ATOM 6788 OH2 TIP3 4570 10.980 -18.877 20.732 0.00 0.00 WT0 O +ATOM 6789 H1 TIP3 4570 11.840 -18.577 20.462 0.00 0.00 WT0 H +ATOM 6790 H2 TIP3 4570 10.400 -18.137 20.532 0.00 0.00 WT0 H +ATOM 6791 OH2 TIP3 4571 -14.770 6.499 16.941 0.00 0.00 WT0 O +ATOM 6792 H1 TIP3 4571 -15.070 7.389 16.751 0.00 0.00 WT0 H +ATOM 6793 H2 TIP3 4571 -14.310 6.219 16.151 0.00 0.00 WT0 H +ATOM 6794 OH2 TIP3 4572 -11.012 24.590 19.467 0.00 0.00 WT0 O +ATOM 6795 H1 TIP3 4572 -11.452 24.910 20.257 0.00 0.00 WT0 H +ATOM 6796 H2 TIP3 4572 -11.462 23.770 19.267 0.00 0.00 WT0 H +ATOM 6797 OH2 TIP3 4573 8.386 12.055 -22.407 0.00 0.00 WT0 O +ATOM 6798 H1 TIP3 4573 7.676 11.655 -22.917 0.00 0.00 WT0 H +ATOM 6799 H2 TIP3 4573 9.046 12.285 -23.057 0.00 0.00 WT0 H +ATOM 6800 OH2 TIP3 4574 -9.639 -15.775 17.020 0.00 0.00 WT0 O +ATOM 6801 H1 TIP3 4574 -10.189 -16.405 16.580 0.00 0.00 WT0 H +ATOM 6802 H2 TIP3 4574 -10.239 -15.245 17.560 0.00 0.00 WT0 H +ATOM 6803 OH2 TIP3 4578 12.158 17.669 23.659 0.00 0.00 WT0 O +ATOM 6804 H1 TIP3 4578 12.468 16.809 23.369 0.00 0.00 WT0 H +ATOM 6805 H2 TIP3 4578 11.518 17.929 22.999 0.00 0.00 WT0 H +ATOM 6806 OH2 TIP3 4581 -16.256 0.592 -6.798 0.00 0.00 WT0 O +ATOM 6807 H1 TIP3 4581 -15.336 0.742 -6.998 0.00 0.00 WT0 H +ATOM 6808 H2 TIP3 4581 -16.256 -0.168 -6.218 0.00 0.00 WT0 H +ATOM 6809 OH2 TIP3 4582 -1.061 16.595 15.729 0.00 0.00 WT0 O +ATOM 6810 H1 TIP3 4582 -1.691 17.225 16.089 0.00 0.00 WT0 H +ATOM 6811 H2 TIP3 4582 -1.551 15.785 15.629 0.00 0.00 WT0 H +ATOM 6812 OH2 TIP3 4584 -2.392 -20.744 -8.810 0.00 0.00 WT0 O +ATOM 6813 H1 TIP3 4584 -2.292 -19.874 -8.410 0.00 0.00 WT0 H +ATOM 6814 H2 TIP3 4584 -2.772 -20.564 -9.670 0.00 0.00 WT0 H +ATOM 6815 OH2 TIP3 4586 5.173 -22.453 17.989 0.00 0.00 WT0 O +ATOM 6816 H1 TIP3 4586 5.203 -23.363 17.689 0.00 0.00 WT0 H +ATOM 6817 H2 TIP3 4586 4.553 -22.453 18.709 0.00 0.00 WT0 H +ATOM 6818 OH2 TIP3 4590 19.871 24.714 12.212 0.00 0.00 WT0 O +ATOM 6819 H1 TIP3 4590 20.741 24.884 11.832 0.00 0.00 WT0 H +ATOM 6820 H2 TIP3 4590 19.601 25.554 12.592 0.00 0.00 WT0 H +ATOM 6821 OH2 TIP3 4591 -21.734 14.913 -15.154 0.00 0.00 WT0 O +ATOM 6822 H1 TIP3 4591 -21.204 15.583 -15.594 0.00 0.00 WT0 H +ATOM 6823 H2 TIP3 4591 -22.424 14.703 -15.784 0.00 0.00 WT0 H +ATOM 6824 OH2 TIP3 4593 -19.611 -6.915 11.796 0.00 0.00 WT0 O +ATOM 6825 H1 TIP3 4593 -19.721 -7.795 12.146 0.00 0.00 WT0 H +ATOM 6826 H2 TIP3 4593 -20.451 -6.485 11.956 0.00 0.00 WT0 H +ATOM 6827 OH2 TIP3 4595 18.145 -2.891 21.725 0.00 0.00 WT0 O +ATOM 6828 H1 TIP3 4595 17.685 -3.091 20.905 0.00 0.00 WT0 H +ATOM 6829 H2 TIP3 4595 17.525 -2.351 22.215 0.00 0.00 WT0 H +ATOM 6830 OH2 TIP3 4596 0.867 -15.187 15.156 0.00 0.00 WT0 O +ATOM 6831 H1 TIP3 4596 1.177 -14.327 15.446 0.00 0.00 WT0 H +ATOM 6832 H2 TIP3 4596 0.357 -15.517 15.896 0.00 0.00 WT0 H +ATOM 6833 OH2 TIP3 4599 23.604 21.941 -2.829 0.00 0.00 WT0 O +ATOM 6834 H1 TIP3 4599 23.924 22.431 -3.589 0.00 0.00 WT0 H +ATOM 6835 H2 TIP3 4599 24.404 21.681 -2.359 0.00 0.00 WT0 H +ATOM 6836 OH2 TIP3 4600 -3.055 4.537 -7.411 0.00 0.00 WT0 O +ATOM 6837 H1 TIP3 4600 -2.125 4.547 -7.641 0.00 0.00 WT0 H +ATOM 6838 H2 TIP3 4600 -3.085 4.837 -6.501 0.00 0.00 WT0 H +ATOM 6839 OH2 TIP3 4602 -10.753 -5.657 18.352 0.00 0.00 WT0 O +ATOM 6840 H1 TIP3 4602 -10.023 -5.947 17.812 0.00 0.00 WT0 H +ATOM 6841 H2 TIP3 4602 -11.503 -6.157 18.032 0.00 0.00 WT0 H +ATOM 6842 OH2 TIP3 4603 12.877 -6.897 1.635 0.00 0.00 WT0 O +ATOM 6843 H1 TIP3 4603 12.727 -7.837 1.775 0.00 0.00 WT0 H +ATOM 6844 H2 TIP3 4603 13.677 -6.707 2.125 0.00 0.00 WT0 H +ATOM 6845 OH2 TIP3 4604 20.047 -9.143 -14.868 0.00 0.00 WT0 O +ATOM 6846 H1 TIP3 4604 20.417 -8.273 -15.028 0.00 0.00 WT0 H +ATOM 6847 H2 TIP3 4604 20.257 -9.643 -15.658 0.00 0.00 WT0 H +ATOM 6848 OH2 TIP3 4607 16.570 16.075 -2.701 0.00 0.00 WT0 O +ATOM 6849 H1 TIP3 4607 15.860 16.045 -3.341 0.00 0.00 WT0 H +ATOM 6850 H2 TIP3 4607 16.720 17.005 -2.551 0.00 0.00 WT0 H +ATOM 6851 OH2 TIP3 4610 -7.140 -22.341 12.042 0.00 0.00 WT0 O +ATOM 6852 H1 TIP3 4610 -6.210 -22.571 11.992 0.00 0.00 WT0 H +ATOM 6853 H2 TIP3 4610 -7.260 -22.031 12.942 0.00 0.00 WT0 H +ATOM 6854 OH2 TIP3 4611 -19.050 1.472 14.199 0.00 0.00 WT0 O +ATOM 6855 H1 TIP3 4611 -18.150 1.362 14.489 0.00 0.00 WT0 H +ATOM 6856 H2 TIP3 4611 -19.460 0.612 14.329 0.00 0.00 WT0 H +ATOM 6857 OH2 TIP3 4612 17.985 -9.933 1.084 0.00 0.00 WT0 O +ATOM 6858 H1 TIP3 4612 17.345 -9.343 0.684 0.00 0.00 WT0 H +ATOM 6859 H2 TIP3 4612 18.825 -9.623 0.754 0.00 0.00 WT0 H +ATOM 6860 OH2 TIP3 4613 8.237 -3.777 -10.429 0.00 0.00 WT0 O +ATOM 6861 H1 TIP3 4613 7.967 -2.897 -10.159 0.00 0.00 WT0 H +ATOM 6862 H2 TIP3 4613 9.017 -3.957 -9.909 0.00 0.00 WT0 H +ATOM 6863 OH2 TIP3 4614 7.911 -6.328 13.723 0.00 0.00 WT0 O +ATOM 6864 H1 TIP3 4614 7.581 -6.808 14.473 0.00 0.00 WT0 H +ATOM 6865 H2 TIP3 4614 8.861 -6.358 13.813 0.00 0.00 WT0 H +ATOM 6866 OH2 TIP3 4615 -3.491 -9.452 -11.341 0.00 0.00 WT0 O +ATOM 6867 H1 TIP3 4615 -2.931 -10.052 -11.821 0.00 0.00 WT0 H +ATOM 6868 H2 TIP3 4615 -3.231 -9.562 -10.421 0.00 0.00 WT0 H +ATOM 6869 OH2 TIP3 4617 -14.442 22.184 -19.138 0.00 0.00 WT0 O +ATOM 6870 H1 TIP3 4617 -14.362 21.244 -18.988 0.00 0.00 WT0 H +ATOM 6871 H2 TIP3 4617 -15.382 22.334 -19.238 0.00 0.00 WT0 H +ATOM 6872 OH2 TIP3 4619 13.560 7.005 -0.051 0.00 0.00 WT0 O +ATOM 6873 H1 TIP3 4619 13.260 6.115 -0.251 0.00 0.00 WT0 H +ATOM 6874 H2 TIP3 4619 14.510 6.955 -0.151 0.00 0.00 WT0 H +ATOM 6875 OH2 TIP3 4621 -25.294 -17.983 -3.110 0.00 0.00 WT0 O +ATOM 6876 H1 TIP3 4621 -25.344 -18.863 -3.500 0.00 0.00 WT0 H +ATOM 6877 H2 TIP3 4621 -24.384 -17.733 -3.200 0.00 0.00 WT0 H +ATOM 6878 OH2 TIP3 4622 16.770 -12.077 -12.045 0.00 0.00 WT0 O +ATOM 6879 H1 TIP3 4622 17.160 -12.617 -11.355 0.00 0.00 WT0 H +ATOM 6880 H2 TIP3 4622 15.830 -12.137 -11.905 0.00 0.00 WT0 H +ATOM 6881 OH2 TIP3 4623 19.066 14.227 19.412 0.00 0.00 WT0 O +ATOM 6882 H1 TIP3 4623 18.806 13.467 19.922 0.00 0.00 WT0 H +ATOM 6883 H2 TIP3 4623 18.276 14.457 18.922 0.00 0.00 WT0 H +ATOM 6884 OH2 TIP3 4624 -10.024 22.854 -15.639 0.00 0.00 WT0 O +ATOM 6885 H1 TIP3 4624 -9.504 22.814 -16.439 0.00 0.00 WT0 H +ATOM 6886 H2 TIP3 4624 -10.004 21.964 -15.289 0.00 0.00 WT0 H +ATOM 6887 OH2 TIP3 4625 -22.519 25.277 -12.954 0.00 0.00 WT0 O +ATOM 6888 H1 TIP3 4625 -21.699 24.997 -12.544 0.00 0.00 WT0 H +ATOM 6889 H2 TIP3 4625 -23.149 24.597 -12.704 0.00 0.00 WT0 H +ATOM 6890 OH2 TIP3 4627 10.951 -1.702 -25.341 0.00 0.00 WT0 O +ATOM 6891 H1 TIP3 4627 10.711 -1.412 -24.461 0.00 0.00 WT0 H +ATOM 6892 H2 TIP3 4627 10.971 -0.892 -25.851 0.00 0.00 WT0 H +ATOM 6893 OH2 TIP3 4628 -0.162 -17.765 -8.474 0.00 0.00 WT0 O +ATOM 6894 H1 TIP3 4628 -0.902 -18.255 -8.114 0.00 0.00 WT0 H +ATOM 6895 H2 TIP3 4628 0.518 -18.425 -8.624 0.00 0.00 WT0 H +ATOM 6896 OH2 TIP3 4632 -2.796 -14.015 25.026 0.00 0.00 WT0 O +ATOM 6897 H1 TIP3 4632 -2.356 -13.165 24.966 0.00 0.00 WT0 H +ATOM 6898 H2 TIP3 4632 -3.286 -14.085 24.216 0.00 0.00 WT0 H +ATOM 6899 OH2 TIP3 4633 -4.932 5.368 -12.861 0.00 0.00 WT0 O +ATOM 6900 H1 TIP3 4633 -5.392 5.118 -12.061 0.00 0.00 WT0 H +ATOM 6901 H2 TIP3 4633 -4.122 5.778 -12.571 0.00 0.00 WT0 H +ATOM 6902 OH2 TIP3 4634 -12.433 11.730 -6.623 0.00 0.00 WT0 O +ATOM 6903 H1 TIP3 4634 -12.863 10.880 -6.613 0.00 0.00 WT0 H +ATOM 6904 H2 TIP3 4634 -12.043 11.820 -5.753 0.00 0.00 WT0 H +ATOM 6905 OH2 TIP3 4635 -7.376 11.416 -8.658 0.00 0.00 WT0 O +ATOM 6906 H1 TIP3 4635 -6.556 11.906 -8.628 0.00 0.00 WT0 H +ATOM 6907 H2 TIP3 4635 -7.556 11.196 -7.738 0.00 0.00 WT0 H +ATOM 6908 OH2 TIP3 4636 3.859 -13.259 0.631 0.00 0.00 WT0 O +ATOM 6909 H1 TIP3 4636 4.179 -13.539 -0.229 0.00 0.00 WT0 H +ATOM 6910 H2 TIP3 4636 3.519 -14.069 1.021 0.00 0.00 WT0 H +ATOM 6911 OH2 TIP3 4639 8.140 9.847 -8.058 0.00 0.00 WT0 O +ATOM 6912 H1 TIP3 4639 7.300 9.437 -7.888 0.00 0.00 WT0 H +ATOM 6913 H2 TIP3 4639 8.180 9.947 -9.008 0.00 0.00 WT0 H +ATOM 6914 OH2 TIP3 4641 21.333 -7.735 -24.978 0.00 0.00 WT0 O +ATOM 6915 H1 TIP3 4641 20.873 -7.835 -25.818 0.00 0.00 WT0 H +ATOM 6916 H2 TIP3 4641 22.043 -8.375 -25.018 0.00 0.00 WT0 H +ATOM 6917 OH2 TIP3 4643 21.932 -22.823 2.912 0.00 0.00 WT0 O +ATOM 6918 H1 TIP3 4643 22.301 -21.963 3.132 0.00 0.00 WT0 H +ATOM 6919 H2 TIP3 4643 22.391 -23.433 3.492 0.00 0.00 WT0 H +ATOM 6920 OH2 TIP3 4644 10.007 24.305 22.172 0.00 0.00 WT0 O +ATOM 6921 H1 TIP3 4644 9.777 23.405 21.922 0.00 0.00 WT0 H +ATOM 6922 H2 TIP3 4644 10.667 24.185 22.872 0.00 0.00 WT0 H +ATOM 6923 OH2 TIP3 4645 11.360 5.368 -0.433 0.00 0.00 WT0 O +ATOM 6924 H1 TIP3 4645 10.530 5.318 -0.893 0.00 0.00 WT0 H +ATOM 6925 H2 TIP3 4645 11.190 5.968 0.297 0.00 0.00 WT0 H +ATOM 6926 OH2 TIP3 4646 21.905 18.138 -7.428 0.00 0.00 WT0 O +ATOM 6927 H1 TIP3 4646 21.765 17.188 -7.358 0.00 0.00 WT0 H +ATOM 6928 H2 TIP3 4646 22.275 18.388 -6.588 0.00 0.00 WT0 H +ATOM 6929 OH2 TIP3 4647 7.755 20.442 25.058 0.00 0.00 WT0 O +ATOM 6930 H1 TIP3 4647 7.825 19.722 24.418 0.00 0.00 WT0 H +ATOM 6931 H2 TIP3 4647 8.085 21.202 24.598 0.00 0.00 WT0 H +ATOM 6932 OH2 TIP3 4648 10.954 4.475 -9.655 0.00 0.00 WT0 O +ATOM 6933 H1 TIP3 4648 10.074 4.865 -9.575 0.00 0.00 WT0 H +ATOM 6934 H2 TIP3 4648 11.504 4.995 -9.065 0.00 0.00 WT0 H +ATOM 6935 OH2 TIP3 4650 -16.679 -14.551 12.226 0.00 0.00 WT0 O +ATOM 6936 H1 TIP3 4650 -17.399 -13.921 12.266 0.00 0.00 WT0 H +ATOM 6937 H2 TIP3 4650 -16.049 -14.231 12.866 0.00 0.00 WT0 H +ATOM 6938 OH2 TIP3 4651 -11.073 -19.505 -11.866 0.00 0.00 WT0 O +ATOM 6939 H1 TIP3 4651 -11.633 -20.255 -12.066 0.00 0.00 WT0 H +ATOM 6940 H2 TIP3 4651 -11.613 -18.965 -11.286 0.00 0.00 WT0 H +ATOM 6941 OH2 TIP3 4652 -2.887 6.671 7.322 0.00 0.00 WT0 O +ATOM 6942 H1 TIP3 4652 -3.177 5.891 7.802 0.00 0.00 WT0 H +ATOM 6943 H2 TIP3 4652 -3.537 7.341 7.552 0.00 0.00 WT0 H +ATOM 6944 OH2 TIP3 4654 21.160 -3.617 18.322 0.00 0.00 WT0 O +ATOM 6945 H1 TIP3 4654 21.020 -4.537 18.092 0.00 0.00 WT0 H +ATOM 6946 H2 TIP3 4654 21.790 -3.637 19.032 0.00 0.00 WT0 H +ATOM 6947 OH2 TIP3 4655 -5.785 -23.465 -0.149 0.00 0.00 WT0 O +ATOM 6948 H1 TIP3 4655 -5.345 -24.305 -0.029 0.00 0.00 WT0 H +ATOM 6949 H2 TIP3 4655 -5.885 -23.385 -1.099 0.00 0.00 WT0 H +ATOM 6950 OH2 TIP3 4661 -0.591 23.411 22.669 0.00 0.00 WT0 O +ATOM 6951 H1 TIP3 4661 -1.071 24.171 22.999 0.00 0.00 WT0 H +ATOM 6952 H2 TIP3 4661 -0.061 23.751 21.949 0.00 0.00 WT0 H +ATOM 6953 OH2 TIP3 4665 -3.643 20.877 -5.923 0.00 0.00 WT0 O +ATOM 6954 H1 TIP3 4665 -3.443 21.737 -5.563 0.00 0.00 WT0 H +ATOM 6955 H2 TIP3 4665 -3.573 20.287 -5.173 0.00 0.00 WT0 H +ATOM 6956 OH2 TIP3 4666 15.516 12.637 -15.714 0.00 0.00 WT0 O +ATOM 6957 H1 TIP3 4666 15.266 13.547 -15.584 0.00 0.00 WT0 H +ATOM 6958 H2 TIP3 4666 15.326 12.207 -14.884 0.00 0.00 WT0 H +ATOM 6959 OH2 TIP3 4667 20.685 20.308 -13.735 0.00 0.00 WT0 O +ATOM 6960 H1 TIP3 4667 21.165 20.988 -14.205 0.00 0.00 WT0 H +ATOM 6961 H2 TIP3 4667 21.365 19.758 -13.345 0.00 0.00 WT0 H +ATOM 6962 OH2 TIP3 4668 -19.884 -5.887 -18.791 0.00 0.00 WT0 O +ATOM 6963 H1 TIP3 4668 -19.154 -5.817 -18.171 0.00 0.00 WT0 H +ATOM 6964 H2 TIP3 4668 -20.544 -6.377 -18.311 0.00 0.00 WT0 H +ATOM 6965 OH2 TIP3 4669 3.804 7.764 3.568 0.00 0.00 WT0 O +ATOM 6966 H1 TIP3 4669 3.234 8.524 3.688 0.00 0.00 WT0 H +ATOM 6967 H2 TIP3 4669 3.364 7.054 4.028 0.00 0.00 WT0 H +ATOM 6968 OH2 TIP3 4670 9.051 -15.974 -13.043 0.00 0.00 WT0 O +ATOM 6969 H1 TIP3 4670 9.831 -15.924 -12.483 0.00 0.00 WT0 H +ATOM 6970 H2 TIP3 4670 9.341 -16.464 -13.813 0.00 0.00 WT0 H +ATOM 6971 OH2 TIP3 4671 -9.069 8.823 -19.636 0.00 0.00 WT0 O +ATOM 6972 H1 TIP3 4671 -9.279 7.893 -19.696 0.00 0.00 WT0 H +ATOM 6973 H2 TIP3 4671 -8.589 8.913 -18.816 0.00 0.00 WT0 H +ATOM 6974 OH2 TIP3 4672 22.387 -15.750 23.385 0.00 0.00 WT0 O +ATOM 6975 H1 TIP3 4672 22.857 -15.160 22.805 0.00 0.00 WT0 H +ATOM 6976 H2 TIP3 4672 22.997 -16.470 23.555 0.00 0.00 WT0 H +ATOM 6977 OH2 TIP3 4673 2.848 9.307 12.622 0.00 0.00 WT0 O +ATOM 6978 H1 TIP3 4673 2.868 8.707 11.882 0.00 0.00 WT0 H +ATOM 6979 H2 TIP3 4673 3.348 10.067 12.332 0.00 0.00 WT0 H +ATOM 6980 OH2 TIP3 4674 -23.952 25.351 -25.421 0.00 0.00 WT0 O +ATOM 6981 H1 TIP3 4674 -23.772 24.571 -24.901 0.00 0.00 WT0 H +ATOM 6982 H2 TIP3 4674 -24.862 25.571 -25.231 0.00 0.00 WT0 H +ATOM 6983 OH2 TIP3 4675 3.099 -13.612 7.839 0.00 0.00 WT0 O +ATOM 6984 H1 TIP3 4675 3.809 -14.232 7.709 0.00 0.00 WT0 H +ATOM 6985 H2 TIP3 4675 2.389 -14.122 8.219 0.00 0.00 WT0 H +ATOM 6986 OH2 TIP3 4676 -14.111 4.485 23.629 0.00 0.00 WT0 O +ATOM 6987 H1 TIP3 4676 -13.521 4.905 24.259 0.00 0.00 WT0 H +ATOM 6988 H2 TIP3 4676 -14.981 4.605 23.999 0.00 0.00 WT0 H +ATOM 6989 OH2 TIP3 4677 -11.417 12.122 20.674 0.00 0.00 WT0 O +ATOM 6990 H1 TIP3 4677 -12.337 11.992 20.904 0.00 0.00 WT0 H +ATOM 6991 H2 TIP3 4677 -11.157 12.892 21.184 0.00 0.00 WT0 H +ATOM 6992 OH2 TIP3 4685 3.459 21.565 -0.153 0.00 0.00 WT0 O +ATOM 6993 H1 TIP3 4685 3.839 21.885 0.667 0.00 0.00 WT0 H +ATOM 6994 H2 TIP3 4685 2.689 22.105 -0.283 0.00 0.00 WT0 H +ATOM 6995 OH2 TIP3 4686 23.465 10.934 14.369 0.00 0.00 WT0 O +ATOM 6996 H1 TIP3 4686 23.045 10.404 13.689 0.00 0.00 WT0 H +ATOM 6997 H2 TIP3 4686 23.015 10.684 15.179 0.00 0.00 WT0 H +ATOM 6998 OH2 TIP3 4687 -6.306 17.440 -16.657 0.00 0.00 WT0 O +ATOM 6999 H1 TIP3 4687 -6.066 16.810 -15.967 0.00 0.00 WT0 H +ATOM 7000 H2 TIP3 4687 -6.736 16.900 -17.327 0.00 0.00 WT0 H +ATOM 7001 OH2 TIP3 4689 -21.853 9.983 -18.417 0.00 0.00 WT0 O +ATOM 7002 H1 TIP3 4689 -21.743 9.543 -19.257 0.00 0.00 WT0 H +ATOM 7003 H2 TIP3 4689 -22.793 10.143 -18.347 0.00 0.00 WT0 H +ATOM 7004 OH2 TIP3 4692 24.291 -23.185 -14.948 0.00 0.00 WT0 O +ATOM 7005 H1 TIP3 4692 24.361 -22.895 -14.048 0.00 0.00 WT0 H +ATOM 7006 H2 TIP3 4692 24.761 -22.515 -15.458 0.00 0.00 WT0 H +ATOM 7007 OH2 TIP3 4693 18.136 13.366 8.919 0.00 0.00 WT0 O +ATOM 7008 H1 TIP3 4693 17.356 13.036 9.339 0.00 0.00 WT0 H +ATOM 7009 H2 TIP3 4693 18.776 12.656 8.989 0.00 0.00 WT0 H +ATOM 7010 OH2 TIP3 4694 15.894 -14.015 0.969 0.00 0.00 WT0 O +ATOM 7011 H1 TIP3 4694 16.274 -14.885 0.839 0.00 0.00 WT0 H +ATOM 7012 H2 TIP3 4694 16.514 -13.575 1.549 0.00 0.00 WT0 H +ATOM 7013 OH2 TIP3 4696 -14.476 4.326 -1.729 0.00 0.00 WT0 O +ATOM 7014 H1 TIP3 4696 -15.096 3.656 -1.439 0.00 0.00 WT0 H +ATOM 7015 H2 TIP3 4696 -14.106 4.666 -0.909 0.00 0.00 WT0 H +ATOM 7016 OH2 TIP3 4698 22.516 -0.975 12.949 0.00 0.00 WT0 O +ATOM 7017 H1 TIP3 4698 22.256 -1.615 13.619 0.00 0.00 WT0 H +ATOM 7018 H2 TIP3 4698 21.706 -0.515 12.729 0.00 0.00 WT0 H +ATOM 7019 OH2 TIP3 4699 4.123 -18.599 -13.785 0.00 0.00 WT0 O +ATOM 7020 H1 TIP3 4699 3.993 -17.819 -14.325 0.00 0.00 WT0 H +ATOM 7021 H2 TIP3 4699 4.823 -18.359 -13.175 0.00 0.00 WT0 H +ATOM 7022 OH2 TIP3 4706 -0.729 20.665 15.103 0.00 0.00 WT0 O +ATOM 7023 H1 TIP3 4706 -1.469 20.865 15.683 0.00 0.00 WT0 H +ATOM 7024 H2 TIP3 4706 -0.809 19.725 14.943 0.00 0.00 WT0 H +ATOM 7025 OH2 TIP3 4708 19.306 -25.094 -0.136 0.00 0.00 WT0 O +ATOM 7026 H1 TIP3 4708 18.896 -25.204 -0.996 0.00 0.00 WT0 H +ATOM 7027 H2 TIP3 4708 18.756 -24.454 0.314 0.00 0.00 WT0 H +ATOM 7028 OH2 TIP3 4710 -12.320 -3.132 1.071 0.00 0.00 WT0 O +ATOM 7029 H1 TIP3 4710 -12.240 -2.562 0.311 0.00 0.00 WT0 H +ATOM 7030 H2 TIP3 4710 -13.020 -3.752 0.841 0.00 0.00 WT0 H +ATOM 7031 OH2 TIP3 4713 -7.184 -24.038 -15.191 0.00 0.00 WT0 O +ATOM 7032 H1 TIP3 4713 -6.694 -23.948 -16.011 0.00 0.00 WT0 H +ATOM 7033 H2 TIP3 4713 -6.824 -24.828 -14.791 0.00 0.00 WT0 H +ATOM 7034 OH2 TIP3 4714 15.335 -9.927 -13.215 0.00 0.00 WT0 O +ATOM 7035 H1 TIP3 4714 16.215 -10.317 -13.245 0.00 0.00 WT0 H +ATOM 7036 H2 TIP3 4714 14.825 -10.437 -13.845 0.00 0.00 WT0 H +ATOM 7037 OH2 TIP3 4715 -5.507 -19.572 -3.839 0.00 0.00 WT0 O +ATOM 7038 H1 TIP3 4715 -4.927 -18.862 -4.109 0.00 0.00 WT0 H +ATOM 7039 H2 TIP3 4715 -6.067 -19.722 -4.609 0.00 0.00 WT0 H +ATOM 7040 OH2 TIP3 4717 13.418 18.450 10.557 0.00 0.00 WT0 O +ATOM 7041 H1 TIP3 4717 13.588 19.250 11.057 0.00 0.00 WT0 H +ATOM 7042 H2 TIP3 4717 14.048 17.810 10.897 0.00 0.00 WT0 H +ATOM 7043 OH2 TIP3 4718 9.145 -15.617 -8.343 0.00 0.00 WT0 O +ATOM 7044 H1 TIP3 4718 9.805 -16.217 -8.703 0.00 0.00 WT0 H +ATOM 7045 H2 TIP3 4718 8.945 -15.967 -7.473 0.00 0.00 WT0 H +ATOM 7046 OH2 TIP3 4725 -18.872 -3.120 18.639 0.00 0.00 WT0 O +ATOM 7047 H1 TIP3 4725 -18.982 -2.250 19.009 0.00 0.00 WT0 H +ATOM 7048 H2 TIP3 4725 -18.472 -3.630 19.349 0.00 0.00 WT0 H +ATOM 7049 OH2 TIP3 4732 -25.065 -2.160 -9.038 0.00 0.00 WT0 O +ATOM 7050 H1 TIP3 4732 -25.925 -2.470 -9.338 0.00 0.00 WT0 H +ATOM 7051 H2 TIP3 4732 -24.435 -2.550 -9.638 0.00 0.00 WT0 H +ATOM 7052 OH2 TIP3 4734 -23.467 -0.540 -1.655 0.00 0.00 WT0 O +ATOM 7053 H1 TIP3 4734 -23.517 0.270 -1.155 0.00 0.00 WT0 H +ATOM 7054 H2 TIP3 4734 -24.377 -0.770 -1.835 0.00 0.00 WT0 H +ATOM 7055 OH2 TIP3 4735 -16.009 22.117 -1.171 0.00 0.00 WT0 O +ATOM 7056 H1 TIP3 4735 -15.859 22.627 -1.971 0.00 0.00 WT0 H +ATOM 7057 H2 TIP3 4735 -15.239 21.547 -1.111 0.00 0.00 WT0 H +ATOM 7058 OH2 TIP3 4739 22.631 24.911 -6.829 0.00 0.00 WT0 O +ATOM 7059 H1 TIP3 4739 22.101 24.921 -7.619 0.00 0.00 WT0 H +ATOM 7060 H2 TIP3 4739 22.211 24.261 -6.269 0.00 0.00 WT0 H +ATOM 7061 OH2 TIP3 4740 4.660 -21.324 7.266 0.00 0.00 WT0 O +ATOM 7062 H1 TIP3 4740 4.620 -20.924 8.136 0.00 0.00 WT0 H +ATOM 7063 H2 TIP3 4740 5.030 -22.194 7.426 0.00 0.00 WT0 H +ATOM 7064 OH2 TIP3 4742 -4.833 12.090 -11.794 0.00 0.00 WT0 O +ATOM 7065 H1 TIP3 4742 -5.483 12.630 -12.244 0.00 0.00 WT0 H +ATOM 7066 H2 TIP3 4742 -4.503 11.500 -12.474 0.00 0.00 WT0 H +ATOM 7067 OH2 TIP3 4750 -3.780 8.720 -21.724 0.00 0.00 WT0 O +ATOM 7068 H1 TIP3 4750 -3.250 8.710 -20.924 0.00 0.00 WT0 H +ATOM 7069 H2 TIP3 4750 -3.300 9.300 -22.314 0.00 0.00 WT0 H +ATOM 7070 OH2 TIP3 4751 18.800 -18.760 19.159 0.00 0.00 WT0 O +ATOM 7071 H1 TIP3 4751 18.760 -19.640 19.529 0.00 0.00 WT0 H +ATOM 7072 H2 TIP3 4751 19.410 -18.820 18.429 0.00 0.00 WT0 H +ATOM 7073 OH2 TIP3 4753 -16.547 -7.170 13.242 0.00 0.00 WT0 O +ATOM 7074 H1 TIP3 4753 -17.107 -7.900 13.492 0.00 0.00 WT0 H +ATOM 7075 H2 TIP3 4753 -17.017 -6.730 12.532 0.00 0.00 WT0 H +ATOM 7076 OH2 TIP3 4755 1.841 -24.054 -13.671 0.00 0.00 WT0 O +ATOM 7077 H1 TIP3 4755 1.501 -23.204 -13.381 0.00 0.00 WT0 H +ATOM 7078 H2 TIP3 4755 1.541 -24.674 -13.021 0.00 0.00 WT0 H +ATOM 7079 OH2 TIP3 4759 18.915 -18.307 -16.841 0.00 0.00 WT0 O +ATOM 7080 H1 TIP3 4759 18.135 -17.757 -16.871 0.00 0.00 WT0 H +ATOM 7081 H2 TIP3 4759 19.415 -17.977 -16.101 0.00 0.00 WT0 H +ATOM 7082 OH2 TIP3 4760 3.724 -23.931 4.836 0.00 0.00 WT0 O +ATOM 7083 H1 TIP3 4760 3.314 -23.261 4.296 0.00 0.00 WT0 H +ATOM 7084 H2 TIP3 4760 3.914 -23.481 5.666 0.00 0.00 WT0 H +ATOM 7085 OH2 TIP3 4776 1.641 -0.931 -22.561 0.00 0.00 WT0 O +ATOM 7086 H1 TIP3 4776 2.531 -1.281 -22.451 0.00 0.00 WT0 H +ATOM 7087 H2 TIP3 4776 1.091 -1.551 -22.081 0.00 0.00 WT0 H +ATOM 7088 OH2 TIP3 4778 -8.607 -9.097 24.422 0.00 0.00 WT0 O +ATOM 7089 H1 TIP3 4778 -9.097 -9.677 25.012 0.00 0.00 WT0 H +ATOM 7090 H2 TIP3 4778 -8.067 -8.567 25.002 0.00 0.00 WT0 H +ATOM 7091 OH2 TIP3 4787 -17.205 -24.514 8.883 0.00 0.00 WT0 O +ATOM 7092 H1 TIP3 4787 -17.235 -25.464 8.803 0.00 0.00 WT0 H +ATOM 7093 H2 TIP3 4787 -18.115 -24.234 8.853 0.00 0.00 WT0 H +ATOM 7094 OH2 TIP3 4791 15.733 22.734 -12.921 0.00 0.00 WT0 O +ATOM 7095 H1 TIP3 4791 16.433 22.654 -12.271 0.00 0.00 WT0 H +ATOM 7096 H2 TIP3 4791 15.313 23.574 -12.711 0.00 0.00 WT0 H +ATOM 7097 OH2 TIP3 4797 -4.422 16.891 -19.081 0.00 0.00 WT0 O +ATOM 7098 H1 TIP3 4797 -4.532 15.941 -19.121 0.00 0.00 WT0 H +ATOM 7099 H2 TIP3 4797 -5.002 17.171 -18.371 0.00 0.00 WT0 H +ATOM 7100 OH2 TIP3 4798 -4.911 -1.635 18.359 0.00 0.00 WT0 O +ATOM 7101 H1 TIP3 4798 -4.671 -2.035 17.519 0.00 0.00 WT0 H +ATOM 7102 H2 TIP3 4798 -5.851 -1.465 18.279 0.00 0.00 WT0 H +ATOM 7103 OH2 TIP3 4799 -25.229 10.371 20.239 0.00 0.00 WT0 O +ATOM 7104 H1 TIP3 4799 -24.389 9.921 20.329 0.00 0.00 WT0 H +ATOM 7105 H2 TIP3 4799 -24.999 11.291 20.109 0.00 0.00 WT0 H +ATOM 7106 OH2 TIP3 4800 -19.782 -16.789 14.164 0.00 0.00 WT0 O +ATOM 7107 H1 TIP3 4800 -20.322 -17.089 14.884 0.00 0.00 WT0 H +ATOM 7108 H2 TIP3 4800 -19.262 -17.549 13.924 0.00 0.00 WT0 H +ATOM 7109 OH2 TIP3 4801 -18.505 8.246 -11.345 0.00 0.00 WT0 O +ATOM 7110 H1 TIP3 4801 -18.455 9.096 -11.785 0.00 0.00 WT0 H +ATOM 7111 H2 TIP3 4801 -17.595 8.026 -11.145 0.00 0.00 WT0 H +ATOM 7112 OH2 TIP3 4808 9.431 -15.611 11.246 0.00 0.00 WT0 O +ATOM 7113 H1 TIP3 4808 9.531 -16.541 11.446 0.00 0.00 WT0 H +ATOM 7114 H2 TIP3 4808 9.501 -15.561 10.286 0.00 0.00 WT0 H +ATOM 7115 OH2 TIP3 4809 11.825 -24.881 -3.224 0.00 0.00 WT0 O +ATOM 7116 H1 TIP3 4809 11.455 -24.061 -2.914 0.00 0.00 WT0 H +ATOM 7117 H2 TIP3 4809 11.095 -25.341 -3.624 0.00 0.00 WT0 H +ATOM 7118 OH2 TIP3 4813 -11.867 -17.908 15.485 0.00 0.00 WT0 O +ATOM 7119 H1 TIP3 4813 -11.827 -18.388 14.655 0.00 0.00 WT0 H +ATOM 7120 H2 TIP3 4813 -12.787 -17.908 15.725 0.00 0.00 WT0 H +ATOM 7121 OH2 TIP3 4814 -10.176 16.042 11.874 0.00 0.00 WT0 O +ATOM 7122 H1 TIP3 4814 -10.866 16.182 11.224 0.00 0.00 WT0 H +ATOM 7123 H2 TIP3 4814 -10.466 16.532 12.644 0.00 0.00 WT0 H +ATOM 7124 OH2 TIP3 4815 11.387 18.029 -12.173 0.00 0.00 WT0 O +ATOM 7125 H1 TIP3 4815 12.047 18.709 -12.283 0.00 0.00 WT0 H +ATOM 7126 H2 TIP3 4815 10.587 18.419 -12.523 0.00 0.00 WT0 H +ATOM 7127 OH2 TIP3 4817 -9.495 -15.001 -7.885 0.00 0.00 WT0 O +ATOM 7128 H1 TIP3 4817 -8.535 -15.031 -7.945 0.00 0.00 WT0 H +ATOM 7129 H2 TIP3 4817 -9.705 -15.621 -7.195 0.00 0.00 WT0 H +ATOM 7130 OH2 TIP3 4820 1.757 -24.508 17.064 0.00 0.00 WT0 O +ATOM 7131 H1 TIP3 4820 0.817 -24.588 16.904 0.00 0.00 WT0 H +ATOM 7132 H2 TIP3 4820 2.137 -24.388 16.194 0.00 0.00 WT0 H +ATOM 7133 OH2 TIP3 4821 -18.324 -22.127 10.694 0.00 0.00 WT0 O +ATOM 7134 H1 TIP3 4821 -19.244 -22.017 10.924 0.00 0.00 WT0 H +ATOM 7135 H2 TIP3 4821 -18.004 -21.237 10.564 0.00 0.00 WT0 H +ATOM 7136 OH2 TIP3 4822 7.660 15.048 12.329 0.00 0.00 WT0 O +ATOM 7137 H1 TIP3 4822 7.420 15.368 13.199 0.00 0.00 WT0 H +ATOM 7138 H2 TIP3 4822 8.340 14.398 12.479 0.00 0.00 WT0 H +ATOM 7139 OH2 TIP3 4834 -19.945 5.198 -21.131 0.00 0.00 WT0 O +ATOM 7140 H1 TIP3 4834 -19.145 4.708 -20.951 0.00 0.00 WT0 H +ATOM 7141 H2 TIP3 4834 -19.645 6.098 -21.281 0.00 0.00 WT0 H +ATOM 7142 OH2 TIP3 4835 14.279 -3.927 -16.913 0.00 0.00 WT0 O +ATOM 7143 H1 TIP3 4835 13.999 -3.487 -17.723 0.00 0.00 WT0 H +ATOM 7144 H2 TIP3 4835 14.509 -3.217 -16.323 0.00 0.00 WT0 H +ATOM 7145 OH2 TIP3 4836 3.245 12.954 -17.748 0.00 0.00 WT0 O +ATOM 7146 H1 TIP3 4836 3.315 13.204 -18.668 0.00 0.00 WT0 H +ATOM 7147 H2 TIP3 4836 2.315 12.764 -17.628 0.00 0.00 WT0 H +ATOM 7148 OH2 TIP3 4837 -5.985 21.344 10.411 0.00 0.00 WT0 O +ATOM 7149 H1 TIP3 4837 -6.925 21.254 10.251 0.00 0.00 WT0 H +ATOM 7150 H2 TIP3 4837 -5.935 21.784 11.261 0.00 0.00 WT0 H +ATOM 7151 OH2 TIP3 4844 -14.976 12.082 -10.628 0.00 0.00 WT0 O +ATOM 7152 H1 TIP3 4844 -14.486 12.282 -9.838 0.00 0.00 WT0 H +ATOM 7153 H2 TIP3 4844 -15.216 11.152 -10.538 0.00 0.00 WT0 H +ATOM 7154 OH2 TIP3 4849 -11.245 -24.577 15.978 0.00 0.00 WT0 O +ATOM 7155 H1 TIP3 4849 -12.155 -24.337 15.778 0.00 0.00 WT0 H +ATOM 7156 H2 TIP3 4849 -10.725 -23.847 15.628 0.00 0.00 WT0 H +ATOM 7157 OH2 TIP3 4851 12.736 20.238 22.509 0.00 0.00 WT0 O +ATOM 7158 H1 TIP3 4851 13.646 20.528 22.559 0.00 0.00 WT0 H +ATOM 7159 H2 TIP3 4851 12.606 19.698 23.289 0.00 0.00 WT0 H +ATOM 7160 OH2 TIP3 4853 15.123 -13.630 21.545 0.00 0.00 WT0 O +ATOM 7161 H1 TIP3 4853 14.933 -14.570 21.595 0.00 0.00 WT0 H +ATOM 7162 H2 TIP3 4853 15.903 -13.520 22.095 0.00 0.00 WT0 H +ATOM 7163 OH2 TIP3 4856 -5.536 -2.311 6.582 0.00 0.00 WT0 O +ATOM 7164 H1 TIP3 4856 -6.196 -2.601 5.962 0.00 0.00 WT0 H +ATOM 7165 H2 TIP3 4856 -4.746 -2.191 6.052 0.00 0.00 WT0 H +ATOM 7166 OH2 TIP3 4857 23.720 -11.417 15.010 0.00 0.00 WT0 O +ATOM 7167 H1 TIP3 4857 24.640 -11.157 14.970 0.00 0.00 WT0 H +ATOM 7168 H2 TIP3 4857 23.750 -12.367 15.160 0.00 0.00 WT0 H +ATOM 7169 OH2 TIP3 4858 -9.576 -17.388 21.309 0.00 0.00 WT0 O +ATOM 7170 H1 TIP3 4858 -9.626 -16.438 21.269 0.00 0.00 WT0 H +ATOM 7171 H2 TIP3 4858 -9.896 -17.678 20.449 0.00 0.00 WT0 H +ATOM 7172 OH2 TIP3 4861 15.564 8.103 18.102 0.00 0.00 WT0 O +ATOM 7173 H1 TIP3 4861 15.574 7.173 17.852 0.00 0.00 WT0 H +ATOM 7174 H2 TIP3 4861 16.104 8.143 18.892 0.00 0.00 WT0 H +ATOM 7175 OH2 TIP3 4863 18.909 -4.479 14.778 0.00 0.00 WT0 O +ATOM 7176 H1 TIP3 4863 18.039 -4.259 14.438 0.00 0.00 WT0 H +ATOM 7177 H2 TIP3 4863 18.819 -4.419 15.728 0.00 0.00 WT0 H +ATOM 7178 OH2 TIP3 4864 -0.301 -16.673 -20.608 0.00 0.00 WT0 O +ATOM 7179 H1 TIP3 4864 0.129 -17.523 -20.458 0.00 0.00 WT0 H +ATOM 7180 H2 TIP3 4864 -0.051 -16.433 -21.498 0.00 0.00 WT0 H +ATOM 7181 OH2 TIP3 4866 -7.350 -16.937 -4.205 0.00 0.00 WT0 O +ATOM 7182 H1 TIP3 4866 -7.520 -16.997 -3.265 0.00 0.00 WT0 H +ATOM 7183 H2 TIP3 4866 -6.540 -16.437 -4.275 0.00 0.00 WT0 H +ATOM 7184 OH2 TIP3 4872 -22.336 -11.129 -0.788 0.00 0.00 WT0 O +ATOM 7185 H1 TIP3 4872 -22.006 -10.649 -1.548 0.00 0.00 WT0 H +ATOM 7186 H2 TIP3 4872 -23.276 -11.249 -0.968 0.00 0.00 WT0 H +ATOM 7187 OH2 TIP3 4875 6.494 2.135 -22.944 0.00 0.00 WT0 O +ATOM 7188 H1 TIP3 4875 6.754 3.055 -22.964 0.00 0.00 WT0 H +ATOM 7189 H2 TIP3 4875 5.644 2.115 -23.364 0.00 0.00 WT0 H +ATOM 7190 OH2 TIP3 4877 17.017 7.835 -13.735 0.00 0.00 WT0 O +ATOM 7191 H1 TIP3 4877 17.627 7.285 -13.245 0.00 0.00 WT0 H +ATOM 7192 H2 TIP3 4877 16.787 8.535 -13.135 0.00 0.00 WT0 H +ATOM 7193 OH2 TIP3 4880 -10.709 14.208 1.192 0.00 0.00 WT0 O +ATOM 7194 H1 TIP3 4880 -11.099 14.478 0.362 0.00 0.00 WT0 H +ATOM 7195 H2 TIP3 4880 -9.939 13.698 0.932 0.00 0.00 WT0 H +ATOM 7196 OH2 TIP3 4881 12.235 -7.731 -18.734 0.00 0.00 WT0 O +ATOM 7197 H1 TIP3 4881 12.605 -7.241 -18.004 0.00 0.00 WT0 H +ATOM 7198 H2 TIP3 4881 11.295 -7.721 -18.584 0.00 0.00 WT0 H +ATOM 7199 OH2 TIP3 4882 21.838 8.381 -0.962 0.00 0.00 WT0 O +ATOM 7200 H1 TIP3 4882 20.988 8.811 -0.892 0.00 0.00 WT0 H +ATOM 7201 H2 TIP3 4882 22.128 8.581 -1.852 0.00 0.00 WT0 H +ATOM 7202 OH2 TIP3 4884 1.049 -12.460 10.659 0.00 0.00 WT0 O +ATOM 7203 H1 TIP3 4884 0.749 -13.260 10.229 0.00 0.00 WT0 H +ATOM 7204 H2 TIP3 4884 1.729 -12.110 10.089 0.00 0.00 WT0 H +ATOM 7205 OH2 TIP3 4887 11.909 -9.207 21.137 0.00 0.00 WT0 O +ATOM 7206 H1 TIP3 4887 12.729 -8.707 21.127 0.00 0.00 WT0 H +ATOM 7207 H2 TIP3 4887 11.259 -8.617 20.747 0.00 0.00 WT0 H +ATOM 7208 OH2 TIP3 4890 8.083 13.509 20.932 0.00 0.00 WT0 O +ATOM 7209 H1 TIP3 4890 8.233 14.159 21.612 0.00 0.00 WT0 H +ATOM 7210 H2 TIP3 4890 8.313 12.669 21.342 0.00 0.00 WT0 H +ATOM 7211 OH2 TIP3 4896 -19.354 14.503 -3.281 0.00 0.00 WT0 O +ATOM 7212 H1 TIP3 4896 -18.884 13.703 -3.041 0.00 0.00 WT0 H +ATOM 7213 H2 TIP3 4896 -19.394 14.473 -4.241 0.00 0.00 WT0 H +ATOM 7214 OH2 TIP3 4897 -5.831 3.624 17.315 0.00 0.00 WT0 O +ATOM 7215 H1 TIP3 4897 -5.341 3.894 18.095 0.00 0.00 WT0 H +ATOM 7216 H2 TIP3 4897 -5.801 4.374 16.735 0.00 0.00 WT0 H +ATOM 7217 OH2 TIP3 4898 -20.514 -18.579 10.836 0.00 0.00 WT0 O +ATOM 7218 H1 TIP3 4898 -20.474 -18.899 9.936 0.00 0.00 WT0 H +ATOM 7219 H2 TIP3 4898 -20.704 -17.639 10.756 0.00 0.00 WT0 H +ATOM 7220 OH2 TIP3 4899 -23.546 5.784 -5.658 0.00 0.00 WT0 O +ATOM 7221 H1 TIP3 4899 -22.896 6.484 -5.708 0.00 0.00 WT0 H +ATOM 7222 H2 TIP3 4899 -24.356 6.224 -5.418 0.00 0.00 WT0 H +ATOM 7223 OH2 TIP3 4901 4.005 4.346 -13.138 0.00 0.00 WT0 O +ATOM 7224 H1 TIP3 4901 3.225 4.366 -12.578 0.00 0.00 WT0 H +ATOM 7225 H2 TIP3 4901 3.665 4.116 -14.008 0.00 0.00 WT0 H +ATOM 7226 OH2 TIP3 4902 0.430 13.297 -21.788 0.00 0.00 WT0 O +ATOM 7227 H1 TIP3 4902 1.070 12.657 -21.488 0.00 0.00 WT0 H +ATOM 7228 H2 TIP3 4902 -0.390 13.037 -21.378 0.00 0.00 WT0 H +ATOM 7229 OH2 TIP3 4903 -18.134 -20.104 -17.516 0.00 0.00 WT0 O +ATOM 7230 H1 TIP3 4903 -17.244 -19.774 -17.626 0.00 0.00 WT0 H +ATOM 7231 H2 TIP3 4903 -18.304 -20.044 -16.576 0.00 0.00 WT0 H +ATOM 7232 OH2 TIP3 4905 -6.174 17.152 -4.622 0.00 0.00 WT0 O +ATOM 7233 H1 TIP3 4905 -5.484 17.362 -5.242 0.00 0.00 WT0 H +ATOM 7234 H2 TIP3 4905 -6.394 17.992 -4.212 0.00 0.00 WT0 H +ATOM 7235 OH2 TIP3 4908 24.281 -0.486 -1.961 0.00 0.00 WT0 O +ATOM 7236 H1 TIP3 4908 23.491 -0.646 -1.431 0.00 0.00 WT0 H +ATOM 7237 H2 TIP3 4908 23.941 -0.176 -2.801 0.00 0.00 WT0 H +ATOM 7238 OH2 TIP3 4911 -6.701 -20.684 0.791 0.00 0.00 WT0 O +ATOM 7239 H1 TIP3 4911 -5.841 -20.814 0.401 0.00 0.00 WT0 H +ATOM 7240 H2 TIP3 4911 -7.141 -21.534 0.681 0.00 0.00 WT0 H +ATOM 7241 OH2 TIP3 4914 -0.279 6.071 -24.649 0.00 0.00 WT0 O +ATOM 7242 H1 TIP3 4914 0.651 6.251 -24.499 0.00 0.00 WT0 H +ATOM 7243 H2 TIP3 4914 -0.569 6.761 -25.239 0.00 0.00 WT0 H +ATOM 7244 OH2 TIP3 4915 16.863 2.873 0.056 0.00 0.00 WT0 O +ATOM 7245 H1 TIP3 4915 17.183 2.983 0.956 0.00 0.00 WT0 H +ATOM 7246 H2 TIP3 4915 17.363 2.143 -0.284 0.00 0.00 WT0 H +ATOM 7247 OH2 TIP3 4916 16.019 -24.525 23.977 0.00 0.00 WT0 O +ATOM 7248 H1 TIP3 4916 16.089 -23.595 23.757 0.00 0.00 WT0 H +ATOM 7249 H2 TIP3 4916 15.979 -24.975 23.127 0.00 0.00 WT0 H +ATOM 7250 OH2 TIP3 4919 -8.302 -24.965 9.341 0.00 0.00 WT0 O +ATOM 7251 H1 TIP3 4919 -7.632 -25.365 9.891 0.00 0.00 WT0 H +ATOM 7252 H2 TIP3 4919 -7.892 -24.175 8.991 0.00 0.00 WT0 H +ATOM 7253 OH2 TIP3 4922 19.903 0.982 22.047 0.00 0.00 WT0 O +ATOM 7254 H1 TIP3 4922 20.763 0.932 21.637 0.00 0.00 WT0 H +ATOM 7255 H2 TIP3 4922 19.393 1.552 21.467 0.00 0.00 WT0 H +ATOM 7256 OH2 TIP3 4924 -3.889 24.476 21.569 0.00 0.00 WT0 O +ATOM 7257 H1 TIP3 4924 -4.379 24.926 20.879 0.00 0.00 WT0 H +ATOM 7258 H2 TIP3 4924 -4.529 24.316 22.259 0.00 0.00 WT0 H +ATOM 7259 OH2 TIP3 4925 -14.122 22.890 -12.559 0.00 0.00 WT0 O +ATOM 7260 H1 TIP3 4925 -14.112 23.670 -11.999 0.00 0.00 WT0 H +ATOM 7261 H2 TIP3 4925 -14.642 22.250 -12.069 0.00 0.00 WT0 H +ATOM 7262 OH2 TIP3 4926 21.843 17.125 20.795 0.00 0.00 WT0 O +ATOM 7263 H1 TIP3 4926 21.773 16.175 20.815 0.00 0.00 WT0 H +ATOM 7264 H2 TIP3 4926 21.873 17.385 21.715 0.00 0.00 WT0 H +ATOM 7265 OH2 TIP3 4927 12.846 -0.491 12.172 0.00 0.00 WT0 O +ATOM 7266 H1 TIP3 4927 13.146 -1.361 12.432 0.00 0.00 WT0 H +ATOM 7267 H2 TIP3 4927 13.526 0.099 12.492 0.00 0.00 WT0 H +ATOM 7268 OH2 TIP3 4932 -16.446 3.505 -25.378 0.00 0.00 WT0 O +ATOM 7269 H1 TIP3 4932 -15.816 3.895 -24.778 0.00 0.00 WT0 H +ATOM 7270 H2 TIP3 4932 -17.206 3.295 -24.838 0.00 0.00 WT0 H +ATOM 7271 OH2 TIP3 4933 8.667 6.865 19.712 0.00 0.00 WT0 O +ATOM 7272 H1 TIP3 4933 8.997 7.405 20.432 0.00 0.00 WT0 H +ATOM 7273 H2 TIP3 4933 9.327 6.945 19.022 0.00 0.00 WT0 H +ATOM 7274 OH2 TIP3 4934 5.931 7.475 1.748 0.00 0.00 WT0 O +ATOM 7275 H1 TIP3 4934 5.991 8.425 1.808 0.00 0.00 WT0 H +ATOM 7276 H2 TIP3 4934 5.171 7.245 2.298 0.00 0.00 WT0 H +ATOM 7277 OH2 TIP3 4935 -11.255 -6.591 -14.454 0.00 0.00 WT0 O +ATOM 7278 H1 TIP3 4935 -10.435 -6.581 -13.964 0.00 0.00 WT0 H +ATOM 7279 H2 TIP3 4935 -11.225 -5.781 -14.964 0.00 0.00 WT0 H +ATOM 7280 OH2 TIP3 4936 -15.466 -11.807 9.483 0.00 0.00 WT0 O +ATOM 7281 H1 TIP3 4936 -16.186 -12.377 9.193 0.00 0.00 WT0 H +ATOM 7282 H2 TIP3 4936 -15.876 -11.207 10.113 0.00 0.00 WT0 H +ATOM 7283 OH2 TIP3 4937 7.294 -18.165 20.437 0.00 0.00 WT0 O +ATOM 7284 H1 TIP3 4937 7.024 -17.855 21.297 0.00 0.00 WT0 H +ATOM 7285 H2 TIP3 4937 7.674 -17.395 20.007 0.00 0.00 WT0 H +ATOM 7286 OH2 TIP3 4941 24.025 22.708 7.621 0.00 0.00 WT0 O +ATOM 7287 H1 TIP3 4941 24.465 21.908 7.881 0.00 0.00 WT0 H +ATOM 7288 H2 TIP3 4941 23.155 22.428 7.341 0.00 0.00 WT0 H +ATOM 7289 OH2 TIP3 4942 -23.836 -14.286 -3.687 0.00 0.00 WT0 O +ATOM 7290 H1 TIP3 4942 -24.496 -14.466 -3.017 0.00 0.00 WT0 H +ATOM 7291 H2 TIP3 4942 -23.126 -13.856 -3.217 0.00 0.00 WT0 H +ATOM 7292 OH2 TIP3 4944 22.557 15.821 -14.276 0.00 0.00 WT0 O +ATOM 7293 H1 TIP3 4944 22.117 15.021 -14.556 0.00 0.00 WT0 H +ATOM 7294 H2 TIP3 4944 23.407 15.781 -14.726 0.00 0.00 WT0 H +ATOM 7295 OH2 TIP3 4945 -15.409 -2.979 -8.044 0.00 0.00 WT0 O +ATOM 7296 H1 TIP3 4945 -14.939 -3.729 -7.684 0.00 0.00 WT0 H +ATOM 7297 H2 TIP3 4945 -16.269 -3.309 -8.274 0.00 0.00 WT0 H +ATOM 7298 OH2 TIP3 4947 -10.307 -4.042 20.360 0.00 0.00 WT0 O +ATOM 7299 H1 TIP3 4947 -10.547 -4.212 19.450 0.00 0.00 WT0 H +ATOM 7300 H2 TIP3 4947 -10.937 -4.532 20.880 0.00 0.00 WT0 H +ATOM 7301 OH2 TIP3 4948 -15.907 24.551 24.113 0.00 0.00 WT0 O +ATOM 7302 H1 TIP3 4948 -15.867 24.571 25.073 0.00 0.00 WT0 H +ATOM 7303 H2 TIP3 4948 -15.607 25.421 23.843 0.00 0.00 WT0 H +ATOM 7304 OH2 TIP3 4950 12.015 4.613 -12.899 0.00 0.00 WT0 O +ATOM 7305 H1 TIP3 4950 11.945 4.883 -13.819 0.00 0.00 WT0 H +ATOM 7306 H2 TIP3 4950 11.105 4.433 -12.639 0.00 0.00 WT0 H +ATOM 7307 OH2 TIP3 4951 -9.310 -8.200 4.316 0.00 0.00 WT0 O +ATOM 7308 H1 TIP3 4951 -8.960 -9.090 4.266 0.00 0.00 WT0 H +ATOM 7309 H2 TIP3 4951 -10.220 -8.290 4.016 0.00 0.00 WT0 H +ATOM 7310 OH2 TIP3 4957 -14.624 7.515 -2.876 0.00 0.00 WT0 O +ATOM 7311 H1 TIP3 4957 -14.874 6.835 -3.506 0.00 0.00 WT0 H +ATOM 7312 H2 TIP3 4957 -14.024 7.075 -2.276 0.00 0.00 WT0 H +ATOM 7313 OH2 TIP3 4961 20.774 7.747 -13.164 0.00 0.00 WT0 O +ATOM 7314 H1 TIP3 4961 20.034 7.247 -12.814 0.00 0.00 WT0 H +ATOM 7315 H2 TIP3 4961 21.214 7.137 -13.754 0.00 0.00 WT0 H +ATOM 7316 OH2 TIP3 4964 -17.772 2.595 -3.751 0.00 0.00 WT0 O +ATOM 7317 H1 TIP3 4964 -18.182 2.655 -4.611 0.00 0.00 WT0 H +ATOM 7318 H2 TIP3 4964 -18.272 3.195 -3.201 0.00 0.00 WT0 H +ATOM 7319 OH2 TIP3 4965 -3.854 1.912 24.361 0.00 0.00 WT0 O +ATOM 7320 H1 TIP3 4965 -4.704 1.492 24.301 0.00 0.00 WT0 H +ATOM 7321 H2 TIP3 4965 -3.994 2.672 24.911 0.00 0.00 WT0 H +ATOM 7322 OH2 TIP3 4966 14.160 -6.667 -21.004 0.00 0.00 WT0 O +ATOM 7323 H1 TIP3 4966 14.960 -6.407 -20.544 0.00 0.00 WT0 H +ATOM 7324 H2 TIP3 4966 13.460 -6.507 -20.374 0.00 0.00 WT0 H +ATOM 7325 OH2 TIP3 4969 -5.851 12.593 -1.245 0.00 0.00 WT0 O +ATOM 7326 H1 TIP3 4969 -5.521 13.013 -2.035 0.00 0.00 WT0 H +ATOM 7327 H2 TIP3 4969 -5.441 13.073 -0.525 0.00 0.00 WT0 H +ATOM 7328 OH2 TIP3 4971 -13.285 18.312 -10.430 0.00 0.00 WT0 O +ATOM 7329 H1 TIP3 4971 -12.535 18.022 -9.910 0.00 0.00 WT0 H +ATOM 7330 H2 TIP3 4971 -13.125 19.242 -10.580 0.00 0.00 WT0 H +ATOM 7331 OH2 TIP3 4972 1.073 20.382 -7.464 0.00 0.00 WT0 O +ATOM 7332 H1 TIP3 4972 1.503 20.662 -8.264 0.00 0.00 WT0 H +ATOM 7333 H2 TIP3 4972 1.113 19.422 -7.504 0.00 0.00 WT0 H +ATOM 7334 OH2 TIP3 4980 -2.346 -4.113 21.779 0.00 0.00 WT0 O +ATOM 7335 H1 TIP3 4980 -3.176 -4.203 21.309 0.00 0.00 WT0 H +ATOM 7336 H2 TIP3 4980 -2.296 -3.183 21.999 0.00 0.00 WT0 H +ATOM 7337 OH2 TIP3 4982 9.451 4.345 -19.484 0.00 0.00 WT0 O +ATOM 7338 H1 TIP3 4982 9.421 3.565 -20.034 0.00 0.00 WT0 H +ATOM 7339 H2 TIP3 4982 8.721 4.885 -19.794 0.00 0.00 WT0 H +ATOM 7340 OH2 TIP3 4984 11.583 11.415 -3.591 0.00 0.00 WT0 O +ATOM 7341 H1 TIP3 4984 10.673 11.685 -3.731 0.00 0.00 WT0 H +ATOM 7342 H2 TIP3 4984 11.983 11.455 -4.451 0.00 0.00 WT0 H +ATOM 7343 OH2 TIP3 4985 -16.214 11.823 6.181 0.00 0.00 WT0 O +ATOM 7344 H1 TIP3 4985 -15.504 12.163 5.651 0.00 0.00 WT0 H +ATOM 7345 H2 TIP3 4985 -15.834 11.683 7.051 0.00 0.00 WT0 H +ATOM 7346 OH2 TIP3 4986 -4.899 -4.332 -3.215 0.00 0.00 WT0 O +ATOM 7347 H1 TIP3 4986 -5.239 -4.762 -4.005 0.00 0.00 WT0 H +ATOM 7348 H2 TIP3 4986 -4.629 -3.462 -3.515 0.00 0.00 WT0 H +ATOM 7349 OH2 TIP3 4988 -9.906 -24.397 -14.918 0.00 0.00 WT0 O +ATOM 7350 H1 TIP3 4988 -10.386 -24.097 -15.688 0.00 0.00 WT0 H +ATOM 7351 H2 TIP3 4988 -8.986 -24.367 -15.168 0.00 0.00 WT0 H +ATOM 7352 OH2 TIP3 4989 -13.896 -21.439 13.455 0.00 0.00 WT0 O +ATOM 7353 H1 TIP3 4989 -14.816 -21.219 13.305 0.00 0.00 WT0 H +ATOM 7354 H2 TIP3 4989 -13.786 -22.319 13.085 0.00 0.00 WT0 H +ATOM 7355 OH2 TIP3 4991 -14.915 -7.234 -24.681 0.00 0.00 WT0 O +ATOM 7356 H1 TIP3 4991 -14.065 -6.824 -24.511 0.00 0.00 WT0 H +ATOM 7357 H2 TIP3 4991 -14.825 -8.124 -24.331 0.00 0.00 WT0 H +ATOM 7358 OH2 TIP3 4992 -15.159 9.417 -10.645 0.00 0.00 WT0 O +ATOM 7359 H1 TIP3 4992 -15.489 8.617 -10.255 0.00 0.00 WT0 H +ATOM 7360 H2 TIP3 4992 -14.279 9.517 -10.275 0.00 0.00 WT0 H +ATOM 7361 OH2 TIP3 4993 8.079 10.920 22.401 0.00 0.00 WT0 O +ATOM 7362 H1 TIP3 4993 7.169 11.000 22.131 0.00 0.00 WT0 H +ATOM 7363 H2 TIP3 4993 8.079 11.170 23.331 0.00 0.00 WT0 H +ATOM 7364 OH2 TIP3 4996 15.603 9.722 8.966 0.00 0.00 WT0 O +ATOM 7365 H1 TIP3 4996 14.803 9.272 9.236 0.00 0.00 WT0 H +ATOM 7366 H2 TIP3 4996 15.333 10.632 8.836 0.00 0.00 WT0 H +ATOM 7367 OH2 TIP3 4998 -20.146 6.641 -16.498 0.00 0.00 WT0 O +ATOM 7368 H1 TIP3 4998 -20.376 5.721 -16.598 0.00 0.00 WT0 H +ATOM 7369 H2 TIP3 4998 -19.546 6.661 -15.758 0.00 0.00 WT0 H +ATOM 7370 OH2 TIP3 5000 1.317 -17.903 20.699 0.00 0.00 WT0 O +ATOM 7371 H1 TIP3 5000 0.417 -17.623 20.519 0.00 0.00 WT0 H +ATOM 7372 H2 TIP3 5000 1.407 -18.743 20.249 0.00 0.00 WT0 H +ATOM 7373 OH2 TIP3 5001 9.780 19.415 1.836 0.00 0.00 WT0 O +ATOM 7374 H1 TIP3 5001 10.390 19.025 2.456 0.00 0.00 WT0 H +ATOM 7375 H2 TIP3 5001 8.930 19.055 2.086 0.00 0.00 WT0 H +ATOM 7376 OH2 TIP3 5002 -24.300 7.631 -14.709 0.00 0.00 WT0 O +ATOM 7377 H1 TIP3 5002 -24.520 7.581 -13.779 0.00 0.00 WT0 H +ATOM 7378 H2 TIP3 5002 -25.110 7.921 -15.129 0.00 0.00 WT0 H +ATOM 7379 OH2 TIP3 5003 9.107 22.651 5.496 0.00 0.00 WT0 O +ATOM 7380 H1 TIP3 5003 8.607 22.051 4.946 0.00 0.00 WT0 H +ATOM 7381 H2 TIP3 5003 9.677 22.091 6.016 0.00 0.00 WT0 H +ATOM 7382 OH2 TIP3 5004 18.956 15.995 -8.984 0.00 0.00 WT0 O +ATOM 7383 H1 TIP3 5004 18.086 15.915 -9.374 0.00 0.00 WT0 H +ATOM 7384 H2 TIP3 5004 19.466 16.475 -9.644 0.00 0.00 WT0 H +ATOM 7385 OH2 TIP3 5006 -13.733 16.202 -21.050 0.00 0.00 WT0 O +ATOM 7386 H1 TIP3 5006 -13.643 17.152 -21.110 0.00 0.00 WT0 H +ATOM 7387 H2 TIP3 5006 -13.033 15.932 -20.470 0.00 0.00 WT0 H +ATOM 7388 OH2 TIP3 5007 -11.437 9.192 -21.141 0.00 0.00 WT0 O +ATOM 7389 H1 TIP3 5007 -11.787 8.522 -20.551 0.00 0.00 WT0 H +ATOM 7390 H2 TIP3 5007 -10.487 9.172 -20.981 0.00 0.00 WT0 H +ATOM 7391 OH2 TIP3 5008 24.595 1.851 16.939 0.00 0.00 WT0 O +ATOM 7392 H1 TIP3 5008 25.275 1.921 16.259 0.00 0.00 WT0 H +ATOM 7393 H2 TIP3 5008 25.025 2.181 17.729 0.00 0.00 WT0 H +ATOM 7394 OH2 TIP3 5010 13.436 -5.360 4.549 0.00 0.00 WT0 O +ATOM 7395 H1 TIP3 5010 14.136 -4.800 4.879 0.00 0.00 WT0 H +ATOM 7396 H2 TIP3 5010 13.466 -6.130 5.119 0.00 0.00 WT0 H +ATOM 7397 OH2 TIP3 5012 -22.180 -25.227 -20.331 0.00 0.00 WT0 O +ATOM 7398 H1 TIP3 5012 -21.270 -25.087 -20.061 0.00 0.00 WT0 H +ATOM 7399 H2 TIP3 5012 -22.700 -24.757 -19.681 0.00 0.00 WT0 H +ATOM 7400 OH2 TIP3 5013 10.908 17.362 -9.254 0.00 0.00 WT0 O +ATOM 7401 H1 TIP3 5013 10.638 16.472 -9.474 0.00 0.00 WT0 H +ATOM 7402 H2 TIP3 5013 11.088 17.772 -10.094 0.00 0.00 WT0 H +ATOM 7403 OH2 TIP3 5019 -21.187 -16.134 3.760 0.00 0.00 WT0 O +ATOM 7404 H1 TIP3 5019 -21.677 -15.994 4.570 0.00 0.00 WT0 H +ATOM 7405 H2 TIP3 5019 -20.277 -15.934 3.980 0.00 0.00 WT0 H +ATOM 7406 OH2 TIP3 5021 -15.260 4.152 -16.017 0.00 0.00 WT0 O +ATOM 7407 H1 TIP3 5021 -16.140 4.422 -15.747 0.00 0.00 WT0 H +ATOM 7408 H2 TIP3 5021 -15.290 3.192 -15.987 0.00 0.00 WT0 H +ATOM 7409 OH2 TIP3 5023 -10.185 11.194 -17.684 0.00 0.00 WT0 O +ATOM 7410 H1 TIP3 5023 -10.925 10.704 -17.334 0.00 0.00 WT0 H +ATOM 7411 H2 TIP3 5023 -9.805 10.614 -18.344 0.00 0.00 WT0 H +ATOM 7412 OH2 TIP3 5026 4.206 5.133 18.684 0.00 0.00 WT0 O +ATOM 7413 H1 TIP3 5026 3.386 5.253 19.164 0.00 0.00 WT0 H +ATOM 7414 H2 TIP3 5026 4.776 4.663 19.294 0.00 0.00 WT0 H +ATOM 7415 OH2 TIP3 5028 -1.452 -10.217 21.577 0.00 0.00 WT0 O +ATOM 7416 H1 TIP3 5028 -1.202 -9.417 21.117 0.00 0.00 WT0 H +ATOM 7417 H2 TIP3 5028 -1.412 -10.897 20.907 0.00 0.00 WT0 H +ATOM 7418 OH2 TIP3 5029 -12.062 -3.057 -3.494 0.00 0.00 WT0 O +ATOM 7419 H1 TIP3 5029 -12.282 -3.157 -4.424 0.00 0.00 WT0 H +ATOM 7420 H2 TIP3 5029 -12.862 -2.717 -3.094 0.00 0.00 WT0 H +ATOM 7421 OH2 TIP3 5030 -0.497 7.895 -14.107 0.00 0.00 WT0 O +ATOM 7422 H1 TIP3 5030 -0.577 7.675 -15.037 0.00 0.00 WT0 H +ATOM 7423 H2 TIP3 5030 -0.267 7.075 -13.687 0.00 0.00 WT0 H +ATOM 7424 OH2 TIP3 5034 -2.612 20.669 7.519 0.00 0.00 WT0 O +ATOM 7425 H1 TIP3 5034 -2.332 21.279 6.839 0.00 0.00 WT0 H +ATOM 7426 H2 TIP3 5034 -1.872 20.059 7.609 0.00 0.00 WT0 H +ATOM 7427 OH2 TIP3 5042 1.041 -20.995 -6.288 0.00 0.00 WT0 O +ATOM 7428 H1 TIP3 5042 0.841 -21.655 -6.958 0.00 0.00 WT0 H +ATOM 7429 H2 TIP3 5042 1.971 -21.095 -6.118 0.00 0.00 WT0 H +ATOM 7430 OH2 TIP3 5043 15.035 -22.209 15.585 0.00 0.00 WT0 O +ATOM 7431 H1 TIP3 5043 14.565 -22.099 14.755 0.00 0.00 WT0 H +ATOM 7432 H2 TIP3 5043 14.755 -21.469 16.115 0.00 0.00 WT0 H +ATOM 7433 OH2 TIP3 5044 19.355 13.515 12.499 0.00 0.00 WT0 O +ATOM 7434 H1 TIP3 5044 19.585 12.715 12.029 0.00 0.00 WT0 H +ATOM 7435 H2 TIP3 5044 20.185 13.975 12.609 0.00 0.00 WT0 H +ATOM 7436 OH2 TIP3 5045 -22.994 3.073 6.804 0.00 0.00 WT0 O +ATOM 7437 H1 TIP3 5045 -22.064 3.213 6.954 0.00 0.00 WT0 H +ATOM 7438 H2 TIP3 5045 -23.284 3.853 6.324 0.00 0.00 WT0 H +ATOM 7439 OH2 TIP3 5047 7.506 -14.196 -14.220 0.00 0.00 WT0 O +ATOM 7440 H1 TIP3 5047 6.756 -14.786 -14.340 0.00 0.00 WT0 H +ATOM 7441 H2 TIP3 5047 7.806 -14.366 -13.320 0.00 0.00 WT0 H +ATOM 7442 OH2 TIP3 5048 23.178 3.009 -15.461 0.00 0.00 WT0 O +ATOM 7443 H1 TIP3 5048 23.978 3.109 -15.981 0.00 0.00 WT0 H +ATOM 7444 H2 TIP3 5048 23.428 3.309 -14.581 0.00 0.00 WT0 H +ATOM 7445 OH2 TIP3 5049 5.251 9.651 -22.057 0.00 0.00 WT0 O +ATOM 7446 H1 TIP3 5049 4.391 9.551 -21.657 0.00 0.00 WT0 H +ATOM 7447 H2 TIP3 5049 5.851 9.731 -21.317 0.00 0.00 WT0 H +ATOM 7448 OH2 TIP3 5050 -4.571 22.724 12.474 0.00 0.00 WT0 O +ATOM 7449 H1 TIP3 5050 -4.371 23.594 12.124 0.00 0.00 WT0 H +ATOM 7450 H2 TIP3 5050 -4.691 22.854 13.414 0.00 0.00 WT0 H +ATOM 7451 OH2 TIP3 5052 0.547 -25.103 10.262 0.00 0.00 WT0 O +ATOM 7452 H1 TIP3 5052 1.247 -25.403 10.842 0.00 0.00 WT0 H +ATOM 7453 H2 TIP3 5052 0.997 -24.903 9.432 0.00 0.00 WT0 H +ATOM 7454 OH2 TIP3 5053 -8.619 -14.022 -19.255 0.00 0.00 WT0 O +ATOM 7455 H1 TIP3 5053 -8.559 -13.762 -18.335 0.00 0.00 WT0 H +ATOM 7456 H2 TIP3 5053 -7.769 -13.792 -19.625 0.00 0.00 WT0 H +ATOM 7457 OH2 TIP3 5055 -22.295 -10.521 21.692 0.00 0.00 WT0 O +ATOM 7458 H1 TIP3 5055 -21.775 -10.911 20.992 0.00 0.00 WT0 H +ATOM 7459 H2 TIP3 5055 -23.185 -10.501 21.362 0.00 0.00 WT0 H +ATOM 7460 OH2 TIP3 5056 2.265 -20.483 -20.750 0.00 0.00 WT0 O +ATOM 7461 H1 TIP3 5056 3.165 -20.763 -20.940 0.00 0.00 WT0 H +ATOM 7462 H2 TIP3 5056 1.925 -21.163 -20.170 0.00 0.00 WT0 H +ATOM 7463 OH2 TIP3 5059 -3.179 8.750 -18.165 0.00 0.00 WT0 O +ATOM 7464 H1 TIP3 5059 -4.009 9.170 -17.955 0.00 0.00 WT0 H +ATOM 7465 H2 TIP3 5059 -3.409 7.830 -18.295 0.00 0.00 WT0 H +ATOM 7466 OH2 TIP3 5060 9.751 14.206 -2.736 0.00 0.00 WT0 O +ATOM 7467 H1 TIP3 5060 10.321 14.956 -2.566 0.00 0.00 WT0 H +ATOM 7468 H2 TIP3 5060 8.861 14.526 -2.606 0.00 0.00 WT0 H +ATOM 7469 OH2 TIP3 5061 -16.557 -1.777 -5.623 0.00 0.00 WT0 O +ATOM 7470 H1 TIP3 5061 -16.437 -2.257 -6.433 0.00 0.00 WT0 H +ATOM 7471 H2 TIP3 5061 -17.007 -2.397 -5.043 0.00 0.00 WT0 H +ATOM 7472 OH2 TIP3 5062 -16.892 17.094 17.438 0.00 0.00 WT0 O +ATOM 7473 H1 TIP3 5062 -16.272 17.614 16.928 0.00 0.00 WT0 H +ATOM 7474 H2 TIP3 5062 -17.692 17.614 17.448 0.00 0.00 WT0 H +ATOM 7475 OH2 TIP3 5063 -9.035 11.128 -24.013 0.00 0.00 WT0 O +ATOM 7476 H1 TIP3 5063 -8.625 11.508 -23.233 0.00 0.00 WT0 H +ATOM 7477 H2 TIP3 5063 -8.295 10.788 -24.523 0.00 0.00 WT0 H +ATOM 7478 OH2 TIP3 5064 17.847 -1.870 -15.311 0.00 0.00 WT0 O +ATOM 7479 H1 TIP3 5064 17.367 -1.530 -14.561 0.00 0.00 WT0 H +ATOM 7480 H2 TIP3 5064 17.937 -1.120 -15.901 0.00 0.00 WT0 H +ATOM 7481 OH2 TIP3 5065 -24.765 -6.390 4.997 0.00 0.00 WT0 O +ATOM 7482 H1 TIP3 5065 -24.255 -7.150 4.727 0.00 0.00 WT0 H +ATOM 7483 H2 TIP3 5065 -25.005 -5.960 4.177 0.00 0.00 WT0 H +ATOM 7484 OH2 TIP3 5066 21.403 -13.564 20.815 0.00 0.00 WT0 O +ATOM 7485 H1 TIP3 5066 21.043 -12.674 20.775 0.00 0.00 WT0 H +ATOM 7486 H2 TIP3 5066 21.943 -13.644 20.035 0.00 0.00 WT0 H +ATOM 7487 OH2 TIP3 5067 -19.035 -0.638 -3.963 0.00 0.00 WT0 O +ATOM 7488 H1 TIP3 5067 -18.545 -1.458 -3.973 0.00 0.00 WT0 H +ATOM 7489 H2 TIP3 5067 -18.475 -0.018 -4.433 0.00 0.00 WT0 H +ATOM 7490 OH2 TIP3 5068 14.627 20.209 5.624 0.00 0.00 WT0 O +ATOM 7491 H1 TIP3 5068 14.537 21.119 5.904 0.00 0.00 WT0 H +ATOM 7492 H2 TIP3 5068 15.477 20.169 5.194 0.00 0.00 WT0 H +ATOM 7493 OH2 TIP3 5069 -12.791 -6.404 16.085 0.00 0.00 WT0 O +ATOM 7494 H1 TIP3 5069 -12.431 -6.224 15.215 0.00 0.00 WT0 H +ATOM 7495 H2 TIP3 5069 -13.561 -5.834 16.145 0.00 0.00 WT0 H +ATOM 7496 OH2 TIP3 5071 -13.606 -17.821 4.926 0.00 0.00 WT0 O +ATOM 7497 H1 TIP3 5071 -13.946 -18.701 5.066 0.00 0.00 WT0 H +ATOM 7498 H2 TIP3 5071 -13.446 -17.481 5.816 0.00 0.00 WT0 H +ATOM 7499 OH2 TIP3 5073 15.356 2.089 -16.428 0.00 0.00 WT0 O +ATOM 7500 H1 TIP3 5073 14.596 2.389 -16.928 0.00 0.00 WT0 H +ATOM 7501 H2 TIP3 5073 15.686 2.889 -16.008 0.00 0.00 WT0 H +ATOM 7502 OH2 TIP3 5075 6.250 4.254 -16.489 0.00 0.00 WT0 O +ATOM 7503 H1 TIP3 5075 6.720 4.144 -17.309 0.00 0.00 WT0 H +ATOM 7504 H2 TIP3 5075 6.710 4.964 -16.029 0.00 0.00 WT0 H +ATOM 7505 OH2 TIP3 5079 -18.145 -23.480 14.659 0.00 0.00 WT0 O +ATOM 7506 H1 TIP3 5079 -18.385 -24.380 14.449 0.00 0.00 WT0 H +ATOM 7507 H2 TIP3 5079 -18.925 -22.970 14.429 0.00 0.00 WT0 H +ATOM 7508 OH2 TIP3 5085 -13.452 2.744 14.209 0.00 0.00 WT0 O +ATOM 7509 H1 TIP3 5085 -14.092 2.774 14.919 0.00 0.00 WT0 H +ATOM 7510 H2 TIP3 5085 -12.722 3.264 14.519 0.00 0.00 WT0 H +ATOM 7511 OH2 TIP3 5086 -2.063 13.654 -20.973 0.00 0.00 WT0 O +ATOM 7512 H1 TIP3 5086 -1.863 13.994 -21.843 0.00 0.00 WT0 H +ATOM 7513 H2 TIP3 5086 -2.223 14.424 -20.443 0.00 0.00 WT0 H +ATOM 7514 OH2 TIP3 5087 15.247 23.511 18.857 0.00 0.00 WT0 O +ATOM 7515 H1 TIP3 5087 15.607 24.321 18.507 0.00 0.00 WT0 H +ATOM 7516 H2 TIP3 5087 15.217 23.651 19.807 0.00 0.00 WT0 H +ATOM 7517 OH2 TIP3 5088 21.719 -0.262 20.085 0.00 0.00 WT0 O +ATOM 7518 H1 TIP3 5088 21.309 -1.122 19.945 0.00 0.00 WT0 H +ATOM 7519 H2 TIP3 5088 22.439 -0.232 19.455 0.00 0.00 WT0 H +ATOM 7520 OH2 TIP3 5089 20.437 19.740 -23.728 0.00 0.00 WT0 O +ATOM 7521 H1 TIP3 5089 20.607 20.580 -24.168 0.00 0.00 WT0 H +ATOM 7522 H2 TIP3 5089 20.297 19.120 -24.448 0.00 0.00 WT0 H +ATOM 7523 OH2 TIP3 5090 7.936 0.231 -3.884 0.00 0.00 WT0 O +ATOM 7524 H1 TIP3 5090 8.786 0.671 -3.954 0.00 0.00 WT0 H +ATOM 7525 H2 TIP3 5090 8.136 -0.629 -3.534 0.00 0.00 WT0 H +ATOM 7526 OH2 TIP3 5091 -6.910 13.851 -12.110 0.00 0.00 WT0 O +ATOM 7527 H1 TIP3 5091 -7.750 14.301 -12.260 0.00 0.00 WT0 H +ATOM 7528 H2 TIP3 5091 -7.110 13.211 -11.420 0.00 0.00 WT0 H +ATOM 7529 OH2 TIP3 5092 22.885 -22.101 22.113 0.00 0.00 WT0 O +ATOM 7530 H1 TIP3 5092 23.335 -22.871 22.453 0.00 0.00 WT0 H +ATOM 7531 H2 TIP3 5092 22.815 -22.261 21.173 0.00 0.00 WT0 H +ATOM 7532 OH2 TIP3 5093 -2.935 -19.733 -22.895 0.00 0.00 WT0 O +ATOM 7533 H1 TIP3 5093 -2.355 -20.303 -22.395 0.00 0.00 WT0 H +ATOM 7534 H2 TIP3 5093 -2.405 -18.953 -23.075 0.00 0.00 WT0 H +ATOM 7535 OH2 TIP3 5094 -12.995 9.565 -3.881 0.00 0.00 WT0 O +ATOM 7536 H1 TIP3 5094 -13.185 8.715 -3.491 0.00 0.00 WT0 H +ATOM 7537 H2 TIP3 5094 -12.205 9.865 -3.421 0.00 0.00 WT0 H +ATOM 7538 OH2 TIP3 5095 18.518 -23.791 -8.684 0.00 0.00 WT0 O +ATOM 7539 H1 TIP3 5095 18.978 -24.631 -8.704 0.00 0.00 WT0 H +ATOM 7540 H2 TIP3 5095 17.848 -23.901 -8.014 0.00 0.00 WT0 H +ATOM 7541 OH2 TIP3 5097 -1.833 -21.226 -18.081 0.00 0.00 WT0 O +ATOM 7542 H1 TIP3 5097 -1.853 -21.316 -19.031 0.00 0.00 WT0 H +ATOM 7543 H2 TIP3 5097 -1.713 -22.116 -17.751 0.00 0.00 WT0 H +ATOM 7544 OH2 TIP3 5099 18.651 0.398 -23.072 0.00 0.00 WT0 O +ATOM 7545 H1 TIP3 5099 17.971 -0.242 -22.862 0.00 0.00 WT0 H +ATOM 7546 H2 TIP3 5099 18.311 0.868 -23.842 0.00 0.00 WT0 H +ATOM 7547 OH2 TIP3 5104 -7.625 -22.562 -4.926 0.00 0.00 WT0 O +ATOM 7548 H1 TIP3 5104 -6.805 -22.872 -5.296 0.00 0.00 WT0 H +ATOM 7549 H2 TIP3 5104 -7.775 -23.132 -4.166 0.00 0.00 WT0 H +ATOM 7550 OH2 TIP3 5106 7.778 19.351 20.070 0.00 0.00 WT0 O +ATOM 7551 H1 TIP3 5106 8.358 19.791 19.460 0.00 0.00 WT0 H +ATOM 7552 H2 TIP3 5106 7.538 18.531 19.630 0.00 0.00 WT0 H +ATOM 7553 OH2 TIP3 5108 16.388 23.398 9.551 0.00 0.00 WT0 O +ATOM 7554 H1 TIP3 5108 17.298 23.338 9.241 0.00 0.00 WT0 H +ATOM 7555 H2 TIP3 5108 16.068 24.218 9.191 0.00 0.00 WT0 H +ATOM 7556 OH2 TIP3 5109 22.644 -5.541 23.840 0.00 0.00 WT0 O +ATOM 7557 H1 TIP3 5109 23.374 -4.961 24.030 0.00 0.00 WT0 H +ATOM 7558 H2 TIP3 5109 22.494 -6.021 24.660 0.00 0.00 WT0 H +ATOM 7559 OH2 TIP3 5110 -1.834 14.254 6.911 0.00 0.00 WT0 O +ATOM 7560 H1 TIP3 5110 -1.964 15.134 7.281 0.00 0.00 WT0 H +ATOM 7561 H2 TIP3 5110 -2.694 14.014 6.561 0.00 0.00 WT0 H +ATOM 7562 OH2 TIP3 5111 -19.032 -0.947 3.596 0.00 0.00 WT0 O +ATOM 7563 H1 TIP3 5111 -19.642 -1.457 3.076 0.00 0.00 WT0 H +ATOM 7564 H2 TIP3 5111 -19.422 -0.067 3.636 0.00 0.00 WT0 H +ATOM 7565 OH2 TIP3 5112 -11.207 7.591 -16.258 0.00 0.00 WT0 O +ATOM 7566 H1 TIP3 5112 -12.007 7.891 -15.828 0.00 0.00 WT0 H +ATOM 7567 H2 TIP3 5112 -10.957 6.811 -15.768 0.00 0.00 WT0 H +ATOM 7568 OH2 TIP3 5114 7.149 -0.550 11.966 0.00 0.00 WT0 O +ATOM 7569 H1 TIP3 5114 7.019 -0.970 11.116 0.00 0.00 WT0 H +ATOM 7570 H2 TIP3 5114 7.989 -0.890 12.276 0.00 0.00 WT0 H +ATOM 7571 OH2 TIP3 5116 -0.091 -6.459 21.231 0.00 0.00 WT0 O +ATOM 7572 H1 TIP3 5116 0.079 -6.449 22.171 0.00 0.00 WT0 H +ATOM 7573 H2 TIP3 5116 0.759 -6.289 20.821 0.00 0.00 WT0 H +ATOM 7574 OH2 TIP3 5117 -1.581 18.357 -23.858 0.00 0.00 WT0 O +ATOM 7575 H1 TIP3 5117 -1.151 18.087 -23.048 0.00 0.00 WT0 H +ATOM 7576 H2 TIP3 5117 -2.451 18.647 -23.578 0.00 0.00 WT0 H +ATOM 7577 OH2 TIP3 5118 -22.230 -7.689 -14.916 0.00 0.00 WT0 O +ATOM 7578 H1 TIP3 5118 -22.350 -8.579 -15.256 0.00 0.00 WT0 H +ATOM 7579 H2 TIP3 5118 -21.360 -7.699 -14.526 0.00 0.00 WT0 H +ATOM 7580 OH2 TIP3 5119 -5.194 12.489 2.019 0.00 0.00 WT0 O +ATOM 7581 H1 TIP3 5119 -6.144 12.389 1.969 0.00 0.00 WT0 H +ATOM 7582 H2 TIP3 5119 -4.914 11.849 2.679 0.00 0.00 WT0 H +ATOM 7583 OH2 TIP3 5121 2.429 8.698 -19.124 0.00 0.00 WT0 O +ATOM 7584 H1 TIP3 5121 2.399 7.918 -18.564 0.00 0.00 WT0 H +ATOM 7585 H2 TIP3 5121 1.589 9.128 -18.964 0.00 0.00 WT0 H +ATOM 7586 OH2 TIP3 5125 -7.895 -24.695 1.168 0.00 0.00 WT0 O +ATOM 7587 H1 TIP3 5125 -8.585 -25.075 1.718 0.00 0.00 WT0 H +ATOM 7588 H2 TIP3 5125 -8.015 -23.755 1.258 0.00 0.00 WT0 H +ATOM 7589 OH2 TIP3 5127 -3.271 -24.298 -12.401 0.00 0.00 WT0 O +ATOM 7590 H1 TIP3 5127 -3.531 -24.578 -11.521 0.00 0.00 WT0 H +ATOM 7591 H2 TIP3 5127 -2.331 -24.478 -12.441 0.00 0.00 WT0 H +ATOM 7592 OH2 TIP3 5130 -2.426 -11.170 4.883 0.00 0.00 WT0 O +ATOM 7593 H1 TIP3 5130 -2.346 -10.780 4.013 0.00 0.00 WT0 H +ATOM 7594 H2 TIP3 5130 -3.306 -10.910 5.173 0.00 0.00 WT0 H +ATOM 7595 OH2 TIP3 5131 12.500 11.205 -6.655 0.00 0.00 WT0 O +ATOM 7596 H1 TIP3 5131 12.190 11.415 -7.545 0.00 0.00 WT0 H +ATOM 7597 H2 TIP3 5131 12.560 10.255 -6.645 0.00 0.00 WT0 H +ATOM 7598 OH2 TIP3 5134 4.025 8.780 -5.158 0.00 0.00 WT0 O +ATOM 7599 H1 TIP3 5134 4.135 8.360 -4.308 0.00 0.00 WT0 H +ATOM 7600 H2 TIP3 5134 3.815 9.690 -4.948 0.00 0.00 WT0 H +ATOM 7601 OH2 TIP3 5135 22.280 12.511 -9.814 0.00 0.00 WT0 O +ATOM 7602 H1 TIP3 5135 23.020 13.111 -9.754 0.00 0.00 WT0 H +ATOM 7603 H2 TIP3 5135 21.540 12.991 -9.434 0.00 0.00 WT0 H +ATOM 7604 OH2 TIP3 5136 -3.766 5.777 -25.284 0.00 0.00 WT0 O +ATOM 7605 H1 TIP3 5136 -3.886 6.547 -25.844 0.00 0.00 WT0 H +ATOM 7606 H2 TIP3 5136 -3.016 5.997 -24.734 0.00 0.00 WT0 H +ATOM 7607 OH2 TIP3 5137 -19.896 -19.246 -1.288 0.00 0.00 WT0 O +ATOM 7608 H1 TIP3 5137 -19.796 -19.436 -2.218 0.00 0.00 WT0 H +ATOM 7609 H2 TIP3 5137 -19.846 -18.296 -1.218 0.00 0.00 WT0 H +ATOM 7610 OH2 TIP3 5138 16.607 -22.682 -17.978 0.00 0.00 WT0 O +ATOM 7611 H1 TIP3 5138 16.117 -23.412 -17.598 0.00 0.00 WT0 H +ATOM 7612 H2 TIP3 5138 17.437 -22.682 -17.518 0.00 0.00 WT0 H +ATOM 7613 OH2 TIP3 5140 13.645 -19.668 12.635 0.00 0.00 WT0 O +ATOM 7614 H1 TIP3 5140 12.915 -19.168 12.995 0.00 0.00 WT0 H +ATOM 7615 H2 TIP3 5140 13.235 -20.248 11.995 0.00 0.00 WT0 H +ATOM 7616 OH2 TIP3 5146 17.731 23.505 -11.028 0.00 0.00 WT0 O +ATOM 7617 H1 TIP3 5146 17.381 22.775 -10.518 0.00 0.00 WT0 H +ATOM 7618 H2 TIP3 5146 18.681 23.395 -10.998 0.00 0.00 WT0 H +ATOM 7619 OH2 TIP3 5149 -22.757 -1.898 -24.325 0.00 0.00 WT0 O +ATOM 7620 H1 TIP3 5149 -22.037 -1.828 -23.695 0.00 0.00 WT0 H +ATOM 7621 H2 TIP3 5149 -23.437 -1.318 -23.965 0.00 0.00 WT0 H +ATOM 7622 OH2 TIP3 5151 12.228 15.067 2.249 0.00 0.00 WT0 O +ATOM 7623 H1 TIP3 5151 12.588 15.387 3.069 0.00 0.00 WT0 H +ATOM 7624 H2 TIP3 5151 12.978 14.977 1.669 0.00 0.00 WT0 H +ATOM 7625 OH2 TIP3 5152 -2.750 17.903 -12.625 0.00 0.00 WT0 O +ATOM 7626 H1 TIP3 5152 -3.070 17.353 -13.345 0.00 0.00 WT0 H +ATOM 7627 H2 TIP3 5152 -3.080 17.483 -11.835 0.00 0.00 WT0 H +ATOM 7628 OH2 TIP3 5153 15.061 14.128 4.339 0.00 0.00 WT0 O +ATOM 7629 H1 TIP3 5153 14.631 13.298 4.169 0.00 0.00 WT0 H +ATOM 7630 H2 TIP3 5153 15.701 13.938 5.029 0.00 0.00 WT0 H +ATOM 7631 OH2 TIP3 5154 16.125 18.947 21.731 0.00 0.00 WT0 O +ATOM 7632 H1 TIP3 5154 17.055 18.727 21.681 0.00 0.00 WT0 H +ATOM 7633 H2 TIP3 5154 16.015 19.687 21.131 0.00 0.00 WT0 H +ATOM 7634 OH2 TIP3 5155 15.224 -2.377 0.484 0.00 0.00 WT0 O +ATOM 7635 H1 TIP3 5155 15.944 -1.837 0.804 0.00 0.00 WT0 H +ATOM 7636 H2 TIP3 5155 15.194 -2.207 -0.456 0.00 0.00 WT0 H +ATOM 7637 OH2 TIP3 5157 3.103 -9.578 -0.365 0.00 0.00 WT0 O +ATOM 7638 H1 TIP3 5157 2.413 -10.198 -0.615 0.00 0.00 WT0 H +ATOM 7639 H2 TIP3 5157 3.163 -9.658 0.585 0.00 0.00 WT0 H +ATOM 7640 OH2 TIP3 5158 10.941 -14.789 7.516 0.00 0.00 WT0 O +ATOM 7641 H1 TIP3 5158 10.961 -15.749 7.576 0.00 0.00 WT0 H +ATOM 7642 H2 TIP3 5158 11.851 -14.539 7.396 0.00 0.00 WT0 H +ATOM 7643 OH2 TIP3 5161 -2.224 8.771 17.584 0.00 0.00 WT0 O +ATOM 7644 H1 TIP3 5161 -2.794 9.531 17.484 0.00 0.00 WT0 H +ATOM 7645 H2 TIP3 5161 -1.474 9.101 18.074 0.00 0.00 WT0 H +ATOM 7646 OH2 TIP3 5162 -9.103 -3.364 2.846 0.00 0.00 WT0 O +ATOM 7647 H1 TIP3 5162 -9.673 -3.704 3.526 0.00 0.00 WT0 H +ATOM 7648 H2 TIP3 5162 -9.673 -2.844 2.276 0.00 0.00 WT0 H +ATOM 7649 OH2 TIP3 5164 23.937 -16.012 1.256 0.00 0.00 WT0 O +ATOM 7650 H1 TIP3 5164 23.497 -16.042 2.106 0.00 0.00 WT0 H +ATOM 7651 H2 TIP3 5164 24.547 -16.742 1.266 0.00 0.00 WT0 H +ATOM 7652 OH2 TIP3 5165 16.426 10.174 4.787 0.00 0.00 WT0 O +ATOM 7653 H1 TIP3 5165 16.126 9.404 5.277 0.00 0.00 WT0 H +ATOM 7654 H2 TIP3 5165 16.066 10.054 3.917 0.00 0.00 WT0 H +ATOM 7655 OH2 TIP3 5166 23.437 -18.740 24.547 0.00 0.00 WT0 O +ATOM 7656 H1 TIP3 5166 22.927 -18.950 23.757 0.00 0.00 WT0 H +ATOM 7657 H2 TIP3 5166 23.467 -19.570 25.027 0.00 0.00 WT0 H +ATOM 7658 OH2 TIP3 5173 17.177 -23.451 14.465 0.00 0.00 WT0 O +ATOM 7659 H1 TIP3 5173 16.307 -23.321 14.835 0.00 0.00 WT0 H +ATOM 7660 H2 TIP3 5173 17.347 -24.391 14.565 0.00 0.00 WT0 H +ATOM 7661 OH2 TIP3 5176 -11.656 -3.302 -6.358 0.00 0.00 WT0 O +ATOM 7662 H1 TIP3 5176 -11.056 -3.952 -5.998 0.00 0.00 WT0 H +ATOM 7663 H2 TIP3 5176 -12.246 -3.802 -6.928 0.00 0.00 WT0 H +ATOM 7664 OH2 TIP3 5181 -8.989 12.993 10.629 0.00 0.00 WT0 O +ATOM 7665 H1 TIP3 5181 -9.159 12.213 10.109 0.00 0.00 WT0 H +ATOM 7666 H2 TIP3 5181 -9.289 12.763 11.509 0.00 0.00 WT0 H +ATOM 7667 OH2 TIP3 5182 -17.163 -6.039 -14.455 0.00 0.00 WT0 O +ATOM 7668 H1 TIP3 5182 -17.443 -6.909 -14.755 0.00 0.00 WT0 H +ATOM 7669 H2 TIP3 5182 -17.433 -5.999 -13.545 0.00 0.00 WT0 H +ATOM 7670 OH2 TIP3 5190 -5.599 -12.900 13.081 0.00 0.00 WT0 O +ATOM 7671 H1 TIP3 5190 -5.719 -12.030 12.711 0.00 0.00 WT0 H +ATOM 7672 H2 TIP3 5190 -5.329 -13.440 12.341 0.00 0.00 WT0 H +ATOM 7673 OH2 TIP3 5196 -19.531 10.065 20.055 0.00 0.00 WT0 O +ATOM 7674 H1 TIP3 5196 -18.991 9.395 19.625 0.00 0.00 WT0 H +ATOM 7675 H2 TIP3 5196 -19.461 10.835 19.485 0.00 0.00 WT0 H +ATOM 7676 OH2 TIP3 5218 10.437 -14.422 -15.785 0.00 0.00 WT0 O +ATOM 7677 H1 TIP3 5218 9.487 -14.402 -15.825 0.00 0.00 WT0 H +ATOM 7678 H2 TIP3 5218 10.707 -13.512 -15.925 0.00 0.00 WT0 H +ATOM 7679 OH2 TIP3 5221 9.591 20.591 -16.998 0.00 0.00 WT0 O +ATOM 7680 H1 TIP3 5221 8.861 20.261 -17.508 0.00 0.00 WT0 H +ATOM 7681 H2 TIP3 5221 9.751 21.461 -17.348 0.00 0.00 WT0 H +ATOM 7682 OH2 TIP3 5234 15.575 22.511 -5.828 0.00 0.00 WT0 O +ATOM 7683 H1 TIP3 5234 15.155 21.741 -5.458 0.00 0.00 WT0 H +ATOM 7684 H2 TIP3 5234 16.245 22.751 -5.188 0.00 0.00 WT0 H +ATOM 7685 OH2 TIP3 5241 -23.596 -12.594 19.781 0.00 0.00 WT0 O +ATOM 7686 H1 TIP3 5241 -24.056 -13.324 19.361 0.00 0.00 WT0 H +ATOM 7687 H2 TIP3 5241 -23.406 -11.984 19.071 0.00 0.00 WT0 H +ATOM 7688 OH2 TIP3 5242 18.996 3.784 -2.124 0.00 0.00 WT0 O +ATOM 7689 H1 TIP3 5242 19.526 3.144 -1.634 0.00 0.00 WT0 H +ATOM 7690 H2 TIP3 5242 18.136 3.384 -2.184 0.00 0.00 WT0 H +ATOM 7691 OH2 TIP3 5251 22.963 1.125 1.506 0.00 0.00 WT0 O +ATOM 7692 H1 TIP3 5251 22.613 0.245 1.346 0.00 0.00 WT0 H +ATOM 7693 H2 TIP3 5251 23.143 1.145 2.446 0.00 0.00 WT0 H +ATOM 7694 OH2 TIP3 5253 11.005 -8.735 24.832 0.00 0.00 WT0 O +ATOM 7695 H1 TIP3 5253 10.765 -8.125 24.132 0.00 0.00 WT0 H +ATOM 7696 H2 TIP3 5253 11.055 -9.585 24.392 0.00 0.00 WT0 H +ATOM 7697 OH2 TIP3 5259 11.475 4.729 2.337 0.00 0.00 WT0 O +ATOM 7698 H1 TIP3 5259 12.275 4.599 1.817 0.00 0.00 WT0 H +ATOM 7699 H2 TIP3 5259 11.305 5.669 2.287 0.00 0.00 WT0 H +ATOM 7700 OH2 TIP3 5260 -1.681 19.610 24.269 0.00 0.00 WT0 O +ATOM 7701 H1 TIP3 5260 -2.601 19.460 24.079 0.00 0.00 WT0 H +ATOM 7702 H2 TIP3 5260 -1.601 19.530 25.219 0.00 0.00 WT0 H +ATOM 7703 OH2 TIP3 5263 -17.520 -16.296 19.389 0.00 0.00 WT0 O +ATOM 7704 H1 TIP3 5263 -17.690 -17.196 19.669 0.00 0.00 WT0 H +ATOM 7705 H2 TIP3 5263 -18.040 -15.756 19.999 0.00 0.00 WT0 H +ATOM 7706 OH2 TIP3 5264 3.770 -6.583 20.152 0.00 0.00 WT0 O +ATOM 7707 H1 TIP3 5264 3.740 -7.273 19.492 0.00 0.00 WT0 H +ATOM 7708 H2 TIP3 5264 4.680 -6.563 20.442 0.00 0.00 WT0 H +ATOM 7709 OH2 TIP3 5266 -11.215 18.160 -8.659 0.00 0.00 WT0 O +ATOM 7710 H1 TIP3 5266 -10.955 17.240 -8.789 0.00 0.00 WT0 H +ATOM 7711 H2 TIP3 5266 -11.155 18.290 -7.719 0.00 0.00 WT0 H +ATOM 7712 OH2 TIP3 5267 -24.865 -16.761 -12.518 0.00 0.00 WT0 O +ATOM 7713 H1 TIP3 5267 -24.385 -16.331 -13.228 0.00 0.00 WT0 H +ATOM 7714 H2 TIP3 5267 -25.785 -16.751 -12.808 0.00 0.00 WT0 H +ATOM 7715 OH2 TIP3 5271 0.810 20.721 3.463 0.00 0.00 WT0 O +ATOM 7716 H1 TIP3 5271 1.170 21.201 2.713 0.00 0.00 WT0 H +ATOM 7717 H2 TIP3 5271 -0.130 20.911 3.433 0.00 0.00 WT0 H +ATOM 7718 OH2 TIP3 5272 -12.385 18.911 -16.845 0.00 0.00 WT0 O +ATOM 7719 H1 TIP3 5272 -13.085 18.291 -17.035 0.00 0.00 WT0 H +ATOM 7720 H2 TIP3 5272 -11.885 18.961 -17.655 0.00 0.00 WT0 H +ATOM 7721 OH2 TIP3 5284 -16.063 8.883 -13.325 0.00 0.00 WT0 O +ATOM 7722 H1 TIP3 5284 -15.503 9.193 -12.615 0.00 0.00 WT0 H +ATOM 7723 H2 TIP3 5284 -16.043 9.583 -13.975 0.00 0.00 WT0 H +ATOM 7724 OH2 TIP3 5285 -14.564 16.367 -4.167 0.00 0.00 WT0 O +ATOM 7725 H1 TIP3 5285 -15.474 16.187 -3.937 0.00 0.00 WT0 H +ATOM 7726 H2 TIP3 5285 -14.174 16.697 -3.357 0.00 0.00 WT0 H +ATOM 7727 OH2 TIP3 5296 0.761 24.763 5.455 0.00 0.00 WT0 O +ATOM 7728 H1 TIP3 5296 0.041 24.963 6.065 0.00 0.00 WT0 H +ATOM 7729 H2 TIP3 5296 0.321 24.543 4.635 0.00 0.00 WT0 H +ATOM 7730 OH2 TIP3 5298 19.084 -24.152 20.153 0.00 0.00 WT0 O +ATOM 7731 H1 TIP3 5298 19.104 -23.232 19.903 0.00 0.00 WT0 H +ATOM 7732 H2 TIP3 5298 18.784 -24.142 21.063 0.00 0.00 WT0 H +ATOM 7733 OH2 TIP3 5302 15.233 -15.244 14.542 0.00 0.00 WT0 O +ATOM 7734 H1 TIP3 5302 15.963 -15.604 15.042 0.00 0.00 WT0 H +ATOM 7735 H2 TIP3 5302 15.393 -14.294 14.542 0.00 0.00 WT0 H +ATOM 7736 OH2 TIP3 5304 19.443 11.232 8.328 0.00 0.00 WT0 O +ATOM 7737 H1 TIP3 5304 18.993 10.652 8.938 0.00 0.00 WT0 H +ATOM 7738 H2 TIP3 5304 18.933 11.162 7.518 0.00 0.00 WT0 H +ATOM 7739 OH2 TIP3 5306 21.284 -16.846 -24.633 0.00 0.00 WT0 O +ATOM 7740 H1 TIP3 5306 21.764 -17.576 -25.033 0.00 0.00 WT0 H +ATOM 7741 H2 TIP3 5306 21.024 -16.306 -25.373 0.00 0.00 WT0 H +ATOM 7742 OH2 TIP3 5317 14.966 -17.980 -3.794 0.00 0.00 WT0 O +ATOM 7743 H1 TIP3 5317 15.426 -17.150 -3.644 0.00 0.00 WT0 H +ATOM 7744 H2 TIP3 5317 14.326 -17.780 -4.474 0.00 0.00 WT0 H +ATOM 7745 OH2 TIP3 5318 -4.881 6.993 1.863 0.00 0.00 WT0 O +ATOM 7746 H1 TIP3 5318 -4.111 6.953 1.293 0.00 0.00 WT0 H +ATOM 7747 H2 TIP3 5318 -5.591 7.243 1.273 0.00 0.00 WT0 H +ATOM 7748 OH2 TIP3 5319 -14.124 -18.540 -25.399 0.00 0.00 WT0 O +ATOM 7749 H1 TIP3 5319 -13.604 -17.770 -25.159 0.00 0.00 WT0 H +ATOM 7750 H2 TIP3 5319 -14.334 -18.960 -24.569 0.00 0.00 WT0 H +ATOM 7751 OH2 TIP3 5320 -6.510 -23.427 -11.785 0.00 0.00 WT0 O +ATOM 7752 H1 TIP3 5320 -5.900 -22.707 -11.915 0.00 0.00 WT0 H +ATOM 7753 H2 TIP3 5320 -7.380 -23.027 -11.825 0.00 0.00 WT0 H +ATOM 7754 OH2 TIP3 5322 22.997 7.545 11.659 0.00 0.00 WT0 O +ATOM 7755 H1 TIP3 5322 23.857 7.715 11.269 0.00 0.00 WT0 H +ATOM 7756 H2 TIP3 5322 23.187 7.345 12.579 0.00 0.00 WT0 H +ATOM 7757 OH2 TIP3 5323 10.311 0.825 -13.614 0.00 0.00 WT0 O +ATOM 7758 H1 TIP3 5323 10.511 1.705 -13.944 0.00 0.00 WT0 H +ATOM 7759 H2 TIP3 5323 10.981 0.655 -12.944 0.00 0.00 WT0 H +ATOM 7760 OH2 TIP3 5325 -12.676 -12.216 11.467 0.00 0.00 WT0 O +ATOM 7761 H1 TIP3 5325 -13.446 -11.646 11.417 0.00 0.00 WT0 H +ATOM 7762 H2 TIP3 5325 -12.326 -12.226 10.577 0.00 0.00 WT0 H +ATOM 7763 OH2 TIP3 5327 10.226 -23.587 -6.144 0.00 0.00 WT0 O +ATOM 7764 H1 TIP3 5327 10.566 -22.707 -5.954 0.00 0.00 WT0 H +ATOM 7765 H2 TIP3 5327 10.986 -24.167 -6.024 0.00 0.00 WT0 H +ATOM 7766 OH2 TIP3 5341 2.758 -22.244 -9.706 0.00 0.00 WT0 O +ATOM 7767 H1 TIP3 5341 3.288 -21.454 -9.776 0.00 0.00 WT0 H +ATOM 7768 H2 TIP3 5341 1.968 -22.044 -10.216 0.00 0.00 WT0 H +ATOM 7769 OH2 TIP3 5343 -14.109 -10.037 -13.847 0.00 0.00 WT0 O +ATOM 7770 H1 TIP3 5343 -15.019 -10.317 -13.857 0.00 0.00 WT0 H +ATOM 7771 H2 TIP3 5343 -14.009 -9.507 -14.637 0.00 0.00 WT0 H +ATOM 7772 OH2 TIP3 5344 -21.484 -14.585 -20.147 0.00 0.00 WT0 O +ATOM 7773 H1 TIP3 5344 -21.114 -14.395 -19.277 0.00 0.00 WT0 H +ATOM 7774 H2 TIP3 5344 -21.974 -15.395 -20.027 0.00 0.00 WT0 H +ATOM 7775 OH2 TIP3 5348 4.037 23.112 -3.008 0.00 0.00 WT0 O +ATOM 7776 H1 TIP3 5348 3.877 22.402 -2.388 0.00 0.00 WT0 H +ATOM 7777 H2 TIP3 5348 4.787 22.812 -3.528 0.00 0.00 WT0 H +ATOM 7778 OH2 TIP3 5349 -14.775 -21.159 -11.114 0.00 0.00 WT0 O +ATOM 7779 H1 TIP3 5349 -14.845 -20.289 -10.724 0.00 0.00 WT0 H +ATOM 7780 H2 TIP3 5349 -15.355 -21.709 -10.594 0.00 0.00 WT0 H +ATOM 7781 OH2 TIP3 5350 7.806 -2.598 20.367 0.00 0.00 WT0 O +ATOM 7782 H1 TIP3 5350 7.906 -2.418 19.427 0.00 0.00 WT0 H +ATOM 7783 H2 TIP3 5350 7.596 -3.528 20.397 0.00 0.00 WT0 H +ATOM 7784 OH2 TIP3 5355 10.756 -20.310 -22.961 0.00 0.00 WT0 O +ATOM 7785 H1 TIP3 5355 10.296 -21.040 -22.561 0.00 0.00 WT0 H +ATOM 7786 H2 TIP3 5355 11.206 -20.680 -23.721 0.00 0.00 WT0 H +ATOM 7787 OH2 TIP3 5356 -10.614 11.124 -11.435 0.00 0.00 WT0 O +ATOM 7788 H1 TIP3 5356 -10.164 11.884 -11.815 0.00 0.00 WT0 H +ATOM 7789 H2 TIP3 5356 -11.514 11.194 -11.755 0.00 0.00 WT0 H +ATOM 7790 OH2 TIP3 5357 -5.629 2.523 9.607 0.00 0.00 WT0 O +ATOM 7791 H1 TIP3 5357 -5.389 1.733 9.117 0.00 0.00 WT0 H +ATOM 7792 H2 TIP3 5357 -5.989 2.193 10.427 0.00 0.00 WT0 H +ATOM 7793 OH2 TIP3 5358 20.093 13.024 1.429 0.00 0.00 WT0 O +ATOM 7794 H1 TIP3 5358 20.793 12.364 1.449 0.00 0.00 WT0 H +ATOM 7795 H2 TIP3 5358 19.553 12.814 2.189 0.00 0.00 WT0 H +ATOM 7796 OH2 TIP3 5360 8.141 4.380 14.105 0.00 0.00 WT0 O +ATOM 7797 H1 TIP3 5360 7.951 4.270 13.175 0.00 0.00 WT0 H +ATOM 7798 H2 TIP3 5360 7.351 4.790 14.455 0.00 0.00 WT0 H +ATOM 7799 OH2 TIP3 5365 23.227 22.251 -14.573 0.00 0.00 WT0 O +ATOM 7800 H1 TIP3 5365 23.477 22.961 -15.173 0.00 0.00 WT0 H +ATOM 7801 H2 TIP3 5365 24.047 21.811 -14.373 0.00 0.00 WT0 H +ATOM 7802 OH2 TIP3 5366 -20.649 -10.873 24.923 0.00 0.00 WT0 O +ATOM 7803 H1 TIP3 5366 -19.889 -10.703 25.483 0.00 0.00 WT0 H +ATOM 7804 H2 TIP3 5366 -20.479 -10.373 24.123 0.00 0.00 WT0 H +ATOM 7805 OH2 TIP3 5368 -19.000 1.743 24.530 0.00 0.00 WT0 O +ATOM 7806 H1 TIP3 5368 -18.100 1.433 24.460 0.00 0.00 WT0 H +ATOM 7807 H2 TIP3 5368 -19.440 1.063 25.050 0.00 0.00 WT0 H +ATOM 7808 OH2 TIP3 5369 19.501 24.189 -7.491 0.00 0.00 WT0 O +ATOM 7809 H1 TIP3 5369 19.641 24.159 -6.541 0.00 0.00 WT0 H +ATOM 7810 H2 TIP3 5369 19.281 23.289 -7.731 0.00 0.00 WT0 H +ATOM 7811 OH2 TIP3 5370 15.481 21.091 17.089 0.00 0.00 WT0 O +ATOM 7812 H1 TIP3 5370 16.411 21.291 17.209 0.00 0.00 WT0 H +ATOM 7813 H2 TIP3 5370 15.021 21.831 17.479 0.00 0.00 WT0 H +ATOM 7814 OH2 TIP3 5371 -11.393 23.772 -5.732 0.00 0.00 WT0 O +ATOM 7815 H1 TIP3 5371 -12.173 24.152 -5.332 0.00 0.00 WT0 H +ATOM 7816 H2 TIP3 5371 -11.703 22.972 -6.142 0.00 0.00 WT0 H +ATOM 7817 OH2 TIP3 5372 6.329 4.875 -19.898 0.00 0.00 WT0 O +ATOM 7818 H1 TIP3 5372 5.989 5.765 -20.008 0.00 0.00 WT0 H +ATOM 7819 H2 TIP3 5372 5.579 4.305 -20.058 0.00 0.00 WT0 H +ATOM 7820 OH2 TIP3 5375 7.884 4.685 -9.529 0.00 0.00 WT0 O +ATOM 7821 H1 TIP3 5375 7.864 5.225 -8.739 0.00 0.00 WT0 H +ATOM 7822 H2 TIP3 5375 6.994 4.725 -9.879 0.00 0.00 WT0 H +ATOM 7823 OH2 TIP3 5377 -17.340 -7.012 -0.399 0.00 0.00 WT0 O +ATOM 7824 H1 TIP3 5377 -16.470 -6.952 -0.789 0.00 0.00 WT0 H +ATOM 7825 H2 TIP3 5377 -17.280 -6.492 0.401 0.00 0.00 WT0 H +ATOM 7826 OH2 TIP3 5378 -14.384 22.476 16.384 0.00 0.00 WT0 O +ATOM 7827 H1 TIP3 5378 -13.694 22.526 17.044 0.00 0.00 WT0 H +ATOM 7828 H2 TIP3 5378 -14.284 21.596 16.004 0.00 0.00 WT0 H +ATOM 7829 OH2 TIP3 5379 -19.736 -16.197 -13.027 0.00 0.00 WT0 O +ATOM 7830 H1 TIP3 5379 -20.436 -16.207 -13.677 0.00 0.00 WT0 H +ATOM 7831 H2 TIP3 5379 -20.186 -16.187 -12.177 0.00 0.00 WT0 H +ATOM 7832 OH2 TIP3 5380 -11.046 -18.507 -14.285 0.00 0.00 WT0 O +ATOM 7833 H1 TIP3 5380 -11.616 -17.757 -14.405 0.00 0.00 WT0 H +ATOM 7834 H2 TIP3 5380 -11.076 -18.677 -13.345 0.00 0.00 WT0 H +ATOM 7835 OH2 TIP3 5381 -6.096 -20.611 25.128 0.00 0.00 WT0 O +ATOM 7836 H1 TIP3 5381 -6.346 -21.451 24.728 0.00 0.00 WT0 H +ATOM 7837 H2 TIP3 5381 -6.056 -20.001 24.388 0.00 0.00 WT0 H +ATOM 7838 OH2 TIP3 5382 -4.775 19.943 20.167 0.00 0.00 WT0 O +ATOM 7839 H1 TIP3 5382 -5.735 19.953 20.137 0.00 0.00 WT0 H +ATOM 7840 H2 TIP3 5382 -4.535 19.063 19.887 0.00 0.00 WT0 H +ATOM 7841 OH2 TIP3 5383 -5.618 -15.031 -5.581 0.00 0.00 WT0 O +ATOM 7842 H1 TIP3 5383 -6.269 -14.581 -6.111 0.00 0.00 WT0 H +ATOM 7843 H2 TIP3 5383 -4.999 -15.411 -6.211 0.00 0.00 WT0 H +ATOM 7844 OH2 TIP3 5384 -4.631 -20.090 -1.095 0.00 0.00 WT0 O +ATOM 7845 H1 TIP3 5384 -5.331 -20.040 -1.745 0.00 0.00 WT0 H +ATOM 7846 H2 TIP3 5384 -4.031 -19.380 -1.315 0.00 0.00 WT0 H +ATOM 7847 OH2 TIP3 5389 -1.880 -3.186 -2.630 0.00 0.00 WT0 O +ATOM 7848 H1 TIP3 5389 -2.140 -2.336 -2.960 0.00 0.00 WT0 H +ATOM 7849 H2 TIP3 5389 -2.270 -3.816 -3.230 0.00 0.00 WT0 H +ATOM 7850 OH2 TIP3 5390 8.684 14.437 23.445 0.00 0.00 WT0 O +ATOM 7851 H1 TIP3 5390 9.204 13.677 23.685 0.00 0.00 WT0 H +ATOM 7852 H2 TIP3 5390 9.324 15.147 23.345 0.00 0.00 WT0 H +ATOM 7853 OH2 TIP3 5392 -1.312 -17.697 21.852 0.00 0.00 WT0 O +ATOM 7854 H1 TIP3 5392 -1.822 -18.477 21.642 0.00 0.00 WT0 H +ATOM 7855 H2 TIP3 5392 -0.552 -18.017 22.322 0.00 0.00 WT0 H +ATOM 7856 OH2 TIP3 5393 -11.367 4.212 -1.925 0.00 0.00 WT0 O +ATOM 7857 H1 TIP3 5393 -12.267 4.122 -2.245 0.00 0.00 WT0 H +ATOM 7858 H2 TIP3 5393 -10.947 3.392 -2.165 0.00 0.00 WT0 H +ATOM 7859 OH2 TIP3 5394 -21.277 1.172 -20.639 0.00 0.00 WT0 O +ATOM 7860 H1 TIP3 5394 -21.007 0.892 -19.769 0.00 0.00 WT0 H +ATOM 7861 H2 TIP3 5394 -21.957 0.562 -20.899 0.00 0.00 WT0 H +ATOM 7862 OH2 TIP3 5396 12.673 -24.665 -17.553 0.00 0.00 WT0 O +ATOM 7863 H1 TIP3 5396 11.763 -24.805 -17.283 0.00 0.00 WT0 H +ATOM 7864 H2 TIP3 5396 13.193 -24.875 -16.773 0.00 0.00 WT0 H +ATOM 7865 OH2 TIP3 5399 -21.320 23.687 3.514 0.00 0.00 WT0 O +ATOM 7866 H1 TIP3 5399 -21.500 24.007 2.634 0.00 0.00 WT0 H +ATOM 7867 H2 TIP3 5399 -20.570 23.097 3.414 0.00 0.00 WT0 H +ATOM 7868 OH2 TIP3 5401 -14.816 -6.849 -1.408 0.00 0.00 WT0 O +ATOM 7869 H1 TIP3 5401 -14.226 -7.609 -1.348 0.00 0.00 WT0 H +ATOM 7870 H2 TIP3 5401 -14.406 -6.199 -0.838 0.00 0.00 WT0 H +ATOM 7871 OH2 TIP3 5402 -4.417 18.915 24.580 0.00 0.00 WT0 O +ATOM 7872 H1 TIP3 5402 -5.117 18.315 24.350 0.00 0.00 WT0 H +ATOM 7873 H2 TIP3 5402 -4.707 19.335 25.390 0.00 0.00 WT0 H +ATOM 7874 OH2 TIP3 5403 -11.391 6.834 17.670 0.00 0.00 WT0 O +ATOM 7875 H1 TIP3 5403 -12.211 6.934 17.170 0.00 0.00 WT0 H +ATOM 7876 H2 TIP3 5403 -11.651 7.034 18.570 0.00 0.00 WT0 H +ATOM 7877 OH2 TIP3 5404 11.844 6.269 -18.134 0.00 0.00 WT0 O +ATOM 7878 H1 TIP3 5404 11.234 5.609 -18.464 0.00 0.00 WT0 H +ATOM 7879 H2 TIP3 5404 12.274 6.609 -18.914 0.00 0.00 WT0 H +ATOM 7880 OH2 TIP3 5406 -24.765 0.726 6.045 0.00 0.00 WT0 O +ATOM 7881 H1 TIP3 5406 -24.365 1.576 6.235 0.00 0.00 WT0 H +ATOM 7882 H2 TIP3 5406 -24.075 0.096 6.225 0.00 0.00 WT0 H +ATOM 7883 OH2 TIP3 5410 2.651 5.008 -5.850 0.00 0.00 WT0 O +ATOM 7884 H1 TIP3 5410 3.221 4.488 -5.290 0.00 0.00 WT0 H +ATOM 7885 H2 TIP3 5410 3.101 5.848 -5.940 0.00 0.00 WT0 H +ATOM 7886 OH2 TIP3 5411 16.704 9.605 12.989 0.00 0.00 WT0 O +ATOM 7887 H1 TIP3 5411 16.854 9.925 12.099 0.00 0.00 WT0 H +ATOM 7888 H2 TIP3 5411 17.374 8.935 13.119 0.00 0.00 WT0 H +ATOM 7889 OH2 TIP3 5412 6.034 -8.820 23.842 0.00 0.00 WT0 O +ATOM 7890 H1 TIP3 5412 5.634 -8.930 22.972 0.00 0.00 WT0 H +ATOM 7891 H2 TIP3 5412 6.234 -7.880 23.902 0.00 0.00 WT0 H +ATOM 7892 OH2 TIP3 5413 4.731 2.400 -8.240 0.00 0.00 WT0 O +ATOM 7893 H1 TIP3 5413 5.041 1.510 -8.410 0.00 0.00 WT0 H +ATOM 7894 H2 TIP3 5413 5.531 2.900 -8.080 0.00 0.00 WT0 H +ATOM 7895 OH2 TIP3 5418 5.858 -13.541 2.390 0.00 0.00 WT0 O +ATOM 7896 H1 TIP3 5418 5.268 -13.241 1.710 0.00 0.00 WT0 H +ATOM 7897 H2 TIP3 5418 5.508 -13.161 3.200 0.00 0.00 WT0 H +ATOM 7898 OH2 TIP3 5419 -7.941 -2.037 -19.200 0.00 0.00 WT0 O +ATOM 7899 H1 TIP3 5419 -7.391 -1.517 -18.620 0.00 0.00 WT0 H +ATOM 7900 H2 TIP3 5419 -8.161 -2.817 -18.690 0.00 0.00 WT0 H +ATOM 7901 OH2 TIP3 5420 20.957 -7.231 15.684 0.00 0.00 WT0 O +ATOM 7902 H1 TIP3 5420 21.187 -7.971 15.134 0.00 0.00 WT0 H +ATOM 7903 H2 TIP3 5420 20.497 -7.611 16.434 0.00 0.00 WT0 H +ATOM 7904 OH2 TIP3 5421 5.927 -19.128 -16.465 0.00 0.00 WT0 O +ATOM 7905 H1 TIP3 5421 5.647 -18.428 -15.875 0.00 0.00 WT0 H +ATOM 7906 H2 TIP3 5421 5.307 -19.108 -17.195 0.00 0.00 WT0 H +ATOM 7907 OH2 TIP3 5424 -19.234 12.349 -19.481 0.00 0.00 WT0 O +ATOM 7908 H1 TIP3 5424 -18.334 12.179 -19.191 0.00 0.00 WT0 H +ATOM 7909 H2 TIP3 5424 -19.674 11.509 -19.411 0.00 0.00 WT0 H +ATOM 7910 OH2 TIP3 5425 -20.067 -5.970 19.247 0.00 0.00 WT0 O +ATOM 7911 H1 TIP3 5425 -20.247 -5.950 20.187 0.00 0.00 WT0 H +ATOM 7912 H2 TIP3 5425 -20.327 -5.100 18.937 0.00 0.00 WT0 H +ATOM 7913 OH2 TIP3 5426 -23.540 -8.162 -5.979 0.00 0.00 WT0 O +ATOM 7914 H1 TIP3 5426 -22.820 -7.742 -5.509 0.00 0.00 WT0 H +ATOM 7915 H2 TIP3 5426 -23.920 -7.472 -6.519 0.00 0.00 WT0 H +ATOM 7916 OH2 TIP3 5427 14.789 0.269 3.601 0.00 0.00 WT0 O +ATOM 7917 H1 TIP3 5427 15.679 -0.071 3.531 0.00 0.00 WT0 H +ATOM 7918 H2 TIP3 5427 14.459 0.269 2.701 0.00 0.00 WT0 H +ATOM 7919 OH2 TIP3 5428 8.835 7.962 -18.559 0.00 0.00 WT0 O +ATOM 7920 H1 TIP3 5428 7.915 7.802 -18.349 0.00 0.00 WT0 H +ATOM 7921 H2 TIP3 5428 9.245 8.142 -17.709 0.00 0.00 WT0 H +ATOM 7922 OH2 TIP3 5429 -18.420 10.470 15.617 0.00 0.00 WT0 O +ATOM 7923 H1 TIP3 5429 -17.560 10.500 16.037 0.00 0.00 WT0 H +ATOM 7924 H2 TIP3 5429 -18.810 11.320 15.817 0.00 0.00 WT0 H +ATOM 7925 OH2 TIP3 5431 -7.512 -17.416 9.008 0.00 0.00 WT0 O +ATOM 7926 H1 TIP3 5431 -6.792 -17.936 9.358 0.00 0.00 WT0 H +ATOM 7927 H2 TIP3 5431 -7.442 -16.576 9.458 0.00 0.00 WT0 H +ATOM 7928 OH2 TIP3 5434 3.398 -7.333 -8.291 0.00 0.00 WT0 O +ATOM 7929 H1 TIP3 5434 3.898 -8.053 -7.921 0.00 0.00 WT0 H +ATOM 7930 H2 TIP3 5434 2.948 -6.943 -7.531 0.00 0.00 WT0 H +ATOM 7931 OH2 TIP3 5440 18.849 23.063 19.221 0.00 0.00 WT0 O +ATOM 7932 H1 TIP3 5440 19.579 23.653 19.041 0.00 0.00 WT0 H +ATOM 7933 H2 TIP3 5440 18.439 23.433 20.001 0.00 0.00 WT0 H +ATOM 7934 OH2 TIP3 5442 7.751 17.811 -4.401 0.00 0.00 WT0 O +ATOM 7935 H1 TIP3 5442 7.391 18.131 -3.571 0.00 0.00 WT0 H +ATOM 7936 H2 TIP3 5442 8.381 18.491 -4.661 0.00 0.00 WT0 H +ATOM 7937 OH2 TIP3 5444 -24.030 -15.401 3.062 0.00 0.00 WT0 O +ATOM 7938 H1 TIP3 5444 -23.130 -15.541 3.362 0.00 0.00 WT0 H +ATOM 7939 H2 TIP3 5444 -23.940 -14.811 2.312 0.00 0.00 WT0 H +ATOM 7940 OH2 TIP3 5445 0.059 -12.669 -16.355 0.00 0.00 WT0 O +ATOM 7941 H1 TIP3 5445 -0.431 -11.849 -16.285 0.00 0.00 WT0 H +ATOM 7942 H2 TIP3 5445 0.889 -12.409 -16.745 0.00 0.00 WT0 H +ATOM 7943 OH2 TIP3 5448 -3.860 -14.779 -0.679 0.00 0.00 WT0 O +ATOM 7944 H1 TIP3 5448 -4.740 -15.009 -0.389 0.00 0.00 WT0 H +ATOM 7945 H2 TIP3 5448 -3.980 -14.029 -1.259 0.00 0.00 WT0 H +ATOM 7946 OH2 TIP3 5451 -0.184 13.673 -2.482 0.00 0.00 WT0 O +ATOM 7947 H1 TIP3 5451 0.236 13.503 -1.632 0.00 0.00 WT0 H +ATOM 7948 H2 TIP3 5451 -0.544 12.833 -2.752 0.00 0.00 WT0 H +ATOM 7949 OH2 TIP3 5452 18.366 -18.065 -1.791 0.00 0.00 WT0 O +ATOM 7950 H1 TIP3 5452 18.016 -18.655 -2.451 0.00 0.00 WT0 H +ATOM 7951 H2 TIP3 5452 19.156 -17.705 -2.191 0.00 0.00 WT0 H +ATOM 7952 OH2 TIP3 5453 6.987 3.722 3.581 0.00 0.00 WT0 O +ATOM 7953 H1 TIP3 5453 7.607 3.042 3.831 0.00 0.00 WT0 H +ATOM 7954 H2 TIP3 5453 7.237 4.482 4.101 0.00 0.00 WT0 H +ATOM 7955 OH2 TIP3 5454 15.103 6.334 -21.440 0.00 0.00 WT0 O +ATOM 7956 H1 TIP3 5454 15.443 6.044 -20.600 0.00 0.00 WT0 H +ATOM 7957 H2 TIP3 5454 14.983 7.284 -21.340 0.00 0.00 WT0 H +ATOM 7958 OH2 TIP3 5455 -16.722 0.112 17.091 0.00 0.00 WT0 O +ATOM 7959 H1 TIP3 5455 -16.742 -0.798 17.401 0.00 0.00 WT0 H +ATOM 7960 H2 TIP3 5455 -15.792 0.282 16.931 0.00 0.00 WT0 H +ATOM 7961 OH2 TIP3 5457 -14.614 -23.676 23.284 0.00 0.00 WT0 O +ATOM 7962 H1 TIP3 5457 -14.734 -22.726 23.384 0.00 0.00 WT0 H +ATOM 7963 H2 TIP3 5457 -13.934 -23.766 22.634 0.00 0.00 WT0 H +ATOM 7964 OH2 TIP3 5460 -1.366 10.474 21.805 0.00 0.00 WT0 O +ATOM 7965 H1 TIP3 5460 -1.516 10.814 22.695 0.00 0.00 WT0 H +ATOM 7966 H2 TIP3 5460 -1.836 11.084 21.235 0.00 0.00 WT0 H +ATOM 7967 OH2 TIP3 5461 -4.793 0.262 20.179 0.00 0.00 WT0 O +ATOM 7968 H1 TIP3 5461 -4.753 -0.478 19.569 0.00 0.00 WT0 H +ATOM 7969 H2 TIP3 5461 -5.123 0.992 19.659 0.00 0.00 WT0 H +ATOM 7970 OH2 TIP3 5462 -3.140 14.583 16.426 0.00 0.00 WT0 O +ATOM 7971 H1 TIP3 5462 -3.490 13.763 16.766 0.00 0.00 WT0 H +ATOM 7972 H2 TIP3 5462 -3.910 15.073 16.146 0.00 0.00 WT0 H +ATOM 7973 OH2 TIP3 5463 -8.533 -18.532 6.469 0.00 0.00 WT0 O +ATOM 7974 H1 TIP3 5463 -8.943 -17.772 6.059 0.00 0.00 WT0 H +ATOM 7975 H2 TIP3 5463 -7.993 -18.162 7.179 0.00 0.00 WT0 H +ATOM 7976 OH2 TIP3 5465 -24.944 -14.343 -17.451 0.00 0.00 WT0 O +ATOM 7977 H1 TIP3 5465 -24.414 -13.893 -18.111 0.00 0.00 WT0 H +ATOM 7978 H2 TIP3 5465 -24.644 -15.253 -17.481 0.00 0.00 WT0 H +ATOM 7979 OH2 TIP3 5466 -23.974 23.644 -23.173 0.00 0.00 WT0 O +ATOM 7980 H1 TIP3 5466 -24.904 23.834 -23.083 0.00 0.00 WT0 H +ATOM 7981 H2 TIP3 5466 -23.814 22.944 -22.533 0.00 0.00 WT0 H +ATOM 7982 OH2 TIP3 5467 -6.722 -1.407 -6.235 0.00 0.00 WT0 O +ATOM 7983 H1 TIP3 5467 -6.682 -0.477 -6.015 0.00 0.00 WT0 H +ATOM 7984 H2 TIP3 5467 -7.642 -1.557 -6.465 0.00 0.00 WT0 H +ATOM 7985 OH2 TIP3 5468 -3.246 15.970 -14.884 0.00 0.00 WT0 O +ATOM 7986 H1 TIP3 5468 -3.356 16.870 -15.184 0.00 0.00 WT0 H +ATOM 7987 H2 TIP3 5468 -2.886 15.510 -15.634 0.00 0.00 WT0 H +ATOM 7988 OH2 TIP3 5473 -25.075 -17.882 2.269 0.00 0.00 WT0 O +ATOM 7989 H1 TIP3 5473 -24.655 -17.402 2.979 0.00 0.00 WT0 H +ATOM 7990 H2 TIP3 5473 -24.545 -18.672 2.159 0.00 0.00 WT0 H +ATOM 7991 OH2 TIP3 5488 -3.980 -3.016 15.914 0.00 0.00 WT0 O +ATOM 7992 H1 TIP3 5488 -3.560 -2.246 15.544 0.00 0.00 WT0 H +ATOM 7993 H2 TIP3 5488 -3.300 -3.416 16.474 0.00 0.00 WT0 H +ATOM 7994 OH2 TIP3 5491 6.663 14.861 -14.770 0.00 0.00 WT0 O +ATOM 7995 H1 TIP3 5491 6.053 15.551 -15.010 0.00 0.00 WT0 H +ATOM 7996 H2 TIP3 5491 6.433 14.121 -15.340 0.00 0.00 WT0 H +ATOM 7997 OH2 TIP3 5492 -12.296 10.559 16.739 0.00 0.00 WT0 O +ATOM 7998 H1 TIP3 5492 -11.386 10.729 16.999 0.00 0.00 WT0 H +ATOM 7999 H2 TIP3 5492 -12.636 9.999 17.439 0.00 0.00 WT0 H +ATOM 8000 OH2 TIP3 5493 10.310 11.989 -17.837 0.00 0.00 WT0 O +ATOM 8001 H1 TIP3 5493 10.240 12.869 -17.447 0.00 0.00 WT0 H +ATOM 8002 H2 TIP3 5493 10.910 12.109 -18.577 0.00 0.00 WT0 H +ATOM 8003 OH2 TIP3 5496 5.483 -16.838 8.598 0.00 0.00 WT0 O +ATOM 8004 H1 TIP3 5496 5.263 -16.878 7.668 0.00 0.00 WT0 H +ATOM 8005 H2 TIP3 5496 5.583 -15.898 8.778 0.00 0.00 WT0 H +ATOM 8006 OH2 TIP3 5497 -22.323 23.801 10.157 0.00 0.00 WT0 O +ATOM 8007 H1 TIP3 5497 -21.493 23.991 9.707 0.00 0.00 WT0 H +ATOM 8008 H2 TIP3 5497 -22.053 23.341 10.957 0.00 0.00 WT0 H +ATOM 8009 OH2 TIP3 5501 7.544 -12.792 20.325 0.00 0.00 WT0 O +ATOM 8010 H1 TIP3 5501 7.694 -13.332 19.545 0.00 0.00 WT0 H +ATOM 8011 H2 TIP3 5501 7.414 -13.422 21.035 0.00 0.00 WT0 H +ATOM 8012 OH2 TIP3 5502 10.971 -3.602 4.990 0.00 0.00 WT0 O +ATOM 8013 H1 TIP3 5502 11.731 -4.102 4.690 0.00 0.00 WT0 H +ATOM 8014 H2 TIP3 5502 11.241 -3.262 5.840 0.00 0.00 WT0 H +ATOM 8015 OH2 TIP3 5504 16.250 4.611 -15.775 0.00 0.00 WT0 O +ATOM 8016 H1 TIP3 5504 15.670 5.331 -16.005 0.00 0.00 WT0 H +ATOM 8017 H2 TIP3 5504 16.810 4.491 -16.545 0.00 0.00 WT0 H +ATOM 8018 OH2 TIP3 5505 -14.734 9.597 -22.244 0.00 0.00 WT0 O +ATOM 8019 H1 TIP3 5505 -15.034 9.187 -23.054 0.00 0.00 WT0 H +ATOM 8020 H2 TIP3 5505 -14.064 10.217 -22.524 0.00 0.00 WT0 H +ATOM 8021 OH2 TIP3 5506 22.728 10.417 -7.145 0.00 0.00 WT0 O +ATOM 8022 H1 TIP3 5506 22.588 11.047 -7.855 0.00 0.00 WT0 H +ATOM 8023 H2 TIP3 5506 22.968 10.967 -6.395 0.00 0.00 WT0 H +ATOM 8024 OH2 TIP3 5507 -21.212 -2.900 -0.081 0.00 0.00 WT0 O +ATOM 8025 H1 TIP3 5507 -20.592 -2.270 0.309 0.00 0.00 WT0 H +ATOM 8026 H2 TIP3 5507 -21.472 -2.500 -0.911 0.00 0.00 WT0 H +ATOM 8027 OH2 TIP3 5508 13.321 12.708 -10.180 0.00 0.00 WT0 O +ATOM 8028 H1 TIP3 5508 13.621 12.738 -9.270 0.00 0.00 WT0 H +ATOM 8029 H2 TIP3 5508 13.661 11.878 -10.510 0.00 0.00 WT0 H +ATOM 8030 OH2 TIP3 5509 -10.965 -9.719 -5.785 0.00 0.00 WT0 O +ATOM 8031 H1 TIP3 5509 -11.765 -9.399 -6.215 0.00 0.00 WT0 H +ATOM 8032 H2 TIP3 5509 -11.275 -10.279 -5.075 0.00 0.00 WT0 H +ATOM 8033 OH2 TIP3 5510 4.094 -5.983 -17.957 0.00 0.00 WT0 O +ATOM 8034 H1 TIP3 5510 4.014 -5.453 -18.757 0.00 0.00 WT0 H +ATOM 8035 H2 TIP3 5510 3.264 -6.453 -17.907 0.00 0.00 WT0 H +ATOM 8036 OH2 TIP3 5511 -21.125 -3.235 11.663 0.00 0.00 WT0 O +ATOM 8037 H1 TIP3 5511 -21.655 -3.955 11.313 0.00 0.00 WT0 H +ATOM 8038 H2 TIP3 5511 -20.235 -3.585 11.703 0.00 0.00 WT0 H +ATOM 8039 OH2 TIP3 5513 -2.666 -20.060 4.966 0.00 0.00 WT0 O +ATOM 8040 H1 TIP3 5513 -1.776 -20.330 4.746 0.00 0.00 WT0 H +ATOM 8041 H2 TIP3 5513 -3.126 -20.870 5.166 0.00 0.00 WT0 H +ATOM 8042 OH2 TIP3 5515 0.468 1.001 16.555 0.00 0.00 WT0 O +ATOM 8043 H1 TIP3 5515 1.048 1.601 17.005 0.00 0.00 WT0 H +ATOM 8044 H2 TIP3 5515 0.948 0.171 16.525 0.00 0.00 WT0 H +ATOM 8045 OH2 TIP3 5516 -18.377 17.025 8.102 0.00 0.00 WT0 O +ATOM 8046 H1 TIP3 5516 -18.807 17.095 8.952 0.00 0.00 WT0 H +ATOM 8047 H2 TIP3 5516 -19.027 17.375 7.482 0.00 0.00 WT0 H +ATOM 8048 OH2 TIP3 5518 6.493 18.402 -13.225 0.00 0.00 WT0 O +ATOM 8049 H1 TIP3 5518 6.963 19.242 -13.235 0.00 0.00 WT0 H +ATOM 8050 H2 TIP3 5518 6.893 17.892 -13.925 0.00 0.00 WT0 H +ATOM 8051 OH2 TIP3 5520 -3.992 -6.541 -2.148 0.00 0.00 WT0 O +ATOM 8052 H1 TIP3 5520 -4.572 -7.031 -2.728 0.00 0.00 WT0 H +ATOM 8053 H2 TIP3 5520 -4.382 -5.671 -2.098 0.00 0.00 WT0 H +ATOM 8054 OH2 TIP3 5522 9.916 22.061 2.154 0.00 0.00 WT0 O +ATOM 8055 H1 TIP3 5522 9.046 22.451 2.184 0.00 0.00 WT0 H +ATOM 8056 H2 TIP3 5522 9.746 21.121 2.104 0.00 0.00 WT0 H +ATOM 8057 OH2 TIP3 5526 -24.141 15.170 20.119 0.00 0.00 WT0 O +ATOM 8058 H1 TIP3 5526 -23.281 15.030 20.519 0.00 0.00 WT0 H +ATOM 8059 H2 TIP3 5526 -24.761 15.020 20.829 0.00 0.00 WT0 H +ATOM 8060 OH2 TIP3 5527 20.819 -15.105 -0.805 0.00 0.00 WT0 O +ATOM 8061 H1 TIP3 5527 20.879 -14.795 0.095 0.00 0.00 WT0 H +ATOM 8062 H2 TIP3 5527 21.679 -15.485 -0.985 0.00 0.00 WT0 H +ATOM 8063 OH2 TIP3 5529 -4.524 19.273 -23.169 0.00 0.00 WT0 O +ATOM 8064 H1 TIP3 5529 -4.174 19.743 -22.409 0.00 0.00 WT0 H +ATOM 8065 H2 TIP3 5529 -5.314 18.843 -22.839 0.00 0.00 WT0 H +ATOM 8066 OH2 TIP3 5530 22.091 -9.271 -4.435 0.00 0.00 WT0 O +ATOM 8067 H1 TIP3 5530 22.161 -9.601 -3.535 0.00 0.00 WT0 H +ATOM 8068 H2 TIP3 5530 21.881 -10.051 -4.955 0.00 0.00 WT0 H +ATOM 8069 OH2 TIP3 5532 -5.200 -24.600 14.230 0.00 0.00 WT0 O +ATOM 8070 H1 TIP3 5532 -6.040 -24.990 13.990 0.00 0.00 WT0 H +ATOM 8071 H2 TIP3 5532 -5.420 -23.970 14.930 0.00 0.00 WT0 H +ATOM 8072 OH2 TIP3 5534 -4.333 10.181 -0.324 0.00 0.00 WT0 O +ATOM 8073 H1 TIP3 5534 -4.893 10.891 -0.014 0.00 0.00 WT0 H +ATOM 8074 H2 TIP3 5534 -3.993 10.491 -1.164 0.00 0.00 WT0 H +ATOM 8075 OH2 TIP3 5535 24.056 1.577 -18.913 0.00 0.00 WT0 O +ATOM 8076 H1 TIP3 5535 24.496 0.727 -18.823 0.00 0.00 WT0 H +ATOM 8077 H2 TIP3 5535 23.196 1.437 -18.523 0.00 0.00 WT0 H +ATOM 8078 OH2 TIP3 5539 -24.340 -16.426 17.279 0.00 0.00 WT0 O +ATOM 8079 H1 TIP3 5539 -24.320 -17.036 18.019 0.00 0.00 WT0 H +ATOM 8080 H2 TIP3 5539 -23.790 -15.696 17.559 0.00 0.00 WT0 H +ATOM 8081 OH2 TIP3 5541 18.738 16.633 -17.353 0.00 0.00 WT0 O +ATOM 8082 H1 TIP3 5541 18.498 17.453 -16.933 0.00 0.00 WT0 H +ATOM 8083 H2 TIP3 5541 19.318 16.883 -18.073 0.00 0.00 WT0 H +ATOM 8084 OH2 TIP3 5545 7.949 -9.547 -9.012 0.00 0.00 WT0 O +ATOM 8085 H1 TIP3 5545 7.269 -10.107 -9.382 0.00 0.00 WT0 H +ATOM 8086 H2 TIP3 5545 8.079 -8.857 -9.662 0.00 0.00 WT0 H +ATOM 8087 OH2 TIP3 5547 -15.077 1.511 22.785 0.00 0.00 WT0 O +ATOM 8088 H1 TIP3 5547 -15.457 1.121 23.575 0.00 0.00 WT0 H +ATOM 8089 H2 TIP3 5547 -15.717 2.181 22.525 0.00 0.00 WT0 H +ATOM 8090 OH2 TIP3 5550 2.239 24.076 0.942 0.00 0.00 WT0 O +ATOM 8091 H1 TIP3 5550 2.409 24.996 1.152 0.00 0.00 WT0 H +ATOM 8092 H2 TIP3 5550 2.729 23.586 1.592 0.00 0.00 WT0 H +ATOM 8093 OH2 TIP3 5551 21.663 -5.154 -2.907 0.00 0.00 WT0 O +ATOM 8094 H1 TIP3 5551 21.973 -5.364 -2.027 0.00 0.00 WT0 H +ATOM 8095 H2 TIP3 5551 21.253 -5.964 -3.207 0.00 0.00 WT0 H +ATOM 8096 OH2 TIP3 5552 16.015 1.194 20.862 0.00 0.00 WT0 O +ATOM 8097 H1 TIP3 5552 16.435 1.964 20.472 0.00 0.00 WT0 H +ATOM 8098 H2 TIP3 5552 15.975 1.394 21.802 0.00 0.00 WT0 H +ATOM 8099 OH2 TIP3 5553 -2.237 3.704 -0.288 0.00 0.00 WT0 O +ATOM 8100 H1 TIP3 5553 -2.357 2.984 0.332 0.00 0.00 WT0 H +ATOM 8101 H2 TIP3 5553 -2.097 3.274 -1.128 0.00 0.00 WT0 H +ATOM 8102 OH2 TIP3 5554 -19.030 6.526 3.180 0.00 0.00 WT0 O +ATOM 8103 H1 TIP3 5554 -18.320 5.946 2.920 0.00 0.00 WT0 H +ATOM 8104 H2 TIP3 5554 -19.290 6.226 4.050 0.00 0.00 WT0 H +ATOM 8105 OH2 TIP3 5555 9.620 -10.917 12.320 0.00 0.00 WT0 O +ATOM 8106 H1 TIP3 5555 9.210 -11.507 11.690 0.00 0.00 WT0 H +ATOM 8107 H2 TIP3 5555 10.490 -10.747 11.970 0.00 0.00 WT0 H +ATOM 8108 OH2 TIP3 5557 -16.513 14.020 14.505 0.00 0.00 WT0 O +ATOM 8109 H1 TIP3 5557 -15.743 13.990 13.925 0.00 0.00 WT0 H +ATOM 8110 H2 TIP3 5557 -16.803 14.930 14.455 0.00 0.00 WT0 H +ATOM 8111 OH2 TIP3 5559 23.224 -8.569 5.561 0.00 0.00 WT0 O +ATOM 8112 H1 TIP3 5559 22.564 -8.649 4.871 0.00 0.00 WT0 H +ATOM 8113 H2 TIP3 5559 23.814 -7.889 5.251 0.00 0.00 WT0 H +ATOM 8114 OH2 TIP3 5560 -18.889 9.142 4.791 0.00 0.00 WT0 O +ATOM 8115 H1 TIP3 5560 -18.189 9.122 4.141 0.00 0.00 WT0 H +ATOM 8116 H2 TIP3 5560 -19.589 8.622 4.401 0.00 0.00 WT0 H +ATOM 8117 OH2 TIP3 5566 -0.376 4.110 2.681 0.00 0.00 WT0 O +ATOM 8118 H1 TIP3 5566 -0.926 4.760 2.241 0.00 0.00 WT0 H +ATOM 8119 H2 TIP3 5566 -0.536 4.250 3.611 0.00 0.00 WT0 H +ATOM 8120 OH2 TIP3 5567 -7.045 0.372 18.066 0.00 0.00 WT0 O +ATOM 8121 H1 TIP3 5567 -7.635 -0.058 18.676 0.00 0.00 WT0 H +ATOM 8122 H2 TIP3 5567 -7.385 0.142 17.196 0.00 0.00 WT0 H +ATOM 8123 OH2 TIP3 5568 -2.762 1.547 1.435 0.00 0.00 WT0 O +ATOM 8124 H1 TIP3 5568 -3.682 1.357 1.255 0.00 0.00 WT0 H +ATOM 8125 H2 TIP3 5568 -2.792 2.187 2.145 0.00 0.00 WT0 H +ATOM 8126 OH2 TIP3 5570 -9.114 -23.451 -25.455 0.00 0.00 WT0 O +ATOM 8127 H1 TIP3 5570 -9.184 -23.831 -24.575 0.00 0.00 WT0 H +ATOM 8128 H2 TIP3 5570 -8.164 -23.441 -25.625 0.00 0.00 WT0 H +ATOM 8129 OH2 TIP3 5571 16.508 11.469 2.016 0.00 0.00 WT0 O +ATOM 8130 H1 TIP3 5571 16.788 12.289 1.606 0.00 0.00 WT0 H +ATOM 8131 H2 TIP3 5571 16.828 11.539 2.916 0.00 0.00 WT0 H +ATOM 8132 OH2 TIP3 5572 21.775 18.823 -17.054 0.00 0.00 WT0 O +ATOM 8133 H1 TIP3 5572 21.245 19.563 -16.784 0.00 0.00 WT0 H +ATOM 8134 H2 TIP3 5572 21.525 18.123 -16.444 0.00 0.00 WT0 H +ATOM 8135 OH2 TIP3 5574 -7.606 15.389 -7.332 0.00 0.00 WT0 O +ATOM 8136 H1 TIP3 5574 -7.216 15.999 -7.962 0.00 0.00 WT0 H +ATOM 8137 H2 TIP3 5574 -8.226 14.869 -7.852 0.00 0.00 WT0 H +ATOM 8138 OH2 TIP3 5582 9.403 -21.681 1.211 0.00 0.00 WT0 O +ATOM 8139 H1 TIP3 5582 10.293 -21.871 0.901 0.00 0.00 WT0 H +ATOM 8140 H2 TIP3 5582 9.413 -20.731 1.361 0.00 0.00 WT0 H +ATOM 8141 OH2 TIP3 5591 -7.034 5.368 9.762 0.00 0.00 WT0 O +ATOM 8142 H1 TIP3 5591 -7.884 4.938 9.852 0.00 0.00 WT0 H +ATOM 8143 H2 TIP3 5591 -6.394 4.668 9.942 0.00 0.00 WT0 H +ATOM 8144 OH2 TIP3 5594 -20.574 10.216 -24.848 0.00 0.00 WT0 O +ATOM 8145 H1 TIP3 5594 -20.404 9.366 -24.438 0.00 0.00 WT0 H +ATOM 8146 H2 TIP3 5594 -20.644 10.826 -24.118 0.00 0.00 WT0 H +ATOM 8147 OH2 TIP3 5598 12.580 23.459 -21.085 0.00 0.00 WT0 O +ATOM 8148 H1 TIP3 5598 12.680 22.749 -20.445 0.00 0.00 WT0 H +ATOM 8149 H2 TIP3 5598 11.650 23.649 -21.105 0.00 0.00 WT0 H +ATOM 8150 OH2 TIP3 5599 -23.001 8.070 -3.910 0.00 0.00 WT0 O +ATOM 8151 H1 TIP3 5599 -22.641 8.200 -4.780 0.00 0.00 WT0 H +ATOM 8152 H2 TIP3 5599 -23.301 8.940 -3.650 0.00 0.00 WT0 H +ATOM 8153 OH2 TIP3 5601 24.704 -24.183 5.068 0.00 0.00 WT0 O +ATOM 8154 H1 TIP3 5601 25.054 -23.743 4.298 0.00 0.00 WT0 H +ATOM 8155 H2 TIP3 5601 25.454 -24.643 5.448 0.00 0.00 WT0 H +ATOM 8156 OH2 TIP3 5602 -18.857 -8.362 9.025 0.00 0.00 WT0 O +ATOM 8157 H1 TIP3 5602 -18.477 -7.502 8.885 0.00 0.00 WT0 H +ATOM 8158 H2 TIP3 5602 -19.367 -8.272 9.835 0.00 0.00 WT0 H +ATOM 8159 OH2 TIP3 5604 -7.921 -11.400 -15.054 0.00 0.00 WT0 O +ATOM 8160 H1 TIP3 5604 -8.831 -11.250 -14.794 0.00 0.00 WT0 H +ATOM 8161 H2 TIP3 5604 -7.511 -11.760 -14.264 0.00 0.00 WT0 H +ATOM 8162 OH2 TIP3 5607 -19.259 4.680 -7.031 0.00 0.00 WT0 O +ATOM 8163 H1 TIP3 5607 -19.609 4.870 -7.901 0.00 0.00 WT0 H +ATOM 8164 H2 TIP3 5607 -18.389 5.080 -7.021 0.00 0.00 WT0 H +ATOM 8165 OH2 TIP3 5609 -15.269 14.894 24.195 0.00 0.00 WT0 O +ATOM 8166 H1 TIP3 5609 -15.149 15.384 25.015 0.00 0.00 WT0 H +ATOM 8167 H2 TIP3 5609 -16.209 14.884 24.065 0.00 0.00 WT0 H +ATOM 8168 OH2 TIP3 5610 -23.887 22.964 -1.499 0.00 0.00 WT0 O +ATOM 8169 H1 TIP3 5610 -23.167 22.544 -1.029 0.00 0.00 WT0 H +ATOM 8170 H2 TIP3 5610 -23.577 23.844 -1.689 0.00 0.00 WT0 H +ATOM 8171 OH2 TIP3 5611 -3.232 -17.235 12.472 0.00 0.00 WT0 O +ATOM 8172 H1 TIP3 5611 -3.952 -17.685 12.902 0.00 0.00 WT0 H +ATOM 8173 H2 TIP3 5611 -3.012 -16.505 13.052 0.00 0.00 WT0 H +ATOM 8174 OH2 TIP3 5612 5.990 22.908 -0.224 0.00 0.00 WT0 O +ATOM 8175 H1 TIP3 5612 6.860 22.948 -0.634 0.00 0.00 WT0 H +ATOM 8176 H2 TIP3 5612 6.130 23.238 0.666 0.00 0.00 WT0 H +ATOM 8177 OH2 TIP3 5613 20.631 10.963 -1.194 0.00 0.00 WT0 O +ATOM 8178 H1 TIP3 5613 20.311 11.853 -1.364 0.00 0.00 WT0 H +ATOM 8179 H2 TIP3 5613 20.581 10.533 -2.044 0.00 0.00 WT0 H +ATOM 8180 OH2 TIP3 5617 9.587 3.177 20.636 0.00 0.00 WT0 O +ATOM 8181 H1 TIP3 5617 8.947 3.197 19.926 0.00 0.00 WT0 H +ATOM 8182 H2 TIP3 5617 9.327 3.897 21.216 0.00 0.00 WT0 H +ATOM 8183 OH2 TIP3 5619 -4.850 25.294 -24.949 0.00 0.00 WT0 O +ATOM 8184 H1 TIP3 5619 -5.080 25.294 -24.019 0.00 0.00 WT0 H +ATOM 8185 H2 TIP3 5619 -4.040 24.784 -24.999 0.00 0.00 WT0 H +ATOM 8186 OH2 TIP3 5628 14.979 -23.460 18.305 0.00 0.00 WT0 O +ATOM 8187 H1 TIP3 5628 14.729 -22.650 17.865 0.00 0.00 WT0 H +ATOM 8188 H2 TIP3 5628 14.249 -24.060 18.125 0.00 0.00 WT0 H +ATOM 8189 OH2 TIP3 5631 1.886 20.371 -24.761 0.00 0.00 WT0 O +ATOM 8190 H1 TIP3 5631 1.576 19.701 -25.381 0.00 0.00 WT0 H +ATOM 8191 H2 TIP3 5631 2.096 21.121 -25.311 0.00 0.00 WT0 H +ATOM 8192 OH2 TIP3 5633 -20.680 6.171 1.032 0.00 0.00 WT0 O +ATOM 8193 H1 TIP3 5633 -20.220 6.421 1.832 0.00 0.00 WT0 H +ATOM 8194 H2 TIP3 5633 -20.870 7.001 0.592 0.00 0.00 WT0 H +ATOM 8195 OH2 TIP3 5638 -0.677 -4.630 23.882 0.00 0.00 WT0 O +ATOM 8196 H1 TIP3 5638 0.163 -4.180 23.762 0.00 0.00 WT0 H +ATOM 8197 H2 TIP3 5638 -1.087 -4.620 23.022 0.00 0.00 WT0 H +ATOM 8198 OH2 TIP3 5639 -15.463 -23.902 -3.445 0.00 0.00 WT0 O +ATOM 8199 H1 TIP3 5639 -15.473 -23.132 -2.875 0.00 0.00 WT0 H +ATOM 8200 H2 TIP3 5639 -15.993 -23.642 -4.205 0.00 0.00 WT0 H +ATOM 8201 OH2 TIP3 5641 10.531 -8.225 9.520 0.00 0.00 WT0 O +ATOM 8202 H1 TIP3 5641 10.651 -7.505 8.910 0.00 0.00 WT0 H +ATOM 8203 H2 TIP3 5641 9.701 -8.025 9.960 0.00 0.00 WT0 H +ATOM 8204 OH2 TIP3 5643 -2.785 -15.169 13.957 0.00 0.00 WT0 O +ATOM 8205 H1 TIP3 5643 -2.715 -15.679 14.767 0.00 0.00 WT0 H +ATOM 8206 H2 TIP3 5643 -3.215 -14.359 14.227 0.00 0.00 WT0 H +ATOM 8207 OH2 TIP3 5648 8.810 -10.787 -2.104 0.00 0.00 WT0 O +ATOM 8208 H1 TIP3 5648 9.010 -11.017 -1.194 0.00 0.00 WT0 H +ATOM 8209 H2 TIP3 5648 7.990 -10.307 -2.054 0.00 0.00 WT0 H +ATOM 8210 OH2 TIP3 5650 9.931 -22.991 10.357 0.00 0.00 WT0 O +ATOM 8211 H1 TIP3 5650 9.411 -23.631 10.837 0.00 0.00 WT0 H +ATOM 8212 H2 TIP3 5650 9.651 -23.081 9.447 0.00 0.00 WT0 H +ATOM 8213 OH2 TIP3 5661 -21.826 -16.831 -22.589 0.00 0.00 WT0 O +ATOM 8214 H1 TIP3 5661 -21.986 -17.751 -22.379 0.00 0.00 WT0 H +ATOM 8215 H2 TIP3 5661 -21.006 -16.621 -22.139 0.00 0.00 WT0 H +ATOM 8216 OH2 TIP3 5667 -4.021 20.451 0.823 0.00 0.00 WT0 O +ATOM 8217 H1 TIP3 5667 -3.991 20.641 -0.107 0.00 0.00 WT0 H +ATOM 8218 H2 TIP3 5667 -4.941 20.591 1.073 0.00 0.00 WT0 H +ATOM 8219 OH2 TIP3 5669 -12.216 -6.428 3.903 0.00 0.00 WT0 O +ATOM 8220 H1 TIP3 5669 -12.116 -7.178 4.483 0.00 0.00 WT0 H +ATOM 8221 H2 TIP3 5669 -13.146 -6.418 3.673 0.00 0.00 WT0 H +ATOM 8222 OH2 TIP3 5675 13.636 16.409 -12.195 0.00 0.00 WT0 O +ATOM 8223 H1 TIP3 5675 12.966 16.439 -12.885 0.00 0.00 WT0 H +ATOM 8224 H2 TIP3 5675 13.946 17.309 -12.135 0.00 0.00 WT0 H +ATOM 8225 OH2 TIP3 5676 -9.187 4.015 21.249 0.00 0.00 WT0 O +ATOM 8226 H1 TIP3 5676 -9.457 4.825 20.809 0.00 0.00 WT0 H +ATOM 8227 H2 TIP3 5676 -9.057 4.275 22.159 0.00 0.00 WT0 H +ATOM 8228 OH2 TIP3 5678 15.965 4.706 -23.961 0.00 0.00 WT0 O +ATOM 8229 H1 TIP3 5678 15.735 4.536 -24.871 0.00 0.00 WT0 H +ATOM 8230 H2 TIP3 5678 15.415 5.446 -23.711 0.00 0.00 WT0 H +ATOM 8231 OH2 TIP3 5679 -10.783 -12.699 -2.061 0.00 0.00 WT0 O +ATOM 8232 H1 TIP3 5679 -9.953 -12.259 -1.861 0.00 0.00 WT0 H +ATOM 8233 H2 TIP3 5679 -10.963 -12.449 -2.971 0.00 0.00 WT0 H +ATOM 8234 OH2 TIP3 5681 23.606 -13.020 -6.124 0.00 0.00 WT0 O +ATOM 8235 H1 TIP3 5681 24.556 -13.150 -6.194 0.00 0.00 WT0 H +ATOM 8236 H2 TIP3 5681 23.256 -13.430 -6.914 0.00 0.00 WT0 H +ATOM 8237 OH2 TIP3 5682 17.326 -16.514 -15.734 0.00 0.00 WT0 O +ATOM 8238 H1 TIP3 5682 16.476 -16.444 -15.284 0.00 0.00 WT0 H +ATOM 8239 H2 TIP3 5682 17.956 -16.174 -15.094 0.00 0.00 WT0 H +ATOM 8240 OH2 TIP3 5684 6.011 -13.578 25.271 0.00 0.00 WT0 O +ATOM 8241 H1 TIP3 5684 6.131 -12.628 25.191 0.00 0.00 WT0 H +ATOM 8242 H2 TIP3 5684 5.521 -13.828 24.491 0.00 0.00 WT0 H +ATOM 8243 OH2 TIP3 5690 -19.136 -4.066 15.875 0.00 0.00 WT0 O +ATOM 8244 H1 TIP3 5690 -19.966 -4.326 15.465 0.00 0.00 WT0 H +ATOM 8245 H2 TIP3 5690 -19.346 -3.976 16.805 0.00 0.00 WT0 H +ATOM 8246 OH2 TIP3 5697 13.681 -2.293 -19.151 0.00 0.00 WT0 O +ATOM 8247 H1 TIP3 5697 13.941 -2.733 -19.961 0.00 0.00 WT0 H +ATOM 8248 H2 TIP3 5697 14.421 -1.723 -18.941 0.00 0.00 WT0 H +ATOM 8249 OH2 TIP3 5704 -21.063 -17.907 23.626 0.00 0.00 WT0 O +ATOM 8250 H1 TIP3 5704 -20.283 -17.407 23.406 0.00 0.00 WT0 H +ATOM 8251 H2 TIP3 5704 -21.093 -18.607 22.976 0.00 0.00 WT0 H +ATOM 8252 OH2 TIP3 5710 16.563 23.964 12.731 0.00 0.00 WT0 O +ATOM 8253 H1 TIP3 5710 16.403 24.874 12.481 0.00 0.00 WT0 H +ATOM 8254 H2 TIP3 5710 17.393 23.734 12.311 0.00 0.00 WT0 H +ATOM 8255 OH2 TIP3 5713 20.145 20.093 19.233 0.00 0.00 WT0 O +ATOM 8256 H1 TIP3 5713 19.715 20.513 19.983 0.00 0.00 WT0 H +ATOM 8257 H2 TIP3 5713 20.835 20.703 18.973 0.00 0.00 WT0 H +ATOM 8258 OH2 TIP3 5714 5.038 0.571 23.676 0.00 0.00 WT0 O +ATOM 8259 H1 TIP3 5714 5.758 0.381 23.066 0.00 0.00 WT0 H +ATOM 8260 H2 TIP3 5714 4.858 -0.279 24.086 0.00 0.00 WT0 H +ATOM 8261 OH2 TIP3 5718 22.106 -25.371 15.349 0.00 0.00 WT0 O +ATOM 8262 H1 TIP3 5718 21.876 -24.561 14.899 0.00 0.00 WT0 H +ATOM 8263 H2 TIP3 5718 22.806 -25.121 15.949 0.00 0.00 WT0 H +ATOM 8264 OH2 TIP3 5719 20.090 24.861 5.482 0.00 0.00 WT0 O +ATOM 8265 H1 TIP3 5719 20.150 25.811 5.332 0.00 0.00 WT0 H +ATOM 8266 H2 TIP3 5719 19.170 24.651 5.282 0.00 0.00 WT0 H +ATOM 8267 OH2 TIP3 5720 11.820 -12.860 -17.588 0.00 0.00 WT0 O +ATOM 8268 H1 TIP3 5720 12.610 -13.400 -17.678 0.00 0.00 WT0 H +ATOM 8269 H2 TIP3 5720 12.120 -11.970 -17.798 0.00 0.00 WT0 H +ATOM 8270 OH2 TIP3 5722 -15.484 -23.011 -19.251 0.00 0.00 WT0 O +ATOM 8271 H1 TIP3 5722 -14.704 -22.631 -19.661 0.00 0.00 WT0 H +ATOM 8272 H2 TIP3 5722 -16.184 -22.851 -19.881 0.00 0.00 WT0 H +ATOM 8273 OH2 TIP3 5723 -2.055 -5.281 -4.425 0.00 0.00 WT0 O +ATOM 8274 H1 TIP3 5723 -1.355 -5.861 -4.135 0.00 0.00 WT0 H +ATOM 8275 H2 TIP3 5723 -1.775 -4.971 -5.285 0.00 0.00 WT0 H +ATOM 8276 OH2 TIP3 5727 12.826 -13.760 12.025 0.00 0.00 WT0 O +ATOM 8277 H1 TIP3 5727 13.646 -13.930 12.485 0.00 0.00 WT0 H +ATOM 8278 H2 TIP3 5727 12.156 -14.200 12.555 0.00 0.00 WT0 H +ATOM 8279 OH2 TIP3 5734 -6.302 11.489 7.155 0.00 0.00 WT0 O +ATOM 8280 H1 TIP3 5734 -5.632 10.999 6.695 0.00 0.00 WT0 H +ATOM 8281 H2 TIP3 5734 -6.652 10.879 7.795 0.00 0.00 WT0 H +ATOM 8282 OH2 TIP3 5736 -15.426 8.015 -19.709 0.00 0.00 WT0 O +ATOM 8283 H1 TIP3 5736 -15.946 7.685 -20.439 0.00 0.00 WT0 H +ATOM 8284 H2 TIP3 5736 -14.766 8.565 -20.109 0.00 0.00 WT0 H +ATOM 8285 OH2 TIP3 5738 -14.743 13.699 -6.286 0.00 0.00 WT0 O +ATOM 8286 H1 TIP3 5738 -14.213 12.909 -6.366 0.00 0.00 WT0 H +ATOM 8287 H2 TIP3 5738 -15.593 13.389 -5.996 0.00 0.00 WT0 H +ATOM 8288 OH2 TIP3 5741 25.031 -15.739 11.455 0.00 0.00 WT0 O +ATOM 8289 H1 TIP3 5741 24.441 -15.749 12.215 0.00 0.00 WT0 H +ATOM 8290 H2 TIP3 5741 25.441 -14.869 11.495 0.00 0.00 WT0 H +ATOM 8291 OH2 TIP3 5755 -8.962 13.935 -1.058 0.00 0.00 WT0 O +ATOM 8292 H1 TIP3 5755 -9.012 13.655 -1.978 0.00 0.00 WT0 H +ATOM 8293 H2 TIP3 5755 -8.562 14.805 -1.098 0.00 0.00 WT0 H +ATOM 8294 OH2 TIP3 5756 8.160 -9.206 14.312 0.00 0.00 WT0 O +ATOM 8295 H1 TIP3 5756 8.150 -8.306 14.012 0.00 0.00 WT0 H +ATOM 8296 H2 TIP3 5756 8.990 -9.566 14.002 0.00 0.00 WT0 H +ATOM 8297 OH2 TIP3 5758 -15.715 15.854 19.643 0.00 0.00 WT0 O +ATOM 8298 H1 TIP3 5758 -15.935 16.504 18.973 0.00 0.00 WT0 H +ATOM 8299 H2 TIP3 5758 -15.545 15.044 19.153 0.00 0.00 WT0 H +ATOM 8300 OH2 TIP3 5760 -10.406 -9.437 -2.579 0.00 0.00 WT0 O +ATOM 8301 H1 TIP3 5760 -9.816 -8.707 -2.389 0.00 0.00 WT0 H +ATOM 8302 H2 TIP3 5760 -9.866 -10.047 -3.089 0.00 0.00 WT0 H +ATOM 8303 OH2 TIP3 5762 9.339 -1.942 -18.512 0.00 0.00 WT0 O +ATOM 8304 H1 TIP3 5762 8.939 -1.852 -17.642 0.00 0.00 WT0 H +ATOM 8305 H2 TIP3 5762 9.889 -1.162 -18.602 0.00 0.00 WT0 H +ATOM 8306 OH2 TIP3 5764 -6.414 -24.873 -2.658 0.00 0.00 WT0 O +ATOM 8307 H1 TIP3 5764 -5.474 -24.983 -2.798 0.00 0.00 WT0 H +ATOM 8308 H2 TIP3 5764 -6.814 -25.583 -3.168 0.00 0.00 WT0 H +ATOM 8309 OH2 TIP3 5765 -3.194 -13.372 1.885 0.00 0.00 WT0 O +ATOM 8310 H1 TIP3 5765 -2.414 -12.832 1.785 0.00 0.00 WT0 H +ATOM 8311 H2 TIP3 5765 -3.924 -12.762 1.835 0.00 0.00 WT0 H +ATOM 8312 OH2 TIP3 5767 -11.403 -17.445 7.589 0.00 0.00 WT0 O +ATOM 8313 H1 TIP3 5767 -10.583 -17.495 7.089 0.00 0.00 WT0 H +ATOM 8314 H2 TIP3 5767 -11.203 -16.865 8.329 0.00 0.00 WT0 H +ATOM 8315 OH2 TIP3 5777 -7.137 -12.440 24.559 0.00 0.00 WT0 O +ATOM 8316 H1 TIP3 5777 -6.417 -12.280 23.959 0.00 0.00 WT0 H +ATOM 8317 H2 TIP3 5777 -7.927 -12.370 24.019 0.00 0.00 WT0 H +ATOM 8318 OH2 TIP3 5779 12.424 -2.326 -13.619 0.00 0.00 WT0 O +ATOM 8319 H1 TIP3 5779 13.034 -2.996 -13.929 0.00 0.00 WT0 H +ATOM 8320 H2 TIP3 5779 12.774 -1.506 -13.949 0.00 0.00 WT0 H +ATOM 8321 OH2 TIP3 5780 2.278 20.075 5.935 0.00 0.00 WT0 O +ATOM 8322 H1 TIP3 5780 1.978 20.335 5.065 0.00 0.00 WT0 H +ATOM 8323 H2 TIP3 5780 2.288 20.885 6.445 0.00 0.00 WT0 H +ATOM 8324 OH2 TIP3 5781 -13.919 -10.980 19.006 0.00 0.00 WT0 O +ATOM 8325 H1 TIP3 5781 -14.249 -11.720 19.516 0.00 0.00 WT0 H +ATOM 8326 H2 TIP3 5781 -14.429 -11.010 18.196 0.00 0.00 WT0 H +ATOM 8327 OH2 TIP3 5782 4.713 13.297 6.144 0.00 0.00 WT0 O +ATOM 8328 H1 TIP3 5782 4.373 12.617 5.554 0.00 0.00 WT0 H +ATOM 8329 H2 TIP3 5782 3.943 13.767 6.434 0.00 0.00 WT0 H +ATOM 8330 OH2 TIP3 5783 9.465 5.257 -12.653 0.00 0.00 WT0 O +ATOM 8331 H1 TIP3 5783 9.895 6.067 -12.913 0.00 0.00 WT0 H +ATOM 8332 H2 TIP3 5783 8.945 4.997 -13.423 0.00 0.00 WT0 H +ATOM 8333 OH2 TIP3 5784 19.395 -16.193 -21.057 0.00 0.00 WT0 O +ATOM 8334 H1 TIP3 5784 18.525 -16.543 -20.867 0.00 0.00 WT0 H +ATOM 8335 H2 TIP3 5784 19.995 -16.773 -20.577 0.00 0.00 WT0 H +ATOM 8336 OH2 TIP3 5785 25.025 20.783 3.184 0.00 0.00 WT0 O +ATOM 8337 H1 TIP3 5785 25.315 19.913 2.904 0.00 0.00 WT0 H +ATOM 8338 H2 TIP3 5785 25.045 20.743 4.144 0.00 0.00 WT0 H +ATOM 8339 OH2 TIP3 5786 22.806 15.902 -21.164 0.00 0.00 WT0 O +ATOM 8340 H1 TIP3 5786 23.406 15.962 -20.424 0.00 0.00 WT0 H +ATOM 8341 H2 TIP3 5786 22.616 14.972 -21.254 0.00 0.00 WT0 H +ATOM 8342 OH2 TIP3 5787 7.771 -9.126 10.526 0.00 0.00 WT0 O +ATOM 8343 H1 TIP3 5787 7.341 -9.676 9.876 0.00 0.00 WT0 H +ATOM 8344 H2 TIP3 5787 8.351 -9.726 11.006 0.00 0.00 WT0 H +ATOM 8345 OH2 TIP3 5788 16.590 -18.925 -21.795 0.00 0.00 WT0 O +ATOM 8346 H1 TIP3 5788 16.680 -18.645 -20.885 0.00 0.00 WT0 H +ATOM 8347 H2 TIP3 5788 15.940 -19.625 -21.765 0.00 0.00 WT0 H +ATOM 8348 OH2 TIP3 5790 12.301 -22.914 -10.278 0.00 0.00 WT0 O +ATOM 8349 H1 TIP3 5790 11.541 -23.494 -10.278 0.00 0.00 WT0 H +ATOM 8350 H2 TIP3 5790 13.041 -23.494 -10.448 0.00 0.00 WT0 H +ATOM 8351 OH2 TIP3 5791 21.691 15.273 -6.458 0.00 0.00 WT0 O +ATOM 8352 H1 TIP3 5791 21.031 15.593 -5.838 0.00 0.00 WT0 H +ATOM 8353 H2 TIP3 5791 22.081 14.513 -6.028 0.00 0.00 WT0 H +ATOM 8354 OH2 TIP3 5796 9.324 -22.555 -2.178 0.00 0.00 WT0 O +ATOM 8355 H1 TIP3 5796 9.804 -22.895 -2.928 0.00 0.00 WT0 H +ATOM 8356 H2 TIP3 5796 8.424 -22.465 -2.488 0.00 0.00 WT0 H +ATOM 8357 OH2 TIP3 5797 -7.022 -16.179 -16.288 0.00 0.00 WT0 O +ATOM 8358 H1 TIP3 5797 -7.802 -16.689 -16.058 0.00 0.00 WT0 H +ATOM 8359 H2 TIP3 5797 -6.562 -16.729 -16.918 0.00 0.00 WT0 H +ATOM 8360 OH2 TIP3 5799 -0.497 -22.152 21.835 0.00 0.00 WT0 O +ATOM 8361 H1 TIP3 5799 -1.317 -22.642 21.725 0.00 0.00 WT0 H +ATOM 8362 H2 TIP3 5799 -0.097 -22.162 20.965 0.00 0.00 WT0 H +ATOM 8363 OH2 TIP3 5802 8.555 -13.207 -23.681 0.00 0.00 WT0 O +ATOM 8364 H1 TIP3 5802 8.985 -13.867 -24.221 0.00 0.00 WT0 H +ATOM 8365 H2 TIP3 5802 7.705 -13.077 -24.111 0.00 0.00 WT0 H +ATOM 8366 OH2 TIP3 5803 -5.196 19.186 -10.008 0.00 0.00 WT0 O +ATOM 8367 H1 TIP3 5803 -5.836 19.866 -10.238 0.00 0.00 WT0 H +ATOM 8368 H2 TIP3 5803 -4.406 19.676 -9.768 0.00 0.00 WT0 H +ATOM 8369 OH2 TIP3 5804 21.456 2.246 10.542 0.00 0.00 WT0 O +ATOM 8370 H1 TIP3 5804 21.966 2.306 11.342 0.00 0.00 WT0 H +ATOM 8371 H2 TIP3 5804 21.566 3.096 10.112 0.00 0.00 WT0 H +ATOM 8372 OH2 TIP3 5805 20.698 -15.367 -5.074 0.00 0.00 WT0 O +ATOM 8373 H1 TIP3 5805 21.438 -15.967 -4.964 0.00 0.00 WT0 H +ATOM 8374 H2 TIP3 5805 20.218 -15.707 -5.834 0.00 0.00 WT0 H +ATOM 8375 OH2 TIP3 5806 -13.272 -14.571 -1.821 0.00 0.00 WT0 O +ATOM 8376 H1 TIP3 5806 -13.182 -15.481 -2.121 0.00 0.00 WT0 H +ATOM 8377 H2 TIP3 5806 -12.372 -14.281 -1.671 0.00 0.00 WT0 H +ATOM 8378 OH2 TIP3 5807 -10.920 -12.231 -7.793 0.00 0.00 WT0 O +ATOM 8379 H1 TIP3 5807 -10.180 -12.581 -7.293 0.00 0.00 WT0 H +ATOM 8380 H2 TIP3 5807 -11.110 -11.391 -7.383 0.00 0.00 WT0 H +ATOM 8381 OH2 TIP3 5808 -17.307 -20.420 17.279 0.00 0.00 WT0 O +ATOM 8382 H1 TIP3 5808 -17.267 -19.570 16.849 0.00 0.00 WT0 H +ATOM 8383 H2 TIP3 5808 -16.647 -20.370 17.979 0.00 0.00 WT0 H +ATOM 8384 OH2 TIP3 5809 -15.199 -7.793 -15.794 0.00 0.00 WT0 O +ATOM 8385 H1 TIP3 5809 -15.489 -6.883 -15.704 0.00 0.00 WT0 H +ATOM 8386 H2 TIP3 5809 -15.799 -8.173 -16.434 0.00 0.00 WT0 H +ATOM 8387 OH2 TIP3 5810 7.541 -20.581 24.000 0.00 0.00 WT0 O +ATOM 8388 H1 TIP3 5810 7.982 -19.751 24.170 0.00 0.00 WT0 H +ATOM 8389 H2 TIP3 5810 6.941 -20.391 23.280 0.00 0.00 WT0 H +ATOM 8390 OH2 TIP3 5812 0.386 23.834 -1.255 0.00 0.00 WT0 O +ATOM 8391 H1 TIP3 5812 -0.054 24.354 -1.925 0.00 0.00 WT0 H +ATOM 8392 H2 TIP3 5812 1.156 24.354 -1.015 0.00 0.00 WT0 H +ATOM 8393 OH2 TIP3 5818 -3.806 -23.731 -22.168 0.00 0.00 WT0 O +ATOM 8394 H1 TIP3 5818 -3.306 -23.341 -22.888 0.00 0.00 WT0 H +ATOM 8395 H2 TIP3 5818 -4.716 -23.541 -22.378 0.00 0.00 WT0 H +ATOM 8396 OH2 TIP3 5820 12.221 16.166 4.806 0.00 0.00 WT0 O +ATOM 8397 H1 TIP3 5820 11.321 16.066 5.106 0.00 0.00 WT0 H +ATOM 8398 H2 TIP3 5820 12.741 16.186 5.606 0.00 0.00 WT0 H +ATOM 8399 OH2 TIP3 5823 10.644 22.096 8.202 0.00 0.00 WT0 O +ATOM 8400 H1 TIP3 5823 11.254 22.306 8.902 0.00 0.00 WT0 H +ATOM 8401 H2 TIP3 5823 11.174 21.636 7.552 0.00 0.00 WT0 H +ATOM 8402 OH2 TIP3 5824 -21.964 -14.531 10.302 0.00 0.00 WT0 O +ATOM 8403 H1 TIP3 5824 -21.964 -15.191 11.002 0.00 0.00 WT0 H +ATOM 8404 H2 TIP3 5824 -21.514 -14.961 9.572 0.00 0.00 WT0 H +ATOM 8405 OH2 TIP3 5826 -17.394 -20.608 -7.736 0.00 0.00 WT0 O +ATOM 8406 H1 TIP3 5826 -17.454 -21.518 -8.016 0.00 0.00 WT0 H +ATOM 8407 H2 TIP3 5826 -16.824 -20.188 -8.386 0.00 0.00 WT0 H +ATOM 8408 OH2 TIP3 5829 9.624 16.040 5.496 0.00 0.00 WT0 O +ATOM 8409 H1 TIP3 5829 8.894 15.650 5.976 0.00 0.00 WT0 H +ATOM 8410 H2 TIP3 5829 9.244 16.800 5.056 0.00 0.00 WT0 H +ATOM 8411 OH2 TIP3 5830 -5.227 -11.244 -2.158 0.00 0.00 WT0 O +ATOM 8412 H1 TIP3 5830 -6.057 -11.314 -1.678 0.00 0.00 WT0 H +ATOM 8413 H2 TIP3 5830 -4.557 -11.274 -1.478 0.00 0.00 WT0 H +ATOM 8414 OH2 TIP3 5832 -3.800 -14.588 18.963 0.00 0.00 WT0 O +ATOM 8415 H1 TIP3 5832 -4.530 -15.158 19.203 0.00 0.00 WT0 H +ATOM 8416 H2 TIP3 5832 -3.180 -14.658 19.683 0.00 0.00 WT0 H +ATOM 8417 OH2 TIP3 5834 2.120 16.531 -14.833 0.00 0.00 WT0 O +ATOM 8418 H1 TIP3 5834 1.400 17.071 -14.503 0.00 0.00 WT0 H +ATOM 8419 H2 TIP3 5834 2.350 16.921 -15.673 0.00 0.00 WT0 H +ATOM 8420 OH2 TIP3 5835 -23.784 -23.045 1.312 0.00 0.00 WT0 O +ATOM 8421 H1 TIP3 5835 -22.994 -23.135 0.772 0.00 0.00 WT0 H +ATOM 8422 H2 TIP3 5835 -24.504 -23.245 0.712 0.00 0.00 WT0 H +ATOM 8423 OH2 TIP3 5836 1.239 8.623 16.251 0.00 0.00 WT0 O +ATOM 8424 H1 TIP3 5836 1.239 7.683 16.071 0.00 0.00 WT0 H +ATOM 8425 H2 TIP3 5836 1.679 9.013 15.491 0.00 0.00 WT0 H +ATOM 8426 OH2 TIP3 5837 0.819 8.965 -8.829 0.00 0.00 WT0 O +ATOM 8427 H1 TIP3 5837 1.509 8.305 -8.729 0.00 0.00 WT0 H +ATOM 8428 H2 TIP3 5837 0.739 9.365 -7.959 0.00 0.00 WT0 H +ATOM 8429 OH2 TIP3 5839 -20.157 4.429 -13.325 0.00 0.00 WT0 O +ATOM 8430 H1 TIP3 5839 -20.717 3.699 -13.575 0.00 0.00 WT0 H +ATOM 8431 H2 TIP3 5839 -19.277 4.149 -13.575 0.00 0.00 WT0 H +ATOM 8432 OH2 TIP3 5840 16.390 1.395 -9.012 0.00 0.00 WT0 O +ATOM 8433 H1 TIP3 5840 16.950 1.195 -9.762 0.00 0.00 WT0 H +ATOM 8434 H2 TIP3 5840 16.990 1.655 -8.312 0.00 0.00 WT0 H +ATOM 8435 OH2 TIP3 5841 -17.267 1.510 2.712 0.00 0.00 WT0 O +ATOM 8436 H1 TIP3 5841 -16.647 0.810 2.502 0.00 0.00 WT0 H +ATOM 8437 H2 TIP3 5841 -17.447 1.400 3.642 0.00 0.00 WT0 H +ATOM 8438 OH2 TIP3 5842 -1.007 12.649 9.490 0.00 0.00 WT0 O +ATOM 8439 H1 TIP3 5842 -0.357 13.169 9.020 0.00 0.00 WT0 H +ATOM 8440 H2 TIP3 5842 -1.317 12.019 8.830 0.00 0.00 WT0 H +ATOM 8441 OH2 TIP3 5844 -2.212 -20.505 0.220 0.00 0.00 WT0 O +ATOM 8442 H1 TIP3 5844 -3.112 -20.285 -0.020 0.00 0.00 WT0 H +ATOM 8443 H2 TIP3 5844 -1.692 -20.275 -0.550 0.00 0.00 WT0 H +ATOM 8444 OH2 TIP3 5847 18.629 -20.718 -8.260 0.00 0.00 WT0 O +ATOM 8445 H1 TIP3 5847 18.549 -21.668 -8.350 0.00 0.00 WT0 H +ATOM 8446 H2 TIP3 5847 19.339 -20.478 -8.850 0.00 0.00 WT0 H +ATOM 8447 OH2 TIP3 5848 24.533 23.514 -5.378 0.00 0.00 WT0 O +ATOM 8448 H1 TIP3 5848 24.872 23.364 -6.268 0.00 0.00 WT0 H +ATOM 8449 H2 TIP3 5848 23.723 23.994 -5.508 0.00 0.00 WT0 H +ATOM 8450 OH2 TIP3 5849 -20.800 -8.279 -2.158 0.00 0.00 WT0 O +ATOM 8451 H1 TIP3 5849 -20.510 -7.799 -2.938 0.00 0.00 WT0 H +ATOM 8452 H2 TIP3 5849 -20.000 -8.649 -1.798 0.00 0.00 WT0 H +ATOM 8453 OH2 TIP3 5859 21.817 -15.286 -19.300 0.00 0.00 WT0 O +ATOM 8454 H1 TIP3 5859 21.867 -15.916 -20.010 0.00 0.00 WT0 H +ATOM 8455 H2 TIP3 5859 22.727 -15.096 -19.080 0.00 0.00 WT0 H +ATOM 8456 OH2 TIP3 5860 -9.625 4.478 -6.892 0.00 0.00 WT0 O +ATOM 8457 H1 TIP3 5860 -8.775 4.318 -7.302 0.00 0.00 WT0 H +ATOM 8458 H2 TIP3 5860 -9.705 3.788 -6.232 0.00 0.00 WT0 H +ATOM 8459 OH2 TIP3 5861 8.193 2.405 16.243 0.00 0.00 WT0 O +ATOM 8460 H1 TIP3 5861 8.103 2.875 15.413 0.00 0.00 WT0 H +ATOM 8461 H2 TIP3 5861 8.043 3.075 16.913 0.00 0.00 WT0 H +ATOM 8462 OH2 TIP3 5862 -20.803 -12.631 -15.672 0.00 0.00 WT0 O +ATOM 8463 H1 TIP3 5862 -20.223 -11.921 -15.922 0.00 0.00 WT0 H +ATOM 8464 H2 TIP3 5862 -20.383 -13.421 -16.002 0.00 0.00 WT0 H +ATOM 8465 OH2 TIP3 5864 -6.650 -13.318 -3.548 0.00 0.00 WT0 O +ATOM 8466 H1 TIP3 5864 -5.850 -12.868 -3.268 0.00 0.00 WT0 H +ATOM 8467 H2 TIP3 5864 -6.350 -13.988 -4.158 0.00 0.00 WT0 H +ATOM 8468 OH2 TIP3 5867 11.087 9.495 -22.018 0.00 0.00 WT0 O +ATOM 8469 H1 TIP3 5867 10.657 9.535 -22.868 0.00 0.00 WT0 H +ATOM 8470 H2 TIP3 5867 10.977 10.375 -21.658 0.00 0.00 WT0 H +ATOM 8471 OH2 TIP3 5868 -4.035 -3.053 -13.090 0.00 0.00 WT0 O +ATOM 8472 H1 TIP3 5868 -4.115 -3.963 -12.800 0.00 0.00 WT0 H +ATOM 8473 H2 TIP3 5868 -4.845 -2.643 -12.790 0.00 0.00 WT0 H +ATOM 8474 OH2 TIP3 5873 -0.885 -12.165 -5.915 0.00 0.00 WT0 O +ATOM 8475 H1 TIP3 5873 0.065 -12.205 -6.015 0.00 0.00 WT0 H +ATOM 8476 H2 TIP3 5873 -1.025 -12.145 -4.975 0.00 0.00 WT0 H +ATOM 8477 OH2 TIP3 5874 -10.056 7.838 -8.800 0.00 0.00 WT0 O +ATOM 8478 H1 TIP3 5874 -10.596 7.128 -9.130 0.00 0.00 WT0 H +ATOM 8479 H2 TIP3 5874 -9.156 7.578 -9.030 0.00 0.00 WT0 H +ATOM 8480 OH2 TIP3 5881 25.343 19.905 6.032 0.00 0.00 WT0 O +ATOM 8481 H1 TIP3 5881 24.643 20.185 6.622 0.00 0.00 WT0 H +ATOM 8482 H2 TIP3 5881 25.673 19.095 6.422 0.00 0.00 WT0 H +ATOM 8483 OH2 TIP3 5884 -10.027 -23.831 -4.801 0.00 0.00 WT0 O +ATOM 8484 H1 TIP3 5884 -9.977 -24.761 -4.991 0.00 0.00 WT0 H +ATOM 8485 H2 TIP3 5884 -9.197 -23.471 -5.111 0.00 0.00 WT0 H +ATOM 8486 OH2 TIP3 5887 -18.830 20.396 -18.238 0.00 0.00 WT0 O +ATOM 8487 H1 TIP3 5887 -19.050 21.236 -17.838 0.00 0.00 WT0 H +ATOM 8488 H2 TIP3 5887 -17.950 20.206 -17.938 0.00 0.00 WT0 H +ATOM 8489 OH2 TIP3 5889 -7.897 -6.105 15.275 0.00 0.00 WT0 O +ATOM 8490 H1 TIP3 5889 -8.817 -5.945 15.485 0.00 0.00 WT0 H +ATOM 8491 H2 TIP3 5889 -7.547 -5.235 15.085 0.00 0.00 WT0 H +ATOM 8492 OH2 TIP3 5890 12.359 -18.627 -21.046 0.00 0.00 WT0 O +ATOM 8493 H1 TIP3 5890 11.589 -18.897 -20.536 0.00 0.00 WT0 H +ATOM 8494 H2 TIP3 5890 12.819 -18.017 -20.476 0.00 0.00 WT0 H +ATOM 8495 OH2 TIP3 5891 -19.132 -9.210 -9.599 0.00 0.00 WT0 O +ATOM 8496 H1 TIP3 5891 -18.352 -8.650 -9.629 0.00 0.00 WT0 H +ATOM 8497 H2 TIP3 5891 -19.842 -8.630 -9.889 0.00 0.00 WT0 H +ATOM 8498 OH2 TIP3 5894 12.373 -23.430 20.194 0.00 0.00 WT0 O +ATOM 8499 H1 TIP3 5894 12.853 -22.650 19.924 0.00 0.00 WT0 H +ATOM 8500 H2 TIP3 5894 12.473 -23.450 21.144 0.00 0.00 WT0 H +ATOM 8501 OH2 TIP3 5895 24.345 13.320 6.391 0.00 0.00 WT0 O +ATOM 8502 H1 TIP3 5895 24.735 14.160 6.171 0.00 0.00 WT0 H +ATOM 8503 H2 TIP3 5895 23.685 13.170 5.711 0.00 0.00 WT0 H +ATOM 8504 OH2 TIP3 5897 -9.648 -6.937 -2.731 0.00 0.00 WT0 O +ATOM 8505 H1 TIP3 5897 -9.359 -6.407 -1.991 0.00 0.00 WT0 H +ATOM 8506 H2 TIP3 5897 -10.499 -6.567 -2.971 0.00 0.00 WT0 H +ATOM 8507 OH2 TIP3 5899 -24.146 -7.495 0.622 0.00 0.00 WT0 O +ATOM 8508 H1 TIP3 5899 -23.316 -7.015 0.602 0.00 0.00 WT0 H +ATOM 8509 H2 TIP3 5899 -24.816 -6.825 0.462 0.00 0.00 WT0 H +ATOM 8510 OH2 TIP3 5901 -14.302 2.913 -10.962 0.00 0.00 WT0 O +ATOM 8511 H1 TIP3 5901 -15.002 2.393 -10.572 0.00 0.00 WT0 H +ATOM 8512 H2 TIP3 5901 -14.712 3.363 -11.692 0.00 0.00 WT0 H +ATOM 8513 OH2 TIP3 5903 -1.105 15.572 -9.062 0.00 0.00 WT0 O +ATOM 8514 H1 TIP3 5903 -0.365 15.052 -8.722 0.00 0.00 WT0 H +ATOM 8515 H2 TIP3 5903 -1.875 15.202 -8.642 0.00 0.00 WT0 H +ATOM 8516 OH2 TIP3 5904 4.689 0.395 4.947 0.00 0.00 WT0 O +ATOM 8517 H1 TIP3 5904 3.929 0.765 5.407 0.00 0.00 WT0 H +ATOM 8518 H2 TIP3 5904 5.069 -0.235 5.557 0.00 0.00 WT0 H +ATOM 8519 OH2 TIP3 5906 -22.320 9.983 7.668 0.00 0.00 WT0 O +ATOM 8520 H1 TIP3 5906 -23.030 9.653 7.118 0.00 0.00 WT0 H +ATOM 8521 H2 TIP3 5906 -22.500 10.913 7.758 0.00 0.00 WT0 H +ATOM 8522 OH2 TIP3 5907 -1.485 -17.097 8.995 0.00 0.00 WT0 O +ATOM 8523 H1 TIP3 5907 -1.205 -16.287 8.565 0.00 0.00 WT0 H +ATOM 8524 H2 TIP3 5907 -2.045 -17.527 8.355 0.00 0.00 WT0 H +ATOM 8525 OH2 TIP3 5908 6.308 -23.829 -22.118 0.00 0.00 WT0 O +ATOM 8526 H1 TIP3 5908 7.058 -24.249 -22.528 0.00 0.00 WT0 H +ATOM 8527 H2 TIP3 5908 6.378 -22.899 -22.368 0.00 0.00 WT0 H +ATOM 8528 OH2 TIP3 5909 -5.042 5.013 -10.181 0.00 0.00 WT0 O +ATOM 8529 H1 TIP3 5909 -4.832 5.903 -9.901 0.00 0.00 WT0 H +ATOM 8530 H2 TIP3 5909 -4.532 4.453 -9.591 0.00 0.00 WT0 H +ATOM 8531 OH2 TIP3 5912 5.401 3.033 20.264 0.00 0.00 WT0 O +ATOM 8532 H1 TIP3 5912 5.311 2.733 21.174 0.00 0.00 WT0 H +ATOM 8533 H2 TIP3 5912 4.691 2.583 19.804 0.00 0.00 WT0 H +ATOM 8534 OH2 TIP3 5914 16.198 9.011 -9.028 0.00 0.00 WT0 O +ATOM 8535 H1 TIP3 5914 16.818 9.741 -9.038 0.00 0.00 WT0 H +ATOM 8536 H2 TIP3 5914 16.708 8.281 -8.678 0.00 0.00 WT0 H +ATOM 8537 OH2 TIP3 5916 5.859 4.313 -0.584 0.00 0.00 WT0 O +ATOM 8538 H1 TIP3 5916 6.109 3.983 -1.454 0.00 0.00 WT0 H +ATOM 8539 H2 TIP3 5916 6.629 4.783 -0.274 0.00 0.00 WT0 H +ATOM 8540 OH2 TIP3 5918 -18.052 -11.938 -10.693 0.00 0.00 WT0 O +ATOM 8541 H1 TIP3 5918 -18.702 -12.368 -11.253 0.00 0.00 WT0 H +ATOM 8542 H2 TIP3 5918 -18.552 -11.668 -9.923 0.00 0.00 WT0 H +ATOM 8543 OH2 TIP3 5919 22.904 -2.994 21.012 0.00 0.00 WT0 O +ATOM 8544 H1 TIP3 5919 23.204 -2.394 20.322 0.00 0.00 WT0 H +ATOM 8545 H2 TIP3 5919 22.194 -2.534 21.442 0.00 0.00 WT0 H +ATOM 8546 OH2 TIP3 5920 14.365 4.522 9.442 0.00 0.00 WT0 O +ATOM 8547 H1 TIP3 5920 13.905 3.922 10.042 0.00 0.00 WT0 H +ATOM 8548 H2 TIP3 5920 15.105 4.852 9.952 0.00 0.00 WT0 H +ATOM 8549 OH2 TIP3 5924 23.508 -20.263 2.857 0.00 0.00 WT0 O +ATOM 8550 H1 TIP3 5924 23.928 -19.423 3.057 0.00 0.00 WT0 H +ATOM 8551 H2 TIP3 5924 23.718 -20.413 1.927 0.00 0.00 WT0 H +ATOM 8552 OH2 TIP3 5925 -24.333 -14.317 -22.765 0.00 0.00 WT0 O +ATOM 8553 H1 TIP3 5925 -25.013 -14.917 -23.055 0.00 0.00 WT0 H +ATOM 8554 H2 TIP3 5925 -23.543 -14.617 -23.225 0.00 0.00 WT0 H +ATOM 8555 OH2 TIP3 5926 22.963 -20.880 -23.908 0.00 0.00 WT0 O +ATOM 8556 H1 TIP3 5926 22.873 -21.820 -23.808 0.00 0.00 WT0 H +ATOM 8557 H2 TIP3 5926 22.073 -20.540 -23.838 0.00 0.00 WT0 H +ATOM 8558 OH2 TIP3 5927 -7.193 -6.559 3.393 0.00 0.00 WT0 O +ATOM 8559 H1 TIP3 5927 -7.763 -6.119 2.773 0.00 0.00 WT0 H +ATOM 8560 H2 TIP3 5927 -7.793 -7.009 3.993 0.00 0.00 WT0 H +ATOM 8561 OH2 TIP3 5929 0.341 -15.178 -18.411 0.00 0.00 WT0 O +ATOM 8562 H1 TIP3 5929 0.111 -14.258 -18.301 0.00 0.00 WT0 H +ATOM 8563 H2 TIP3 5929 -0.189 -15.458 -19.161 0.00 0.00 WT0 H +ATOM 8564 OH2 TIP3 5930 20.735 17.122 -20.146 0.00 0.00 WT0 O +ATOM 8565 H1 TIP3 5930 21.225 16.652 -20.816 0.00 0.00 WT0 H +ATOM 8566 H2 TIP3 5930 21.385 17.692 -19.726 0.00 0.00 WT0 H +ATOM 8567 OH2 TIP3 5931 -12.074 16.871 21.562 0.00 0.00 WT0 O +ATOM 8568 H1 TIP3 5931 -11.754 17.271 20.752 0.00 0.00 WT0 H +ATOM 8569 H2 TIP3 5931 -11.474 16.141 21.722 0.00 0.00 WT0 H +ATOM 8570 OH2 TIP3 5932 -18.169 -11.581 7.882 0.00 0.00 WT0 O +ATOM 8571 H1 TIP3 5932 -17.259 -11.351 7.722 0.00 0.00 WT0 H +ATOM 8572 H2 TIP3 5932 -18.559 -10.801 8.282 0.00 0.00 WT0 H +ATOM 8573 OH2 TIP3 5933 7.309 21.553 -7.521 0.00 0.00 WT0 O +ATOM 8574 H1 TIP3 5933 6.669 22.263 -7.471 0.00 0.00 WT0 H +ATOM 8575 H2 TIP3 5933 7.339 21.203 -6.631 0.00 0.00 WT0 H +ATOM 8576 OH2 TIP3 5937 -11.005 13.992 -4.351 0.00 0.00 WT0 O +ATOM 8577 H1 TIP3 5937 -10.225 14.492 -4.121 0.00 0.00 WT0 H +ATOM 8578 H2 TIP3 5937 -11.475 14.542 -4.981 0.00 0.00 WT0 H +ATOM 8579 OH2 TIP3 5938 -17.353 -5.381 -17.371 0.00 0.00 WT0 O +ATOM 8580 H1 TIP3 5938 -17.333 -5.811 -16.521 0.00 0.00 WT0 H +ATOM 8581 H2 TIP3 5938 -17.023 -6.041 -17.981 0.00 0.00 WT0 H +ATOM 8582 OH2 TIP3 5941 -3.506 -19.092 -10.969 0.00 0.00 WT0 O +ATOM 8583 H1 TIP3 5941 -3.246 -19.692 -11.669 0.00 0.00 WT0 H +ATOM 8584 H2 TIP3 5941 -3.636 -18.252 -11.419 0.00 0.00 WT0 H +ATOM 8585 OH2 TIP3 5946 12.870 9.623 8.512 0.00 0.00 WT0 O +ATOM 8586 H1 TIP3 5946 12.870 9.293 9.412 0.00 0.00 WT0 H +ATOM 8587 H2 TIP3 5946 13.140 8.873 7.982 0.00 0.00 WT0 H +ATOM 8588 OH2 TIP3 5948 9.243 -22.671 23.198 0.00 0.00 WT0 O +ATOM 8589 H1 TIP3 5948 8.633 -22.161 23.738 0.00 0.00 WT0 H +ATOM 8590 H2 TIP3 5948 8.753 -22.841 22.388 0.00 0.00 WT0 H +ATOM 8591 OH2 TIP3 5950 22.275 6.894 22.275 0.00 0.00 WT0 O +ATOM 8592 H1 TIP3 5950 22.595 7.414 21.535 0.00 0.00 WT0 H +ATOM 8593 H2 TIP3 5950 21.455 7.324 22.525 0.00 0.00 WT0 H +ATOM 8594 OH2 TIP3 5952 21.624 -5.868 13.272 0.00 0.00 WT0 O +ATOM 8595 H1 TIP3 5952 20.974 -6.298 12.712 0.00 0.00 WT0 H +ATOM 8596 H2 TIP3 5952 21.254 -5.918 14.152 0.00 0.00 WT0 H +ATOM 8597 OH2 TIP3 5953 -1.164 13.359 -13.678 0.00 0.00 WT0 O +ATOM 8598 H1 TIP3 5953 -0.514 13.459 -14.378 0.00 0.00 WT0 H +ATOM 8599 H2 TIP3 5953 -1.134 14.189 -13.208 0.00 0.00 WT0 H +ATOM 8600 OH2 TIP3 5954 -20.303 -11.460 -20.752 0.00 0.00 WT0 O +ATOM 8601 H1 TIP3 5954 -20.543 -11.760 -21.632 0.00 0.00 WT0 H +ATOM 8602 H2 TIP3 5954 -19.603 -12.060 -20.482 0.00 0.00 WT0 H +ATOM 8603 OH2 TIP3 5958 -20.125 -22.862 6.109 0.00 0.00 WT0 O +ATOM 8604 H1 TIP3 5958 -20.065 -22.932 5.159 0.00 0.00 WT0 H +ATOM 8605 H2 TIP3 5958 -19.225 -22.942 6.409 0.00 0.00 WT0 H +ATOM 8606 OH2 TIP3 5962 -19.321 -14.838 -16.895 0.00 0.00 WT0 O +ATOM 8607 H1 TIP3 5962 -19.161 -15.618 -16.375 0.00 0.00 WT0 H +ATOM 8608 H2 TIP3 5962 -18.801 -14.978 -17.695 0.00 0.00 WT0 H +ATOM 8609 OH2 TIP3 5965 5.136 13.424 -24.578 0.00 0.00 WT0 O +ATOM 8610 H1 TIP3 5965 5.316 13.934 -23.778 0.00 0.00 WT0 H +ATOM 8611 H2 TIP3 5965 4.436 12.824 -24.328 0.00 0.00 WT0 H +ATOM 8612 OH2 TIP3 5966 -5.375 18.636 7.269 0.00 0.00 WT0 O +ATOM 8613 H1 TIP3 5966 -4.715 19.286 7.489 0.00 0.00 WT0 H +ATOM 8614 H2 TIP3 5966 -5.345 18.566 6.319 0.00 0.00 WT0 H +ATOM 8615 OH2 TIP3 5967 13.167 0.739 17.417 0.00 0.00 WT0 O +ATOM 8616 H1 TIP3 5967 12.707 -0.031 17.097 0.00 0.00 WT0 H +ATOM 8617 H2 TIP3 5967 13.707 1.019 16.677 0.00 0.00 WT0 H +ATOM 8618 OH2 TIP3 5969 -15.029 -5.947 4.417 0.00 0.00 WT0 O +ATOM 8619 H1 TIP3 5969 -15.719 -6.607 4.337 0.00 0.00 WT0 H +ATOM 8620 H2 TIP3 5969 -15.059 -5.687 5.347 0.00 0.00 WT0 H +ATOM 8621 OH2 TIP3 5971 15.915 -4.778 11.023 0.00 0.00 WT0 O +ATOM 8622 H1 TIP3 5971 16.195 -4.138 11.683 0.00 0.00 WT0 H +ATOM 8623 H2 TIP3 5971 16.235 -5.618 11.353 0.00 0.00 WT0 H +ATOM 8624 OH2 TIP3 5972 20.225 2.851 4.265 0.00 0.00 WT0 O +ATOM 8625 H1 TIP3 5972 20.325 3.341 3.455 0.00 0.00 WT0 H +ATOM 8626 H2 TIP3 5972 20.385 1.941 4.015 0.00 0.00 WT0 H +ATOM 8627 OH2 TIP3 5973 0.810 -18.928 3.651 0.00 0.00 WT0 O +ATOM 8628 H1 TIP3 5973 -0.110 -19.148 3.821 0.00 0.00 WT0 H +ATOM 8629 H2 TIP3 5973 1.190 -19.738 3.321 0.00 0.00 WT0 H +ATOM 8630 OH2 TIP3 5975 -16.735 -5.277 16.705 0.00 0.00 WT0 O +ATOM 8631 H1 TIP3 5975 -16.855 -4.327 16.765 0.00 0.00 WT0 H +ATOM 8632 H2 TIP3 5975 -17.575 -5.607 16.375 0.00 0.00 WT0 H +ATOM 8633 OH2 TIP3 5976 18.857 -9.585 20.605 0.00 0.00 WT0 O +ATOM 8634 H1 TIP3 5976 19.317 -10.215 21.155 0.00 0.00 WT0 H +ATOM 8635 H2 TIP3 5976 17.937 -9.835 20.695 0.00 0.00 WT0 H +ATOM 8636 OH2 TIP3 5977 17.811 -13.035 -20.777 0.00 0.00 WT0 O +ATOM 8637 H1 TIP3 5977 17.131 -13.605 -20.437 0.00 0.00 WT0 H +ATOM 8638 H2 TIP3 5977 18.051 -12.475 -20.037 0.00 0.00 WT0 H +ATOM 8639 OH2 TIP3 5978 6.901 -21.816 2.499 0.00 0.00 WT0 O +ATOM 8640 H1 TIP3 5978 7.801 -21.686 2.199 0.00 0.00 WT0 H +ATOM 8641 H2 TIP3 5978 6.491 -22.326 1.799 0.00 0.00 WT0 H +ATOM 8642 OH2 TIP3 5984 -16.404 -19.190 14.105 0.00 0.00 WT0 O +ATOM 8643 H1 TIP3 5984 -15.634 -18.780 13.705 0.00 0.00 WT0 H +ATOM 8644 H2 TIP3 5984 -16.834 -18.480 14.575 0.00 0.00 WT0 H +ATOM 8645 OH2 TIP3 5985 16.844 -20.109 11.706 0.00 0.00 WT0 O +ATOM 8646 H1 TIP3 5985 17.314 -19.439 12.186 0.00 0.00 WT0 H +ATOM 8647 H2 TIP3 5985 15.954 -20.089 12.066 0.00 0.00 WT0 H +ATOM 8648 OH2 TIP3 5986 -14.363 16.304 -0.877 0.00 0.00 WT0 O +ATOM 8649 H1 TIP3 5986 -14.553 15.374 -0.987 0.00 0.00 WT0 H +ATOM 8650 H2 TIP3 5986 -13.863 16.354 -0.067 0.00 0.00 WT0 H +ATOM 8651 OH2 TIP3 5987 11.602 13.295 12.402 0.00 0.00 WT0 O +ATOM 8652 H1 TIP3 5987 12.531 13.125 12.302 0.00 0.00 WT0 H +ATOM 8653 H2 TIP3 5987 11.231 13.155 11.532 0.00 0.00 WT0 H +ATOM 8654 OH2 TIP3 5988 19.177 -3.851 10.164 0.00 0.00 WT0 O +ATOM 8655 H1 TIP3 5988 18.517 -3.171 10.114 0.00 0.00 WT0 H +ATOM 8656 H2 TIP3 5988 19.497 -3.951 9.264 0.00 0.00 WT0 H +ATOM 8657 OH2 TIP3 5989 21.374 -13.636 12.422 0.00 0.00 WT0 O +ATOM 8658 H1 TIP3 5989 21.224 -14.226 13.162 0.00 0.00 WT0 H +ATOM 8659 H2 TIP3 5989 21.634 -14.216 11.702 0.00 0.00 WT0 H +ATOM 8660 OH2 TIP3 5990 -13.303 -10.517 -11.159 0.00 0.00 WT0 O +ATOM 8661 H1 TIP3 5990 -13.283 -10.457 -12.109 0.00 0.00 WT0 H +ATOM 8662 H2 TIP3 5990 -12.693 -11.217 -10.939 0.00 0.00 WT0 H +ATOM 8663 OH2 TIP3 5992 -20.203 -2.752 -23.570 0.00 0.00 WT0 O +ATOM 8664 H1 TIP3 5992 -19.453 -2.882 -24.140 0.00 0.00 WT0 H +ATOM 8665 H2 TIP3 5992 -19.873 -2.212 -22.850 0.00 0.00 WT0 H +ATOM 8666 OH2 TIP3 5994 23.800 23.274 3.472 0.00 0.00 WT0 O +ATOM 8667 H1 TIP3 5994 24.450 23.954 3.302 0.00 0.00 WT0 H +ATOM 8668 H2 TIP3 5994 24.290 22.454 3.422 0.00 0.00 WT0 H +ATOM 8669 OH2 TIP3 5997 8.875 24.913 -3.828 0.00 0.00 WT0 O +ATOM 8670 H1 TIP3 5997 8.145 25.503 -3.978 0.00 0.00 WT0 H +ATOM 8671 H2 TIP3 5997 8.525 24.033 -3.968 0.00 0.00 WT0 H +ATOM 8672 OH2 TIP3 6000 13.160 7.843 -9.523 0.00 0.00 WT0 O +ATOM 8673 H1 TIP3 6000 12.440 8.463 -9.613 0.00 0.00 WT0 H +ATOM 8674 H2 TIP3 6000 13.870 8.353 -9.123 0.00 0.00 WT0 H +ATOM 8675 OH2 TIP3 6001 9.857 -18.762 -15.138 0.00 0.00 WT0 O +ATOM 8676 H1 TIP3 6001 8.957 -18.602 -14.848 0.00 0.00 WT0 H +ATOM 8677 H2 TIP3 6001 10.307 -19.092 -14.358 0.00 0.00 WT0 H +ATOM 8678 OH2 TIP3 6004 -15.487 -10.719 -0.904 0.00 0.00 WT0 O +ATOM 8679 H1 TIP3 6004 -16.087 -10.269 -1.494 0.00 0.00 WT0 H +ATOM 8680 H2 TIP3 6004 -15.697 -11.649 -0.994 0.00 0.00 WT0 H +ATOM 8681 OH2 TIP3 6005 0.238 -2.137 0.526 0.00 0.00 WT0 O +ATOM 8682 H1 TIP3 6005 0.348 -2.717 -0.224 0.00 0.00 WT0 H +ATOM 8683 H2 TIP3 6005 -0.692 -1.927 0.526 0.00 0.00 WT0 H +ATOM 8684 OH2 TIP3 6006 23.058 -15.856 13.483 0.00 0.00 WT0 O +ATOM 8685 H1 TIP3 6006 22.878 -15.846 14.423 0.00 0.00 WT0 H +ATOM 8686 H2 TIP3 6006 23.058 -16.786 13.253 0.00 0.00 WT0 H +ATOM 8687 OH2 TIP3 6008 14.607 -4.062 -25.418 0.00 0.00 WT0 O +ATOM 8688 H1 TIP3 6008 15.077 -3.232 -25.338 0.00 0.00 WT0 H +ATOM 8689 H2 TIP3 6008 14.387 -4.302 -24.518 0.00 0.00 WT0 H +ATOM 8690 OH2 TIP3 6012 13.878 9.684 2.562 0.00 0.00 WT0 O +ATOM 8691 H1 TIP3 6012 13.858 8.874 3.072 0.00 0.00 WT0 H +ATOM 8692 H2 TIP3 6012 13.618 10.364 3.182 0.00 0.00 WT0 H +ATOM 8693 OH2 TIP3 6014 -21.331 -13.083 15.122 0.00 0.00 WT0 O +ATOM 8694 H1 TIP3 6014 -20.771 -13.793 15.452 0.00 0.00 WT0 H +ATOM 8695 H2 TIP3 6014 -20.761 -12.593 14.532 0.00 0.00 WT0 H +ATOM 8696 OH2 TIP3 6016 4.886 11.021 11.281 0.00 0.00 WT0 O +ATOM 8697 H1 TIP3 6016 5.306 11.881 11.381 0.00 0.00 WT0 H +ATOM 8698 H2 TIP3 6016 5.496 10.511 10.761 0.00 0.00 WT0 H +ATOM 8699 OH2 TIP3 6017 12.511 7.090 -15.026 0.00 0.00 WT0 O +ATOM 8700 H1 TIP3 6017 13.281 7.050 -14.466 0.00 0.00 WT0 H +ATOM 8701 H2 TIP3 6017 12.861 7.050 -15.916 0.00 0.00 WT0 H +ATOM 8702 OH2 TIP3 6019 -16.066 3.019 9.720 0.00 0.00 WT0 O +ATOM 8703 H1 TIP3 6019 -16.086 2.129 10.080 0.00 0.00 WT0 H +ATOM 8704 H2 TIP3 6019 -15.586 2.929 8.900 0.00 0.00 WT0 H +ATOM 8705 OH2 TIP3 6021 -4.569 1.621 16.080 0.00 0.00 WT0 O +ATOM 8706 H1 TIP3 6021 -5.269 2.021 16.600 0.00 0.00 WT0 H +ATOM 8707 H2 TIP3 6021 -3.949 2.331 15.940 0.00 0.00 WT0 H +ATOM 8708 OH2 TIP3 6022 11.268 1.567 -7.747 0.00 0.00 WT0 O +ATOM 8709 H1 TIP3 6022 11.088 2.207 -7.067 0.00 0.00 WT0 H +ATOM 8710 H2 TIP3 6022 11.608 2.077 -8.487 0.00 0.00 WT0 H +ATOM 8711 OH2 TIP3 6031 16.489 13.921 24.951 0.00 0.00 WT0 O +ATOM 8712 H1 TIP3 6031 17.279 14.401 25.211 0.00 0.00 WT0 H +ATOM 8713 H2 TIP3 6031 16.809 13.201 24.411 0.00 0.00 WT0 H +ATOM 8714 OH2 TIP3 6034 -21.426 1.903 -23.706 0.00 0.00 WT0 O +ATOM 8715 H1 TIP3 6034 -20.766 1.323 -23.316 0.00 0.00 WT0 H +ATOM 8716 H2 TIP3 6034 -21.876 2.293 -22.956 0.00 0.00 WT0 H +ATOM 8717 OH2 TIP3 6036 8.436 -22.683 14.252 0.00 0.00 WT0 O +ATOM 8718 H1 TIP3 6036 7.966 -21.863 14.062 0.00 0.00 WT0 H +ATOM 8719 H2 TIP3 6036 9.276 -22.393 14.602 0.00 0.00 WT0 H +ATOM 8720 OH2 TIP3 6038 15.314 7.495 -16.004 0.00 0.00 WT0 O +ATOM 8721 H1 TIP3 6038 15.134 8.425 -16.124 0.00 0.00 WT0 H +ATOM 8722 H2 TIP3 6038 15.874 7.455 -15.224 0.00 0.00 WT0 H +ATOM 8723 OH2 TIP3 6041 -7.416 24.229 -21.014 0.00 0.00 WT0 O +ATOM 8724 H1 TIP3 6041 -7.776 23.439 -20.614 0.00 0.00 WT0 H +ATOM 8725 H2 TIP3 6041 -6.776 23.899 -21.654 0.00 0.00 WT0 H +ATOM 8726 OH2 TIP3 6042 22.610 -8.109 21.891 0.00 0.00 WT0 O +ATOM 8727 H1 TIP3 6042 23.550 -7.979 22.051 0.00 0.00 WT0 H +ATOM 8728 H2 TIP3 6042 22.200 -7.299 22.181 0.00 0.00 WT0 H +ATOM 8729 OH2 TIP3 6046 -10.356 -10.576 11.880 0.00 0.00 WT0 O +ATOM 8730 H1 TIP3 6046 -10.266 -11.306 12.490 0.00 0.00 WT0 H +ATOM 8731 H2 TIP3 6046 -10.556 -9.826 12.430 0.00 0.00 WT0 H +ATOM 8732 OH2 TIP3 6048 -21.674 -18.718 5.445 0.00 0.00 WT0 O +ATOM 8733 H1 TIP3 6048 -22.254 -18.428 6.155 0.00 0.00 WT0 H +ATOM 8734 H2 TIP3 6048 -20.794 -18.588 5.795 0.00 0.00 WT0 H +ATOM 8735 OH2 TIP3 6057 -8.881 -11.958 14.649 0.00 0.00 WT0 O +ATOM 8736 H1 TIP3 6057 -9.431 -12.088 15.419 0.00 0.00 WT0 H +ATOM 8737 H2 TIP3 6057 -8.521 -11.078 14.759 0.00 0.00 WT0 H +ATOM 8738 OH2 TIP3 6060 -17.592 -11.102 -16.187 0.00 0.00 WT0 O +ATOM 8739 H1 TIP3 6060 -17.622 -10.162 -15.987 0.00 0.00 WT0 H +ATOM 8740 H2 TIP3 6060 -17.672 -11.532 -15.337 0.00 0.00 WT0 H +ATOM 8741 OH2 TIP3 6061 -16.722 -18.742 23.839 0.00 0.00 WT0 O +ATOM 8742 H1 TIP3 6061 -17.372 -19.012 24.489 0.00 0.00 WT0 H +ATOM 8743 H2 TIP3 6061 -15.922 -18.592 24.349 0.00 0.00 WT0 H +ATOM 8744 OH2 TIP3 6068 4.106 -4.626 -3.708 0.00 0.00 WT0 O +ATOM 8745 H1 TIP3 6068 4.436 -4.986 -2.888 0.00 0.00 WT0 H +ATOM 8746 H2 TIP3 6068 4.296 -5.296 -4.368 0.00 0.00 WT0 H +ATOM 8747 OH2 TIP3 6080 15.178 -9.757 -20.861 0.00 0.00 WT0 O +ATOM 8748 H1 TIP3 6080 15.148 -10.097 -21.751 0.00 0.00 WT0 H +ATOM 8749 H2 TIP3 6080 14.748 -8.907 -20.911 0.00 0.00 WT0 H +ATOM 8750 OH2 TIP3 6082 4.741 0.701 -18.457 0.00 0.00 WT0 O +ATOM 8751 H1 TIP3 6082 5.651 0.611 -18.757 0.00 0.00 WT0 H +ATOM 8752 H2 TIP3 6082 4.421 -0.199 -18.377 0.00 0.00 WT0 H +ATOM 8753 OH2 TIP3 6090 -2.301 -6.999 14.401 0.00 0.00 WT0 O +ATOM 8754 H1 TIP3 6090 -2.771 -7.199 13.591 0.00 0.00 WT0 H +ATOM 8755 H2 TIP3 6090 -2.481 -6.069 14.561 0.00 0.00 WT0 H +ATOM 8756 OH2 TIP3 6091 -18.474 6.570 22.515 0.00 0.00 WT0 O +ATOM 8757 H1 TIP3 6091 -18.734 7.420 22.885 0.00 0.00 WT0 H +ATOM 8758 H2 TIP3 6091 -19.304 6.100 22.415 0.00 0.00 WT0 H +ATOM 8759 OH2 TIP3 6096 4.238 -22.075 -13.246 0.00 0.00 WT0 O +ATOM 8760 H1 TIP3 6096 3.328 -21.765 -13.216 0.00 0.00 WT0 H +ATOM 8761 H2 TIP3 6096 4.618 -21.625 -13.996 0.00 0.00 WT0 H +ATOM 8762 OH2 TIP3 6110 10.236 2.761 25.305 0.00 0.00 WT0 O +ATOM 8763 H1 TIP3 6110 10.956 3.391 25.355 0.00 0.00 WT0 H +ATOM 8764 H2 TIP3 6110 10.446 2.211 24.555 0.00 0.00 WT0 H +ATOM 8765 OH2 TIP3 6117 13.219 -12.279 20.249 0.00 0.00 WT0 O +ATOM 8766 H1 TIP3 6117 13.699 -12.749 20.939 0.00 0.00 WT0 H +ATOM 8767 H2 TIP3 6117 12.929 -11.469 20.669 0.00 0.00 WT0 H +ATOM 8768 OH2 TIP3 6118 -13.890 23.513 0.452 0.00 0.00 WT0 O +ATOM 8769 H1 TIP3 6118 -13.700 22.973 -0.318 0.00 0.00 WT0 H +ATOM 8770 H2 TIP3 6118 -13.380 24.313 0.312 0.00 0.00 WT0 H +ATOM 8771 OH2 TIP3 6122 -8.445 -2.818 -16.545 0.00 0.00 WT0 O +ATOM 8772 H1 TIP3 6122 -7.605 -2.858 -16.095 0.00 0.00 WT0 H +ATOM 8773 H2 TIP3 6122 -8.755 -1.918 -16.405 0.00 0.00 WT0 H +ATOM 8774 OH2 TIP3 6123 -22.314 -15.422 24.575 0.00 0.00 WT0 O +ATOM 8775 H1 TIP3 6123 -21.774 -16.212 24.495 0.00 0.00 WT0 H +ATOM 8776 H2 TIP3 6123 -21.734 -14.782 24.985 0.00 0.00 WT0 H +ATOM 8777 OH2 TIP3 6124 -12.029 4.642 -16.345 0.00 0.00 WT0 O +ATOM 8778 H1 TIP3 6124 -12.229 3.982 -15.675 0.00 0.00 WT0 H +ATOM 8779 H2 TIP3 6124 -12.709 5.302 -16.225 0.00 0.00 WT0 H +ATOM 8780 OH2 TIP3 6129 -12.192 5.399 -20.165 0.00 0.00 WT0 O +ATOM 8781 H1 TIP3 6129 -11.702 5.509 -19.345 0.00 0.00 WT0 H +ATOM 8782 H2 TIP3 6129 -13.042 5.039 -19.885 0.00 0.00 WT0 H +ATOM 8783 OH2 TIP3 6136 -21.925 6.151 13.616 0.00 0.00 WT0 O +ATOM 8784 H1 TIP3 6136 -22.265 5.771 12.806 0.00 0.00 WT0 H +ATOM 8785 H2 TIP3 6136 -21.425 5.431 14.026 0.00 0.00 WT0 H +ATOM 8786 OH2 TIP3 6138 -0.060 -10.090 14.492 0.00 0.00 WT0 O +ATOM 8787 H1 TIP3 6138 -0.040 -10.890 15.012 0.00 0.00 WT0 H +ATOM 8788 H2 TIP3 6138 0.770 -9.660 14.672 0.00 0.00 WT0 H +ATOM 8789 OH2 TIP3 6139 -2.513 -6.750 0.099 0.00 0.00 WT0 O +ATOM 8790 H1 TIP3 6139 -3.073 -6.820 -0.661 0.00 0.00 WT0 H +ATOM 8791 H2 TIP3 6139 -2.623 -5.850 0.399 0.00 0.00 WT0 H +ATOM 8792 OH2 TIP3 6146 4.501 3.112 13.542 0.00 0.00 WT0 O +ATOM 8793 H1 TIP3 6146 4.471 2.712 14.412 0.00 0.00 WT0 H +ATOM 8794 H2 TIP3 6146 3.631 3.502 13.432 0.00 0.00 WT0 H +ATOM 8795 OH2 TIP3 6157 -10.092 -11.453 -25.100 0.00 0.00 WT0 O +ATOM 8796 H1 TIP3 6157 -10.632 -11.943 -24.480 0.00 0.00 WT0 H +ATOM 8797 H2 TIP3 6157 -9.602 -12.123 -25.580 0.00 0.00 WT0 H +ATOM 8798 OH2 TIP3 6158 -1.393 -8.152 -17.663 0.00 0.00 WT0 O +ATOM 8799 H1 TIP3 6158 -2.213 -8.572 -17.923 0.00 0.00 WT0 H +ATOM 8800 H2 TIP3 6158 -1.383 -7.332 -18.163 0.00 0.00 WT0 H +ATOM 8801 OH2 TIP3 6161 -15.065 23.866 13.438 0.00 0.00 WT0 O +ATOM 8802 H1 TIP3 6161 -15.815 24.366 13.128 0.00 0.00 WT0 H +ATOM 8803 H2 TIP3 6161 -15.285 23.646 14.348 0.00 0.00 WT0 H +ATOM 8804 OH2 TIP3 6163 -16.115 24.651 -23.188 0.00 0.00 WT0 O +ATOM 8805 H1 TIP3 6163 -17.035 24.661 -22.918 0.00 0.00 WT0 H +ATOM 8806 H2 TIP3 6163 -15.755 23.861 -22.778 0.00 0.00 WT0 H +ATOM 8807 OH2 TIP3 6177 -12.190 -7.395 -1.359 0.00 0.00 WT0 O +ATOM 8808 H1 TIP3 6177 -11.570 -7.215 -0.649 0.00 0.00 WT0 H +ATOM 8809 H2 TIP3 6177 -11.730 -8.005 -1.929 0.00 0.00 WT0 H +ATOM 8810 OH2 TIP3 6178 23.220 -11.095 20.816 0.00 0.00 WT0 O +ATOM 8811 H1 TIP3 6178 22.680 -11.305 20.056 0.00 0.00 WT0 H +ATOM 8812 H2 TIP3 6178 22.800 -10.335 21.206 0.00 0.00 WT0 H +ATOM 8813 OH2 TIP3 6180 11.965 -0.799 -2.424 0.00 0.00 WT0 O +ATOM 8814 H1 TIP3 6180 11.575 -1.519 -2.904 0.00 0.00 WT0 H +ATOM 8815 H2 TIP3 6180 12.255 -0.179 -3.094 0.00 0.00 WT0 H +ATOM 8816 OH2 TIP3 6183 18.454 22.964 7.957 0.00 0.00 WT0 O +ATOM 8817 H1 TIP3 6183 18.874 22.124 8.107 0.00 0.00 WT0 H +ATOM 8818 H2 TIP3 6183 19.174 23.604 7.997 0.00 0.00 WT0 H +ATOM 8819 OH2 TIP3 6184 17.196 21.186 -20.065 0.00 0.00 WT0 O +ATOM 8820 H1 TIP3 6184 16.436 21.716 -20.335 0.00 0.00 WT0 H +ATOM 8821 H2 TIP3 6184 17.016 20.966 -19.155 0.00 0.00 WT0 H +ATOM 8822 OH2 TIP3 6187 1.763 3.185 17.370 0.00 0.00 WT0 O +ATOM 8823 H1 TIP3 6187 1.313 3.935 17.760 0.00 0.00 WT0 H +ATOM 8824 H2 TIP3 6187 2.653 3.235 17.720 0.00 0.00 WT0 H +ATOM 8825 OH2 TIP3 6188 -6.776 7.107 -7.837 0.00 0.00 WT0 O +ATOM 8826 H1 TIP3 6188 -6.606 7.637 -7.057 0.00 0.00 WT0 H +ATOM 8827 H2 TIP3 6188 -6.636 6.207 -7.557 0.00 0.00 WT0 H +ATOM 8828 OH2 TIP3 6193 -19.035 24.683 17.044 0.00 0.00 WT0 O +ATOM 8829 H1 TIP3 6193 -19.125 25.613 16.874 0.00 0.00 WT0 H +ATOM 8830 H2 TIP3 6193 -19.935 24.383 17.214 0.00 0.00 WT0 H +ATOM 8831 OH2 TIP3 6195 2.659 -0.474 14.573 0.00 0.00 WT0 O +ATOM 8832 H1 TIP3 6195 3.099 -0.394 13.723 0.00 0.00 WT0 H +ATOM 8833 H2 TIP3 6195 2.879 0.336 15.033 0.00 0.00 WT0 H +ATOM 8834 OH2 TIP3 6198 -5.407 -0.090 -11.164 0.00 0.00 WT0 O +ATOM 8835 H1 TIP3 6198 -5.907 0.590 -10.714 0.00 0.00 WT0 H +ATOM 8836 H2 TIP3 6198 -5.787 -0.130 -12.034 0.00 0.00 WT0 H +ATOM 8837 OH2 TIP3 6200 -3.446 -22.815 18.150 0.00 0.00 WT0 O +ATOM 8838 H1 TIP3 6200 -2.956 -22.665 17.330 0.00 0.00 WT0 H +ATOM 8839 H2 TIP3 6200 -4.286 -22.385 18.010 0.00 0.00 WT0 H +ATOM 8840 OH2 TIP3 6204 5.846 12.880 23.167 0.00 0.00 WT0 O +ATOM 8841 H1 TIP3 6204 6.716 13.270 23.217 0.00 0.00 WT0 H +ATOM 8842 H2 TIP3 6204 5.586 12.730 24.077 0.00 0.00 WT0 H +ATOM 8843 OH2 TIP3 6208 -8.395 8.663 -16.673 0.00 0.00 WT0 O +ATOM 8844 H1 TIP3 6208 -7.995 7.923 -16.213 0.00 0.00 WT0 H +ATOM 8845 H2 TIP3 6208 -9.335 8.553 -16.523 0.00 0.00 WT0 H +ATOM 8846 OH2 TIP3 6218 13.109 -12.420 8.127 0.00 0.00 WT0 O +ATOM 8847 H1 TIP3 6218 12.489 -12.110 8.787 0.00 0.00 WT0 H +ATOM 8848 H2 TIP3 6218 13.089 -11.760 7.437 0.00 0.00 WT0 H +ATOM 8849 OH2 TIP3 6219 2.241 -15.372 10.681 0.00 0.00 WT0 O +ATOM 8850 H1 TIP3 6219 2.921 -15.902 11.101 0.00 0.00 WT0 H +ATOM 8851 H2 TIP3 6219 1.421 -15.722 11.021 0.00 0.00 WT0 H +ATOM 8852 OH2 TIP3 6220 9.441 11.630 19.461 0.00 0.00 WT0 O +ATOM 8853 H1 TIP3 6220 10.131 12.060 19.971 0.00 0.00 WT0 H +ATOM 8854 H2 TIP3 6220 8.661 12.160 19.611 0.00 0.00 WT0 H +ATOM 8855 OH2 TIP3 6224 -8.154 -11.775 -1.645 0.00 0.00 WT0 O +ATOM 8856 H1 TIP3 6224 -8.174 -12.105 -0.745 0.00 0.00 WT0 H +ATOM 8857 H2 TIP3 6224 -7.764 -12.475 -2.155 0.00 0.00 WT0 H +ATOM 8858 OH2 TIP3 6225 -7.433 3.564 -4.860 0.00 0.00 WT0 O +ATOM 8859 H1 TIP3 6225 -7.863 2.944 -4.280 0.00 0.00 WT0 H +ATOM 8860 H2 TIP3 6225 -6.493 3.434 -4.690 0.00 0.00 WT0 H +ATOM 8861 OH2 TIP3 6227 -2.134 -24.461 3.931 0.00 0.00 WT0 O +ATOM 8862 H1 TIP3 6227 -2.214 -23.901 3.161 0.00 0.00 WT0 H +ATOM 8863 H2 TIP3 6227 -2.064 -25.351 3.561 0.00 0.00 WT0 H +ATOM 8864 OH2 TIP3 6228 -3.192 -0.908 -19.681 0.00 0.00 WT0 O +ATOM 8865 H1 TIP3 6228 -3.722 -0.908 -20.481 0.00 0.00 WT0 H +ATOM 8866 H2 TIP3 6228 -2.292 -0.778 -19.981 0.00 0.00 WT0 H +ATOM 8867 OH2 TIP3 6229 5.021 -8.725 -11.530 0.00 0.00 WT0 O +ATOM 8868 H1 TIP3 6229 4.741 -9.565 -11.160 0.00 0.00 WT0 H +ATOM 8869 H2 TIP3 6229 5.621 -8.965 -12.240 0.00 0.00 WT0 H +ATOM 8870 OH2 TIP3 6230 -18.242 -23.878 -7.935 0.00 0.00 WT0 O +ATOM 8871 H1 TIP3 6230 -17.832 -24.738 -7.865 0.00 0.00 WT0 H +ATOM 8872 H2 TIP3 6230 -19.172 -24.038 -7.775 0.00 0.00 WT0 H +ATOM 8873 OH2 TIP3 6231 11.060 -1.143 21.606 0.00 0.00 WT0 O +ATOM 8874 H1 TIP3 6231 11.320 -0.393 21.066 0.00 0.00 WT0 H +ATOM 8875 H2 TIP3 6231 11.880 -1.513 21.926 0.00 0.00 WT0 H +ATOM 8876 OH2 TIP3 6233 -4.672 -22.390 -3.528 0.00 0.00 WT0 O +ATOM 8877 H1 TIP3 6233 -4.502 -22.030 -4.398 0.00 0.00 WT0 H +ATOM 8878 H2 TIP3 6233 -4.662 -21.630 -2.948 0.00 0.00 WT0 H +ATOM 8879 OH2 TIP3 6238 15.261 14.913 9.140 0.00 0.00 WT0 O +ATOM 8880 H1 TIP3 6238 15.821 15.633 8.860 0.00 0.00 WT0 H +ATOM 8881 H2 TIP3 6238 14.771 15.263 9.890 0.00 0.00 WT0 H +ATOM 8882 OH2 TIP3 6240 15.090 -17.839 -24.704 0.00 0.00 WT0 O +ATOM 8883 H1 TIP3 6240 14.550 -18.189 -24.004 0.00 0.00 WT0 H +ATOM 8884 H2 TIP3 6240 15.120 -18.529 -25.364 0.00 0.00 WT0 H +ATOM 8885 OH2 TIP3 6241 -14.103 9.754 20.728 0.00 0.00 WT0 O +ATOM 8886 H1 TIP3 6241 -14.753 9.394 20.128 0.00 0.00 WT0 H +ATOM 8887 H2 TIP3 6241 -14.613 10.264 21.358 0.00 0.00 WT0 H +ATOM 8888 OH2 TIP3 6242 9.151 -1.234 9.914 0.00 0.00 WT0 O +ATOM 8889 H1 TIP3 6242 9.141 -0.974 8.984 0.00 0.00 WT0 H +ATOM 8890 H2 TIP3 6242 9.931 -0.794 10.264 0.00 0.00 WT0 H +ATOM 8891 OH2 TIP3 6243 -23.174 -16.544 20.806 0.00 0.00 WT0 O +ATOM 8892 H1 TIP3 6243 -23.494 -16.524 21.706 0.00 0.00 WT0 H +ATOM 8893 H2 TIP3 6243 -22.484 -15.884 20.786 0.00 0.00 WT0 H +ATOM 8894 OH2 TIP3 6245 12.970 -10.381 12.407 0.00 0.00 WT0 O +ATOM 8895 H1 TIP3 6245 13.040 -9.471 12.097 0.00 0.00 WT0 H +ATOM 8896 H2 TIP3 6245 13.370 -10.361 13.277 0.00 0.00 WT0 H +ATOM 8897 OH2 TIP3 6246 8.773 -12.430 0.239 0.00 0.00 WT0 O +ATOM 8898 H1 TIP3 6246 9.423 -12.960 0.699 0.00 0.00 WT0 H +ATOM 8899 H2 TIP3 6246 8.093 -13.060 -0.021 0.00 0.00 WT0 H +ATOM 8900 OH2 TIP3 6247 -13.121 0.907 -22.772 0.00 0.00 WT0 O +ATOM 8901 H1 TIP3 6247 -14.011 0.847 -23.112 0.00 0.00 WT0 H +ATOM 8902 H2 TIP3 6247 -12.871 1.817 -22.902 0.00 0.00 WT0 H +ATOM 8903 OH2 TIP3 6249 -19.006 -16.496 -4.278 0.00 0.00 WT0 O +ATOM 8904 H1 TIP3 6249 -18.076 -16.656 -4.118 0.00 0.00 WT0 H +ATOM 8905 H2 TIP3 6249 -19.306 -17.276 -4.748 0.00 0.00 WT0 H +ATOM 8906 OH2 TIP3 6250 11.204 20.420 -8.729 0.00 0.00 WT0 O +ATOM 8907 H1 TIP3 6250 11.874 20.370 -8.049 0.00 0.00 WT0 H +ATOM 8908 H2 TIP3 6250 10.464 19.930 -8.379 0.00 0.00 WT0 H +ATOM 8909 OH2 TIP3 6252 -7.210 -7.838 18.800 0.00 0.00 WT0 O +ATOM 8910 H1 TIP3 6252 -7.480 -7.128 18.210 0.00 0.00 WT0 H +ATOM 8911 H2 TIP3 6252 -6.320 -8.048 18.530 0.00 0.00 WT0 H +ATOM 8912 OH2 TIP3 6253 20.876 2.478 -12.593 0.00 0.00 WT0 O +ATOM 8913 H1 TIP3 6253 21.386 3.288 -12.493 0.00 0.00 WT0 H +ATOM 8914 H2 TIP3 6253 20.486 2.538 -13.463 0.00 0.00 WT0 H +ATOM 8915 OH2 TIP3 6254 -23.479 5.439 -8.534 0.00 0.00 WT0 O +ATOM 8916 H1 TIP3 6254 -22.739 4.839 -8.434 0.00 0.00 WT0 H +ATOM 8917 H2 TIP3 6254 -23.879 5.469 -7.664 0.00 0.00 WT0 H +ATOM 8918 OH2 TIP3 6256 14.075 12.430 11.639 0.00 0.00 WT0 O +ATOM 8919 H1 TIP3 6256 14.365 11.690 12.159 0.00 0.00 WT0 H +ATOM 8920 H2 TIP3 6256 14.665 12.440 10.879 0.00 0.00 WT0 H +ATOM 8921 OH2 TIP3 6262 18.736 2.540 -25.054 0.00 0.00 WT0 O +ATOM 8922 H1 TIP3 6262 18.776 2.960 -25.914 0.00 0.00 WT0 H +ATOM 8923 H2 TIP3 6262 18.336 3.190 -24.484 0.00 0.00 WT0 H +ATOM 8924 OH2 TIP3 6263 -25.105 -21.142 9.867 0.00 0.00 WT0 O +ATOM 8925 H1 TIP3 6263 -25.755 -21.582 10.407 0.00 0.00 WT0 H +ATOM 8926 H2 TIP3 6263 -24.645 -21.852 9.417 0.00 0.00 WT0 H +ATOM 8927 OH2 TIP3 6264 1.771 23.494 -12.091 0.00 0.00 WT0 O +ATOM 8928 H1 TIP3 6264 1.831 22.554 -12.251 0.00 0.00 WT0 H +ATOM 8929 H2 TIP3 6264 2.461 23.674 -11.441 0.00 0.00 WT0 H +ATOM 8930 OH2 TIP3 6265 -5.572 -7.645 -11.130 0.00 0.00 WT0 O +ATOM 8931 H1 TIP3 6265 -5.902 -7.705 -10.230 0.00 0.00 WT0 H +ATOM 8932 H2 TIP3 6265 -4.882 -8.305 -11.180 0.00 0.00 WT0 H +ATOM 8933 OH2 TIP3 6266 -3.433 -14.717 22.112 0.00 0.00 WT0 O +ATOM 8934 H1 TIP3 6266 -4.203 -15.267 21.992 0.00 0.00 WT0 H +ATOM 8935 H2 TIP3 6266 -2.693 -15.327 22.132 0.00 0.00 WT0 H +ATOM 8936 OH2 TIP3 6267 -22.600 5.105 4.745 0.00 0.00 WT0 O +ATOM 8937 H1 TIP3 6267 -21.690 5.085 5.045 0.00 0.00 WT0 H +ATOM 8938 H2 TIP3 6267 -22.760 6.025 4.535 0.00 0.00 WT0 H +ATOM 8939 OH2 TIP3 6269 17.804 -10.050 -20.188 0.00 0.00 WT0 O +ATOM 8940 H1 TIP3 6269 17.914 -9.100 -20.278 0.00 0.00 WT0 H +ATOM 8941 H2 TIP3 6269 16.924 -10.230 -20.538 0.00 0.00 WT0 H +ATOM 8942 OH2 TIP3 6270 -3.421 -16.647 -23.291 0.00 0.00 WT0 O +ATOM 8943 H1 TIP3 6270 -4.091 -16.037 -23.591 0.00 0.00 WT0 H +ATOM 8944 H2 TIP3 6270 -3.911 -17.287 -22.761 0.00 0.00 WT0 H +ATOM 8945 OH2 TIP3 6277 -14.223 11.713 18.714 0.00 0.00 WT0 O +ATOM 8946 H1 TIP3 6277 -14.203 12.643 18.494 0.00 0.00 WT0 H +ATOM 8947 H2 TIP3 6277 -13.393 11.373 18.384 0.00 0.00 WT0 H +ATOM 8948 OH2 TIP3 6285 -24.671 -18.724 11.403 0.00 0.00 WT0 O +ATOM 8949 H1 TIP3 6285 -25.071 -17.864 11.483 0.00 0.00 WT0 H +ATOM 8950 H2 TIP3 6285 -25.141 -19.134 10.663 0.00 0.00 WT0 H +ATOM 8951 OH2 TIP3 6286 20.759 22.690 -16.178 0.00 0.00 WT0 O +ATOM 8952 H1 TIP3 6286 20.919 23.550 -16.578 0.00 0.00 WT0 H +ATOM 8953 H2 TIP3 6286 21.449 22.590 -15.528 0.00 0.00 WT0 H +ATOM 8954 OH2 TIP3 6287 -22.866 -3.799 3.339 0.00 0.00 WT0 O +ATOM 8955 H1 TIP3 6287 -22.336 -3.959 4.109 0.00 0.00 WT0 H +ATOM 8956 H2 TIP3 6287 -23.396 -3.029 3.559 0.00 0.00 WT0 H +ATOM 8957 OH2 TIP3 6288 15.581 7.795 -3.939 0.00 0.00 WT0 O +ATOM 8958 H1 TIP3 6288 15.401 7.195 -4.659 0.00 0.00 WT0 H +ATOM 8959 H2 TIP3 6288 15.711 8.645 -4.359 0.00 0.00 WT0 H +ATOM 8960 OH2 TIP3 6289 -11.806 -11.021 -0.311 0.00 0.00 WT0 O +ATOM 8961 H1 TIP3 6289 -11.436 -11.751 -0.831 0.00 0.00 WT0 H +ATOM 8962 H2 TIP3 6289 -11.966 -10.331 -0.951 0.00 0.00 WT0 H +ATOM 8963 OH2 TIP3 6290 11.061 3.466 -5.893 0.00 0.00 WT0 O +ATOM 8964 H1 TIP3 6290 11.991 3.686 -5.923 0.00 0.00 WT0 H +ATOM 8965 H2 TIP3 6290 10.611 4.266 -6.143 0.00 0.00 WT0 H +ATOM 8966 OH2 TIP3 6291 3.597 -8.791 22.236 0.00 0.00 WT0 O +ATOM 8967 H1 TIP3 6291 2.787 -9.281 22.326 0.00 0.00 WT0 H +ATOM 8968 H2 TIP3 6291 3.547 -8.391 21.366 0.00 0.00 WT0 H +ATOM 8969 OH2 TIP3 6292 -12.111 -9.655 24.951 0.00 0.00 WT0 O +ATOM 8970 H1 TIP3 6292 -11.281 -10.075 25.211 0.00 0.00 WT0 H +ATOM 8971 H2 TIP3 6292 -12.541 -10.295 24.381 0.00 0.00 WT0 H +ATOM 8972 OH2 TIP3 6293 18.614 -2.019 -20.847 0.00 0.00 WT0 O +ATOM 8973 H1 TIP3 6293 19.334 -2.579 -20.567 0.00 0.00 WT0 H +ATOM 8974 H2 TIP3 6293 18.364 -1.539 -20.057 0.00 0.00 WT0 H +ATOM 8975 OH2 TIP3 6294 -17.627 -7.105 -24.641 0.00 0.00 WT0 O +ATOM 8976 H1 TIP3 6294 -16.747 -7.365 -24.391 0.00 0.00 WT0 H +ATOM 8977 H2 TIP3 6294 -17.497 -6.465 -25.351 0.00 0.00 WT0 H +ATOM 8978 OH2 TIP3 6296 -22.821 -10.031 -20.627 0.00 0.00 WT0 O +ATOM 8979 H1 TIP3 6296 -22.681 -9.221 -21.117 0.00 0.00 WT0 H +ATOM 8980 H2 TIP3 6296 -21.941 -10.341 -20.407 0.00 0.00 WT0 H +ATOM 8981 OH2 TIP3 6297 -12.753 15.639 -5.935 0.00 0.00 WT0 O +ATOM 8982 H1 TIP3 6297 -13.303 16.289 -5.505 0.00 0.00 WT0 H +ATOM 8983 H2 TIP3 6297 -13.373 14.979 -6.265 0.00 0.00 WT0 H +ATOM 8984 OH2 TIP3 6298 7.058 18.305 23.082 0.00 0.00 WT0 O +ATOM 8985 H1 TIP3 6298 6.598 17.505 23.352 0.00 0.00 WT0 H +ATOM 8986 H2 TIP3 6298 6.458 18.725 22.462 0.00 0.00 WT0 H +ATOM 8987 OH2 TIP3 6300 12.015 -17.112 -0.173 0.00 0.00 WT0 O +ATOM 8988 H1 TIP3 6300 12.925 -17.352 0.007 0.00 0.00 WT0 H +ATOM 8989 H2 TIP3 6300 11.955 -16.182 0.047 0.00 0.00 WT0 H +ATOM 8990 OH2 TIP3 6302 18.403 23.129 -18.950 0.00 0.00 WT0 O +ATOM 8991 H1 TIP3 6302 18.093 22.629 -18.190 0.00 0.00 WT0 H +ATOM 8992 H2 TIP3 6302 18.013 22.679 -19.700 0.00 0.00 WT0 H +ATOM 8993 OH2 TIP3 6303 -13.344 9.632 13.711 0.00 0.00 WT0 O +ATOM 8994 H1 TIP3 6303 -12.494 9.522 13.271 0.00 0.00 WT0 H +ATOM 8995 H2 TIP3 6303 -13.334 10.532 14.021 0.00 0.00 WT0 H +ATOM 8996 OH2 TIP3 6304 21.360 -19.186 20.611 0.00 0.00 WT0 O +ATOM 8997 H1 TIP3 6304 20.770 -18.506 20.281 0.00 0.00 WT0 H +ATOM 8998 H2 TIP3 6304 20.890 -19.576 21.351 0.00 0.00 WT0 H +ATOM 8999 OH2 TIP3 6306 -23.197 -24.623 5.826 0.00 0.00 WT0 O +ATOM 9000 H1 TIP3 6306 -22.387 -24.143 5.706 0.00 0.00 WT0 H +ATOM 9001 H2 TIP3 6306 -23.097 -25.403 5.286 0.00 0.00 WT0 H +ATOM 9002 OH2 TIP3 6308 -14.006 -0.496 -4.144 0.00 0.00 WT0 O +ATOM 9003 H1 TIP3 6308 -14.786 -1.026 -4.324 0.00 0.00 WT0 H +ATOM 9004 H2 TIP3 6308 -14.346 0.254 -3.644 0.00 0.00 WT0 H +ATOM 9005 OH2 TIP3 6309 21.758 13.208 -25.200 0.00 0.00 WT0 O +ATOM 9006 H1 TIP3 6309 22.178 12.408 -25.510 0.00 0.00 WT0 H +ATOM 9007 H2 TIP3 6309 21.818 13.148 -24.240 0.00 0.00 WT0 H +ATOM 9008 OH2 TIP3 6310 -6.806 -13.259 2.917 0.00 0.00 WT0 O +ATOM 9009 H1 TIP3 6310 -6.906 -13.719 3.757 0.00 0.00 WT0 H +ATOM 9010 H2 TIP3 6310 -6.066 -12.669 3.057 0.00 0.00 WT0 H +ATOM 9011 OH2 TIP3 6311 -7.976 10.017 -10.905 0.00 0.00 WT0 O +ATOM 9012 H1 TIP3 6311 -7.606 10.577 -10.225 0.00 0.00 WT0 H +ATOM 9013 H2 TIP3 6311 -8.916 10.177 -10.865 0.00 0.00 WT0 H +ATOM 9014 OH2 TIP3 6312 -7.579 23.690 -6.301 0.00 0.00 WT0 O +ATOM 9015 H1 TIP3 6312 -7.139 24.550 -6.281 0.00 0.00 WT0 H +ATOM 9016 H2 TIP3 6312 -7.279 23.290 -7.121 0.00 0.00 WT0 H +ATOM 9017 OH2 TIP3 6313 -20.397 18.848 3.172 0.00 0.00 WT0 O +ATOM 9018 H1 TIP3 6313 -19.637 19.408 3.072 0.00 0.00 WT0 H +ATOM 9019 H2 TIP3 6313 -20.537 18.448 2.312 0.00 0.00 WT0 H +ATOM 9020 OH2 TIP3 6314 9.715 -4.597 -0.804 0.00 0.00 WT0 O +ATOM 9021 H1 TIP3 6314 8.885 -4.817 -0.384 0.00 0.00 WT0 H +ATOM 9022 H2 TIP3 6314 9.495 -4.407 -1.714 0.00 0.00 WT0 H +ATOM 9023 OH2 TIP3 6315 -19.401 4.035 -1.881 0.00 0.00 WT0 O +ATOM 9024 H1 TIP3 6315 -20.191 3.535 -2.111 0.00 0.00 WT0 H +ATOM 9025 H2 TIP3 6315 -18.981 3.515 -1.201 0.00 0.00 WT0 H +ATOM 9026 OH2 TIP3 6316 14.759 -3.033 17.145 0.00 0.00 WT0 O +ATOM 9027 H1 TIP3 6316 14.739 -2.103 16.905 0.00 0.00 WT0 H +ATOM 9028 H2 TIP3 6316 13.899 -3.363 16.885 0.00 0.00 WT0 H +ATOM 9029 OH2 TIP3 6318 -2.891 -10.267 -5.535 0.00 0.00 WT0 O +ATOM 9030 H1 TIP3 6318 -2.371 -10.977 -5.895 0.00 0.00 WT0 H +ATOM 9031 H2 TIP3 6318 -2.571 -10.167 -4.635 0.00 0.00 WT0 H +ATOM 9032 OH2 TIP3 6319 8.067 18.918 7.969 0.00 0.00 WT0 O +ATOM 9033 H1 TIP3 6319 8.437 18.288 8.589 0.00 0.00 WT0 H +ATOM 9034 H2 TIP3 6319 8.737 19.598 7.889 0.00 0.00 WT0 H +ATOM 9035 OH2 TIP3 6323 -3.440 10.790 19.352 0.00 0.00 WT0 O +ATOM 9036 H1 TIP3 6323 -2.890 10.220 19.892 0.00 0.00 WT0 H +ATOM 9037 H2 TIP3 6323 -3.810 11.420 19.962 0.00 0.00 WT0 H +ATOM 9038 OH2 TIP3 6324 -23.587 -2.385 20.726 0.00 0.00 WT0 O +ATOM 9039 H1 TIP3 6324 -23.427 -2.405 21.666 0.00 0.00 WT0 H +ATOM 9040 H2 TIP3 6324 -22.717 -2.435 20.326 0.00 0.00 WT0 H +ATOM 9041 OH2 TIP3 6326 -8.337 -23.942 -8.528 0.00 0.00 WT0 O +ATOM 9042 H1 TIP3 6326 -7.517 -23.462 -8.628 0.00 0.00 WT0 H +ATOM 9043 H2 TIP3 6326 -8.167 -24.792 -8.938 0.00 0.00 WT0 H +ATOM 9044 OH2 TIP3 6327 -9.952 -4.557 8.912 0.00 0.00 WT0 O +ATOM 9045 H1 TIP3 6327 -9.492 -5.397 8.902 0.00 0.00 WT0 H +ATOM 9046 H2 TIP3 6327 -9.652 -4.107 8.122 0.00 0.00 WT0 H +ATOM 9047 OH2 TIP3 6329 13.525 -12.715 24.361 0.00 0.00 WT0 O +ATOM 9048 H1 TIP3 6329 13.565 -13.445 23.741 0.00 0.00 WT0 H +ATOM 9049 H2 TIP3 6329 12.985 -12.065 23.931 0.00 0.00 WT0 H +ATOM 9050 OH2 TIP3 6330 -13.338 -3.437 -13.751 0.00 0.00 WT0 O +ATOM 9051 H1 TIP3 6330 -13.458 -3.257 -14.691 0.00 0.00 WT0 H +ATOM 9052 H2 TIP3 6330 -12.409 -3.677 -13.681 0.00 0.00 WT0 H +ATOM 9053 OH2 TIP3 6331 -17.689 -17.719 16.936 0.00 0.00 WT0 O +ATOM 9054 H1 TIP3 6331 -18.259 -17.069 16.526 0.00 0.00 WT0 H +ATOM 9055 H2 TIP3 6331 -17.059 -17.199 17.436 0.00 0.00 WT0 H +ATOM 9056 OH2 TIP3 6333 23.533 4.354 23.631 0.00 0.00 WT0 O +ATOM 9057 H1 TIP3 6333 22.803 3.744 23.561 0.00 0.00 WT0 H +ATOM 9058 H2 TIP3 6333 23.333 5.054 23.011 0.00 0.00 WT0 H +ATOM 9059 OH2 TIP3 6334 2.923 -18.947 -8.440 0.00 0.00 WT0 O +ATOM 9060 H1 TIP3 6334 3.373 -18.137 -8.180 0.00 0.00 WT0 H +ATOM 9061 H2 TIP3 6334 2.583 -18.767 -9.310 0.00 0.00 WT0 H +ATOM 9062 OH2 TIP3 6336 4.153 10.884 16.639 0.00 0.00 WT0 O +ATOM 9063 H1 TIP3 6336 4.243 11.594 17.269 0.00 0.00 WT0 H +ATOM 9064 H2 TIP3 6336 4.313 10.094 17.139 0.00 0.00 WT0 H +ATOM 9065 OH2 TIP3 6338 -19.729 14.824 -21.294 0.00 0.00 WT0 O +ATOM 9066 H1 TIP3 6338 -20.159 15.664 -21.424 0.00 0.00 WT0 H +ATOM 9067 H2 TIP3 6338 -20.339 14.314 -20.754 0.00 0.00 WT0 H +ATOM 9068 OH2 TIP3 6339 -21.552 8.597 -15.035 0.00 0.00 WT0 O +ATOM 9069 H1 TIP3 6339 -20.972 8.017 -15.535 0.00 0.00 WT0 H +ATOM 9070 H2 TIP3 6339 -22.402 8.157 -15.045 0.00 0.00 WT0 H +ATOM 9071 OH2 TIP3 6341 -5.483 -18.472 -17.925 0.00 0.00 WT0 O +ATOM 9072 H1 TIP3 6341 -5.233 -19.042 -18.645 0.00 0.00 WT0 H +ATOM 9073 H2 TIP3 6341 -6.423 -18.602 -17.815 0.00 0.00 WT0 H +ATOM 9074 OH2 TIP3 6345 -16.310 -3.108 -1.331 0.00 0.00 WT0 O +ATOM 9075 H1 TIP3 6345 -16.900 -2.358 -1.241 0.00 0.00 WT0 H +ATOM 9076 H2 TIP3 6345 -16.650 -3.758 -0.711 0.00 0.00 WT0 H +ATOM 9077 OH2 TIP3 6347 -2.304 12.721 23.166 0.00 0.00 WT0 O +ATOM 9078 H1 TIP3 6347 -2.214 13.571 22.756 0.00 0.00 WT0 H +ATOM 9079 H2 TIP3 6347 -2.224 12.891 24.106 0.00 0.00 WT0 H +ATOM 9080 OH2 TIP3 6348 10.095 -19.177 12.156 0.00 0.00 WT0 O +ATOM 9081 H1 TIP3 6348 9.465 -18.687 12.686 0.00 0.00 WT0 H +ATOM 9082 H2 TIP3 6348 10.355 -19.917 12.716 0.00 0.00 WT0 H +ATOM 9083 OH2 TIP3 6351 8.086 -9.307 -21.164 0.00 0.00 WT0 O +ATOM 9084 H1 TIP3 6351 8.816 -8.687 -21.104 0.00 0.00 WT0 H +ATOM 9085 H2 TIP3 6351 7.946 -9.417 -22.104 0.00 0.00 WT0 H +ATOM 9086 OH2 TIP3 6355 3.658 -20.378 -6.079 0.00 0.00 WT0 O +ATOM 9087 H1 TIP3 6355 4.448 -19.998 -5.709 0.00 0.00 WT0 H +ATOM 9088 H2 TIP3 6355 3.408 -19.768 -6.779 0.00 0.00 WT0 H +ATOM 9089 OH2 TIP3 6357 -20.424 2.143 7.784 0.00 0.00 WT0 O +ATOM 9090 H1 TIP3 6357 -21.174 2.573 8.204 0.00 0.00 WT0 H +ATOM 9091 H2 TIP3 6357 -19.724 2.783 7.854 0.00 0.00 WT0 H +ATOM 9092 OH2 TIP3 6358 8.420 -2.623 -23.939 0.00 0.00 WT0 O +ATOM 9093 H1 TIP3 6358 9.360 -2.763 -24.049 0.00 0.00 WT0 H +ATOM 9094 H2 TIP3 6358 8.310 -2.463 -22.999 0.00 0.00 WT0 H +ATOM 9095 OH2 TIP3 6361 8.466 -4.496 -4.724 0.00 0.00 WT0 O +ATOM 9096 H1 TIP3 6361 7.666 -4.196 -4.284 0.00 0.00 WT0 H +ATOM 9097 H2 TIP3 6361 8.906 -3.686 -4.974 0.00 0.00 WT0 H +ATOM 9098 OH2 TIP3 6364 -24.923 -0.962 16.836 0.00 0.00 WT0 O +ATOM 9099 H1 TIP3 6364 -25.243 -0.072 16.656 0.00 0.00 WT0 H +ATOM 9100 H2 TIP3 6364 -24.453 -1.212 16.046 0.00 0.00 WT0 H +ATOM 9101 OH2 TIP3 6366 -2.006 13.461 3.473 0.00 0.00 WT0 O +ATOM 9102 H1 TIP3 6366 -1.976 13.421 4.433 0.00 0.00 WT0 H +ATOM 9103 H2 TIP3 6366 -2.176 12.571 3.193 0.00 0.00 WT0 H +ATOM 9104 OH2 TIP3 6367 11.857 -23.569 23.295 0.00 0.00 WT0 O +ATOM 9105 H1 TIP3 6367 10.937 -23.339 23.365 0.00 0.00 WT0 H +ATOM 9106 H2 TIP3 6367 12.227 -23.379 24.155 0.00 0.00 WT0 H +ATOM 9107 OH2 TIP3 6370 -12.638 -23.584 -5.046 0.00 0.00 WT0 O +ATOM 9108 H1 TIP3 6370 -11.689 -23.684 -4.986 0.00 0.00 WT0 H +ATOM 9109 H2 TIP3 6370 -12.909 -23.334 -4.156 0.00 0.00 WT0 H +ATOM 9110 OH2 TIP3 6372 -22.431 22.301 12.355 0.00 0.00 WT0 O +ATOM 9111 H1 TIP3 6372 -23.221 22.721 12.705 0.00 0.00 WT0 H +ATOM 9112 H2 TIP3 6372 -22.741 21.451 12.025 0.00 0.00 WT0 H +ATOM 9113 OH2 TIP3 6375 -22.662 13.051 -6.498 0.00 0.00 WT0 O +ATOM 9114 H1 TIP3 6375 -22.522 12.121 -6.638 0.00 0.00 WT0 H +ATOM 9115 H2 TIP3 6375 -23.592 13.191 -6.678 0.00 0.00 WT0 H +ATOM 9116 OH2 TIP3 6376 -9.479 -23.871 11.722 0.00 0.00 WT0 O +ATOM 9117 H1 TIP3 6376 -8.679 -23.351 11.722 0.00 0.00 WT0 H +ATOM 9118 H2 TIP3 6376 -9.309 -24.571 11.082 0.00 0.00 WT0 H +ATOM 9119 OH2 TIP3 6380 22.846 -3.313 -4.841 0.00 0.00 WT0 O +ATOM 9120 H1 TIP3 6380 23.726 -3.513 -5.171 0.00 0.00 WT0 H +ATOM 9121 H2 TIP3 6380 22.836 -3.633 -3.941 0.00 0.00 WT0 H +ATOM 9122 OH2 TIP3 6381 8.395 16.915 -23.294 0.00 0.00 WT0 O +ATOM 9123 H1 TIP3 6381 9.315 16.945 -23.034 0.00 0.00 WT0 H +ATOM 9124 H2 TIP3 6381 8.205 17.805 -23.594 0.00 0.00 WT0 H +ATOM 9125 OH2 TIP3 6385 -12.114 -19.673 12.812 0.00 0.00 WT0 O +ATOM 9126 H1 TIP3 6385 -11.854 -19.493 11.912 0.00 0.00 WT0 H +ATOM 9127 H2 TIP3 6385 -13.044 -19.873 12.762 0.00 0.00 WT0 H +ATOM 9128 OH2 TIP3 6388 -5.473 7.493 8.631 0.00 0.00 WT0 O +ATOM 9129 H1 TIP3 6388 -5.673 6.563 8.681 0.00 0.00 WT0 H +ATOM 9130 H2 TIP3 6388 -6.293 7.933 8.851 0.00 0.00 WT0 H +ATOM 9131 OH2 TIP3 6390 4.244 -13.850 -2.815 0.00 0.00 WT0 O +ATOM 9132 H1 TIP3 6390 3.294 -13.800 -2.795 0.00 0.00 WT0 H +ATOM 9133 H2 TIP3 6390 4.544 -12.990 -2.515 0.00 0.00 WT0 H +ATOM 9134 OH2 TIP3 6391 -21.627 24.518 14.110 0.00 0.00 WT0 O +ATOM 9135 H1 TIP3 6391 -20.967 25.148 13.840 0.00 0.00 WT0 H +ATOM 9136 H2 TIP3 6391 -22.427 25.038 14.220 0.00 0.00 WT0 H +ATOM 9137 OH2 TIP3 6392 -24.833 8.715 3.567 0.00 0.00 WT0 O +ATOM 9138 H1 TIP3 6392 -25.083 8.165 2.827 0.00 0.00 WT0 H +ATOM 9139 H2 TIP3 6392 -25.073 8.215 4.337 0.00 0.00 WT0 H +ATOM 9140 OH2 TIP3 6393 -3.886 2.106 -18.504 0.00 0.00 WT0 O +ATOM 9141 H1 TIP3 6393 -4.816 2.106 -18.694 0.00 0.00 WT0 H +ATOM 9142 H2 TIP3 6393 -3.496 2.636 -19.204 0.00 0.00 WT0 H +ATOM 9143 OH2 TIP3 6395 6.435 0.184 -15.370 0.00 0.00 WT0 O +ATOM 9144 H1 TIP3 6395 6.795 -0.096 -16.210 0.00 0.00 WT0 H +ATOM 9145 H2 TIP3 6395 7.115 0.734 -14.990 0.00 0.00 WT0 H +ATOM 9146 OH2 TIP3 6396 -22.517 -20.820 -1.472 0.00 0.00 WT0 O +ATOM 9147 H1 TIP3 6396 -22.277 -21.240 -2.292 0.00 0.00 WT0 H +ATOM 9148 H2 TIP3 6396 -21.757 -20.280 -1.252 0.00 0.00 WT0 H +ATOM 9149 OH2 TIP3 6398 -23.000 1.123 -5.682 0.00 0.00 WT0 O +ATOM 9150 H1 TIP3 6398 -22.450 1.273 -4.922 0.00 0.00 WT0 H +ATOM 9151 H2 TIP3 6398 -23.800 0.723 -5.332 0.00 0.00 WT0 H +ATOM 9152 OH2 TIP3 6399 -13.027 6.844 -22.265 0.00 0.00 WT0 O +ATOM 9153 H1 TIP3 6399 -12.607 6.124 -21.795 0.00 0.00 WT0 H +ATOM 9154 H2 TIP3 6399 -13.967 6.694 -22.125 0.00 0.00 WT0 H +ATOM 9155 OH2 TIP3 6403 4.678 11.196 1.912 0.00 0.00 WT0 O +ATOM 9156 H1 TIP3 6403 3.938 10.986 1.342 0.00 0.00 WT0 H +ATOM 9157 H2 TIP3 6403 4.698 12.156 1.922 0.00 0.00 WT0 H +ATOM 9158 OH2 TIP3 6404 -23.722 -13.640 17.329 0.00 0.00 WT0 O +ATOM 9159 H1 TIP3 6404 -24.102 -13.330 16.509 0.00 0.00 WT0 H +ATOM 9160 H2 TIP3 6404 -23.022 -13.020 17.529 0.00 0.00 WT0 H +ATOM 9161 OH2 TIP3 6407 -9.113 -18.844 -3.703 0.00 0.00 WT0 O +ATOM 9162 H1 TIP3 6407 -8.523 -18.184 -4.073 0.00 0.00 WT0 H +ATOM 9163 H2 TIP3 6407 -8.843 -18.914 -2.783 0.00 0.00 WT0 H +ATOM 9164 OH2 TIP3 6408 16.300 -11.548 17.019 0.00 0.00 WT0 O +ATOM 9165 H1 TIP3 6408 17.180 -11.168 16.999 0.00 0.00 WT0 H +ATOM 9166 H2 TIP3 6408 15.800 -11.028 16.389 0.00 0.00 WT0 H +ATOM 9167 OH2 TIP3 6409 5.535 -18.803 -4.948 0.00 0.00 WT0 O +ATOM 9168 H1 TIP3 6409 5.755 -18.293 -4.158 0.00 0.00 WT0 H +ATOM 9169 H2 TIP3 6409 5.525 -18.153 -5.648 0.00 0.00 WT0 H +ATOM 9170 OH2 TIP3 6412 19.941 20.360 14.415 0.00 0.00 WT0 O +ATOM 9171 H1 TIP3 6412 19.951 20.220 15.365 0.00 0.00 WT0 H +ATOM 9172 H2 TIP3 6412 19.941 21.310 14.315 0.00 0.00 WT0 H +ATOM 9173 OH2 TIP3 6413 1.875 2.465 -13.721 0.00 0.00 WT0 O +ATOM 9174 H1 TIP3 6413 1.495 1.645 -13.401 0.00 0.00 WT0 H +ATOM 9175 H2 TIP3 6413 2.695 2.205 -14.131 0.00 0.00 WT0 H +ATOM 9176 OH2 TIP3 6414 -20.561 -7.158 4.842 0.00 0.00 WT0 O +ATOM 9177 H1 TIP3 6414 -21.051 -6.428 5.202 0.00 0.00 WT0 H +ATOM 9178 H2 TIP3 6414 -21.031 -7.398 4.042 0.00 0.00 WT0 H +ATOM 9179 OH2 TIP3 6415 -24.083 12.985 -12.482 0.00 0.00 WT0 O +ATOM 9180 H1 TIP3 6415 -23.143 12.835 -12.512 0.00 0.00 WT0 H +ATOM 9181 H2 TIP3 6415 -24.233 13.415 -11.642 0.00 0.00 WT0 H +ATOM 9182 OH2 TIP3 6416 13.916 -0.396 20.411 0.00 0.00 WT0 O +ATOM 9183 H1 TIP3 6416 13.966 -0.636 19.481 0.00 0.00 WT0 H +ATOM 9184 H2 TIP3 6416 14.586 0.284 20.511 0.00 0.00 WT0 H +ATOM 9185 OH2 TIP3 6417 23.571 1.221 4.480 0.00 0.00 WT0 O +ATOM 9186 H1 TIP3 6417 24.401 1.261 4.950 0.00 0.00 WT0 H +ATOM 9187 H2 TIP3 6417 23.011 0.671 5.030 0.00 0.00 WT0 H +ATOM 9188 OH2 TIP3 6422 4.686 11.733 -6.888 0.00 0.00 WT0 O +ATOM 9189 H1 TIP3 6422 4.596 10.913 -7.368 0.00 0.00 WT0 H +ATOM 9190 H2 TIP3 6422 5.576 11.723 -6.538 0.00 0.00 WT0 H +ATOM 9191 OH2 TIP3 6424 -7.005 11.685 -18.450 0.00 0.00 WT0 O +ATOM 9192 H1 TIP3 6424 -7.785 12.055 -18.030 0.00 0.00 WT0 H +ATOM 9193 H2 TIP3 6424 -6.655 11.065 -17.800 0.00 0.00 WT0 H +ATOM 9194 OH2 TIP3 6425 -17.905 24.706 -2.021 0.00 0.00 WT0 O +ATOM 9195 H1 TIP3 6425 -18.825 24.806 -1.771 0.00 0.00 WT0 H +ATOM 9196 H2 TIP3 6425 -17.415 25.146 -1.331 0.00 0.00 WT0 H +ATOM 9197 OH2 TIP3 6428 22.143 -11.742 25.071 0.00 0.00 WT0 O +ATOM 9198 H1 TIP3 6428 22.313 -10.812 24.951 0.00 0.00 WT0 H +ATOM 9199 H2 TIP3 6428 22.853 -12.182 24.601 0.00 0.00 WT0 H +ATOM 9200 OH2 TIP3 6429 10.435 1.831 -3.974 0.00 0.00 WT0 O +ATOM 9201 H1 TIP3 6429 10.745 2.321 -4.734 0.00 0.00 WT0 H +ATOM 9202 H2 TIP3 6429 11.165 1.861 -3.354 0.00 0.00 WT0 H +ATOM 9203 OH2 TIP3 6430 15.340 5.950 -18.768 0.00 0.00 WT0 O +ATOM 9204 H1 TIP3 6430 15.280 6.870 -18.508 0.00 0.00 WT0 H +ATOM 9205 H2 TIP3 6430 16.220 5.680 -18.488 0.00 0.00 WT0 H +ATOM 9206 OH2 TIP3 6436 -23.882 -7.092 19.815 0.00 0.00 WT0 O +ATOM 9207 H1 TIP3 6436 -24.152 -7.522 19.005 0.00 0.00 WT0 H +ATOM 9208 H2 TIP3 6436 -24.552 -7.342 20.455 0.00 0.00 WT0 H +ATOM 9209 OH2 TIP3 6439 -13.201 -11.819 -16.553 0.00 0.00 WT0 O +ATOM 9210 H1 TIP3 6439 -12.791 -11.089 -16.083 0.00 0.00 WT0 H +ATOM 9211 H2 TIP3 6439 -13.931 -11.409 -17.023 0.00 0.00 WT0 H +ATOM 9212 OH2 TIP3 6440 -24.137 5.223 -15.535 0.00 0.00 WT0 O +ATOM 9213 H1 TIP3 6440 -23.937 6.093 -15.215 0.00 0.00 WT0 H +ATOM 9214 H2 TIP3 6440 -25.077 5.243 -15.725 0.00 0.00 WT0 H +ATOM 9215 OH2 TIP3 6444 -14.904 22.582 19.909 0.00 0.00 WT0 O +ATOM 9216 H1 TIP3 6444 -14.174 21.962 19.929 0.00 0.00 WT0 H +ATOM 9217 H2 TIP3 6444 -15.264 22.552 20.789 0.00 0.00 WT0 H +ATOM 9218 OH2 TIP3 6445 -4.314 -22.490 10.847 0.00 0.00 WT0 O +ATOM 9219 H1 TIP3 6445 -4.164 -22.390 9.907 0.00 0.00 WT0 H +ATOM 9220 H2 TIP3 6445 -3.884 -21.720 11.237 0.00 0.00 WT0 H +ATOM 9221 OH2 TIP3 6448 -16.579 -17.035 -13.480 0.00 0.00 WT0 O +ATOM 9222 H1 TIP3 6448 -17.169 -16.745 -12.780 0.00 0.00 WT0 H +ATOM 9223 H2 TIP3 6448 -16.119 -17.785 -13.110 0.00 0.00 WT0 H +ATOM 9224 OH2 TIP3 6449 22.014 -21.309 -8.991 0.00 0.00 WT0 O +ATOM 9225 H1 TIP3 6449 22.724 -20.829 -9.421 0.00 0.00 WT0 H +ATOM 9226 H2 TIP3 6449 22.204 -21.239 -8.061 0.00 0.00 WT0 H +ATOM 9227 OH2 TIP3 6452 -6.907 7.553 -14.778 0.00 0.00 WT0 O +ATOM 9228 H1 TIP3 6452 -6.407 7.163 -14.058 0.00 0.00 WT0 H +ATOM 9229 H2 TIP3 6452 -7.497 8.163 -14.338 0.00 0.00 WT0 H +ATOM 9230 OH2 TIP3 6457 -1.472 -19.632 -2.409 0.00 0.00 WT0 O +ATOM 9231 H1 TIP3 6457 -0.722 -19.222 -2.819 0.00 0.00 WT0 H +ATOM 9232 H2 TIP3 6457 -1.602 -20.442 -2.899 0.00 0.00 WT0 H +ATOM 9233 OH2 TIP3 6458 -15.322 -4.306 7.074 0.00 0.00 WT0 O +ATOM 9234 H1 TIP3 6458 -14.432 -4.326 7.434 0.00 0.00 WT0 H +ATOM 9235 H2 TIP3 6458 -15.272 -3.646 6.374 0.00 0.00 WT0 H +ATOM 9236 OH2 TIP3 6459 -24.281 -5.306 15.656 0.00 0.00 WT0 O +ATOM 9237 H1 TIP3 6459 -24.621 -4.746 16.366 0.00 0.00 WT0 H +ATOM 9238 H2 TIP3 6459 -24.711 -6.156 15.806 0.00 0.00 WT0 H +ATOM 9239 OH2 TIP3 6460 18.959 6.475 8.562 0.00 0.00 WT0 O +ATOM 9240 H1 TIP3 6460 18.309 5.945 8.092 0.00 0.00 WT0 H +ATOM 9241 H2 TIP3 6460 19.649 6.645 7.912 0.00 0.00 WT0 H +ATOM 9242 OH2 TIP3 6463 -17.499 1.188 5.539 0.00 0.00 WT0 O +ATOM 9243 H1 TIP3 6463 -17.129 0.308 5.499 0.00 0.00 WT0 H +ATOM 9244 H2 TIP3 6463 -18.099 1.158 6.289 0.00 0.00 WT0 H +ATOM 9245 OH2 TIP3 6464 -18.185 -6.307 1.901 0.00 0.00 WT0 O +ATOM 9246 H1 TIP3 6464 -18.015 -6.587 2.801 0.00 0.00 WT0 H +ATOM 9247 H2 TIP3 6464 -18.195 -5.347 1.951 0.00 0.00 WT0 H +ATOM 9248 OH2 TIP3 6469 -15.574 23.622 6.991 0.00 0.00 WT0 O +ATOM 9249 H1 TIP3 6469 -15.844 23.002 6.321 0.00 0.00 WT0 H +ATOM 9250 H2 TIP3 6469 -16.234 24.322 6.971 0.00 0.00 WT0 H +ATOM 9251 OH2 TIP3 6477 -14.815 -19.088 -0.019 0.00 0.00 WT0 O +ATOM 9252 H1 TIP3 6477 -15.325 -19.278 -0.809 0.00 0.00 WT0 H +ATOM 9253 H2 TIP3 6477 -15.475 -19.038 0.681 0.00 0.00 WT0 H +ATOM 9254 OH2 TIP3 6480 7.898 -6.661 0.309 0.00 0.00 WT0 O +ATOM 9255 H1 TIP3 6480 7.868 -6.981 1.209 0.00 0.00 WT0 H +ATOM 9256 H2 TIP3 6480 8.548 -7.221 -0.131 0.00 0.00 WT0 H +ATOM 9257 OH2 TIP3 6483 -0.973 23.394 3.663 0.00 0.00 WT0 O +ATOM 9258 H1 TIP3 6483 -1.173 22.604 4.163 0.00 0.00 WT0 H +ATOM 9259 H2 TIP3 6483 -1.083 23.124 2.743 0.00 0.00 WT0 H +ATOM 9260 OH2 TIP3 6491 0.474 12.965 -18.473 0.00 0.00 WT0 O +ATOM 9261 H1 TIP3 6491 0.294 12.025 -18.473 0.00 0.00 WT0 H +ATOM 9262 H2 TIP3 6491 -0.186 13.335 -17.883 0.00 0.00 WT0 H +ATOM 9263 OH2 TIP3 6492 11.625 11.731 -20.420 0.00 0.00 WT0 O +ATOM 9264 H1 TIP3 6492 12.355 11.261 -20.010 0.00 0.00 WT0 H +ATOM 9265 H2 TIP3 6492 11.875 12.651 -20.380 0.00 0.00 WT0 H +ATOM 9266 OH2 TIP3 6498 9.967 8.970 20.885 0.00 0.00 WT0 O +ATOM 9267 H1 TIP3 6498 10.337 9.550 20.215 0.00 0.00 WT0 H +ATOM 9268 H2 TIP3 6498 9.547 9.570 21.505 0.00 0.00 WT0 H +ATOM 9269 OH2 TIP3 6499 -18.399 -11.267 -6.925 0.00 0.00 WT0 O +ATOM 9270 H1 TIP3 6499 -18.819 -10.547 -7.395 0.00 0.00 WT0 H +ATOM 9271 H2 TIP3 6499 -18.949 -12.027 -7.125 0.00 0.00 WT0 H +ATOM 9272 OH2 TIP3 6502 10.521 20.330 16.849 0.00 0.00 WT0 O +ATOM 9273 H1 TIP3 6502 10.251 21.230 17.059 0.00 0.00 WT0 H +ATOM 9274 H2 TIP3 6502 11.141 20.100 17.539 0.00 0.00 WT0 H +ATOM 9275 OH2 TIP3 6505 13.547 24.370 -25.148 0.00 0.00 WT0 O +ATOM 9276 H1 TIP3 6505 14.287 24.530 -24.578 0.00 0.00 WT0 H +ATOM 9277 H2 TIP3 6505 13.697 24.930 -25.908 0.00 0.00 WT0 H +ATOM 9278 OH2 TIP3 6517 -15.335 -22.723 4.901 0.00 0.00 WT0 O +ATOM 9279 H1 TIP3 6517 -15.335 -22.373 4.011 0.00 0.00 WT0 H +ATOM 9280 H2 TIP3 6517 -14.845 -22.093 5.421 0.00 0.00 WT0 H +ATOM 9281 OH2 TIP3 6518 -19.036 -14.393 9.607 0.00 0.00 WT0 O +ATOM 9282 H1 TIP3 6518 -19.166 -13.933 10.427 0.00 0.00 WT0 H +ATOM 9283 H2 TIP3 6518 -18.586 -13.763 9.037 0.00 0.00 WT0 H +ATOM 9284 OH2 TIP3 6519 -6.657 8.365 19.300 0.00 0.00 WT0 O +ATOM 9285 H1 TIP3 6519 -6.637 9.045 18.630 0.00 0.00 WT0 H +ATOM 9286 H2 TIP3 6519 -7.137 7.645 18.900 0.00 0.00 WT0 H +ATOM 9287 OH2 TIP3 6523 23.145 -11.718 6.941 0.00 0.00 WT0 O +ATOM 9288 H1 TIP3 6523 23.315 -11.308 7.791 0.00 0.00 WT0 H +ATOM 9289 H2 TIP3 6523 23.795 -11.318 6.361 0.00 0.00 WT0 H +ATOM 9290 OH2 TIP3 6529 20.994 -23.299 -17.055 0.00 0.00 WT0 O +ATOM 9291 H1 TIP3 6529 20.174 -23.139 -16.585 0.00 0.00 WT0 H +ATOM 9292 H2 TIP3 6529 21.674 -22.959 -16.475 0.00 0.00 WT0 H +ATOM 9293 OH2 TIP3 6536 23.675 24.440 -16.033 0.00 0.00 WT0 O +ATOM 9294 H1 TIP3 6536 24.195 25.220 -15.803 0.00 0.00 WT0 H +ATOM 9295 H2 TIP3 6536 23.485 24.550 -16.963 0.00 0.00 WT0 H +ATOM 9296 OH2 TIP3 6542 -23.296 10.759 5.312 0.00 0.00 WT0 O +ATOM 9297 H1 TIP3 6542 -24.216 10.559 5.432 0.00 0.00 WT0 H +ATOM 9298 H2 TIP3 6542 -23.286 11.669 5.022 0.00 0.00 WT0 H +ATOM 9299 OH2 TIP3 6545 10.804 -19.900 -5.134 0.00 0.00 WT0 O +ATOM 9300 H1 TIP3 6545 11.514 -19.960 -5.774 0.00 0.00 WT0 H +ATOM 9301 H2 TIP3 6545 11.244 -19.890 -4.284 0.00 0.00 WT0 H +ATOM 9302 OH2 TIP3 6547 -4.455 -21.428 8.163 0.00 0.00 WT0 O +ATOM 9303 H1 TIP3 6547 -3.555 -21.148 8.353 0.00 0.00 WT0 H +ATOM 9304 H2 TIP3 6547 -4.505 -21.448 7.213 0.00 0.00 WT0 H +ATOM 9305 OH2 TIP3 6551 -14.895 18.650 -22.780 0.00 0.00 WT0 O +ATOM 9306 H1 TIP3 6551 -14.865 17.700 -22.880 0.00 0.00 WT0 H +ATOM 9307 H2 TIP3 6551 -14.005 18.940 -22.960 0.00 0.00 WT0 H +ATOM 9308 OH2 TIP3 6554 6.851 -7.147 18.945 0.00 0.00 WT0 O +ATOM 9309 H1 TIP3 6554 6.671 -6.687 19.765 0.00 0.00 WT0 H +ATOM 9310 H2 TIP3 6554 6.881 -8.077 19.205 0.00 0.00 WT0 H +ATOM 9311 OH2 TIP3 6555 22.027 19.563 6.212 0.00 0.00 WT0 O +ATOM 9312 H1 TIP3 6555 21.737 19.873 5.352 0.00 0.00 WT0 H +ATOM 9313 H2 TIP3 6555 22.687 18.893 6.022 0.00 0.00 WT0 H +ATOM 9314 OH2 TIP3 6560 7.657 -16.679 -17.235 0.00 0.00 WT0 O +ATOM 9315 H1 TIP3 6560 6.997 -17.349 -17.035 0.00 0.00 WT0 H +ATOM 9316 H2 TIP3 6560 7.157 -15.939 -17.575 0.00 0.00 WT0 H +ATOM 9317 OH2 TIP3 6561 9.464 -1.991 -14.811 0.00 0.00 WT0 O +ATOM 9318 H1 TIP3 6561 8.734 -1.661 -14.281 0.00 0.00 WT0 H +ATOM 9319 H2 TIP3 6561 10.244 -1.741 -14.311 0.00 0.00 WT0 H +ATOM 9320 OH2 TIP3 6564 -13.853 -24.055 15.679 0.00 0.00 WT0 O +ATOM 9321 H1 TIP3 6564 -13.923 -23.105 15.679 0.00 0.00 WT0 H +ATOM 9322 H2 TIP3 6564 -14.683 -24.355 16.059 0.00 0.00 WT0 H +ATOM 9323 OH2 TIP3 6575 12.977 8.025 -19.911 0.00 0.00 WT0 O +ATOM 9324 H1 TIP3 6575 13.587 8.725 -19.711 0.00 0.00 WT0 H +ATOM 9325 H2 TIP3 6575 12.387 8.405 -20.561 0.00 0.00 WT0 H +ATOM 9326 OH2 TIP3 6577 20.329 2.741 18.265 0.00 0.00 WT0 O +ATOM 9327 H1 TIP3 6577 20.239 2.501 17.345 0.00 0.00 WT0 H +ATOM 9328 H2 TIP3 6577 21.229 3.061 18.345 0.00 0.00 WT0 H +ATOM 9329 OH2 TIP3 6578 21.887 -15.024 -12.488 0.00 0.00 WT0 O +ATOM 9330 H1 TIP3 6578 21.817 -15.974 -12.648 0.00 0.00 WT0 H +ATOM 9331 H2 TIP3 6578 22.487 -14.954 -11.748 0.00 0.00 WT0 H +ATOM 9332 OH2 TIP3 6583 10.271 0.183 -17.001 0.00 0.00 WT0 O +ATOM 9333 H1 TIP3 6583 10.341 -0.287 -16.171 0.00 0.00 WT0 H +ATOM 9334 H2 TIP3 6583 11.121 0.063 -17.421 0.00 0.00 WT0 H +ATOM 9335 OH2 TIP3 6592 0.763 -3.259 -21.795 0.00 0.00 WT0 O +ATOM 9336 H1 TIP3 6592 0.773 -3.099 -22.735 0.00 0.00 WT0 H +ATOM 9337 H2 TIP3 6592 -0.167 -3.229 -21.555 0.00 0.00 WT0 H +ATOM 9338 OH2 TIP3 6597 16.346 20.593 19.632 0.00 0.00 WT0 O +ATOM 9339 H1 TIP3 6597 16.046 20.513 18.722 0.00 0.00 WT0 H +ATOM 9340 H2 TIP3 6597 16.666 21.493 19.712 0.00 0.00 WT0 H +ATOM 9341 OH2 TIP3 6602 5.949 7.772 22.740 0.00 0.00 WT0 O +ATOM 9342 H1 TIP3 6602 5.269 7.802 22.060 0.00 0.00 WT0 H +ATOM 9343 H2 TIP3 6602 6.019 6.852 22.970 0.00 0.00 WT0 H +ATOM 9344 OH2 TIP3 6604 12.105 -19.222 9.692 0.00 0.00 WT0 O +ATOM 9345 H1 TIP3 6604 12.685 -19.842 9.252 0.00 0.00 WT0 H +ATOM 9346 H2 TIP3 6604 12.025 -19.572 10.582 0.00 0.00 WT0 H +ATOM 9347 OH2 TIP3 6614 -22.042 -23.324 3.611 0.00 0.00 WT0 O +ATOM 9348 H1 TIP3 6614 -22.712 -23.274 2.931 0.00 0.00 WT0 H +ATOM 9349 H2 TIP3 6614 -21.762 -22.424 3.741 0.00 0.00 WT0 H +ATOM 9350 OH2 TIP3 6615 7.778 -11.904 -11.650 0.00 0.00 WT0 O +ATOM 9351 H1 TIP3 6615 8.668 -11.994 -11.980 0.00 0.00 WT0 H +ATOM 9352 H2 TIP3 6615 7.308 -11.444 -12.340 0.00 0.00 WT0 H +ATOM 9353 OH2 TIP3 6616 3.900 18.114 8.679 0.00 0.00 WT0 O +ATOM 9354 H1 TIP3 6616 3.730 17.384 9.289 0.00 0.00 WT0 H +ATOM 9355 H2 TIP3 6616 3.490 18.874 9.099 0.00 0.00 WT0 H +ATOM 9356 OH2 TIP3 6618 24.066 3.139 0.182 0.00 0.00 WT0 O +ATOM 9357 H1 TIP3 6618 23.486 3.899 0.202 0.00 0.00 WT0 H +ATOM 9358 H2 TIP3 6618 23.496 2.389 0.352 0.00 0.00 WT0 H +ATOM 9359 OH2 TIP3 6623 7.368 9.935 10.671 0.00 0.00 WT0 O +ATOM 9360 H1 TIP3 6623 7.748 9.795 9.811 0.00 0.00 WT0 H +ATOM 9361 H2 TIP3 6623 7.908 9.385 11.261 0.00 0.00 WT0 H +ATOM 9362 OH2 TIP3 6628 2.215 -14.378 22.142 0.00 0.00 WT0 O +ATOM 9363 H1 TIP3 6628 2.855 -14.958 21.732 0.00 0.00 WT0 H +ATOM 9364 H2 TIP3 6628 2.035 -13.708 21.472 0.00 0.00 WT0 H +ATOM 9365 OH2 TIP3 6639 3.918 23.726 -20.148 0.00 0.00 WT0 O +ATOM 9366 H1 TIP3 6639 3.758 24.376 -20.828 0.00 0.00 WT0 H +ATOM 9367 H2 TIP3 6639 3.978 22.896 -20.618 0.00 0.00 WT0 H +ATOM 9368 OH2 TIP3 6644 20.610 16.109 16.142 0.00 0.00 WT0 O +ATOM 9369 H1 TIP3 6644 20.810 16.869 16.682 0.00 0.00 WT0 H +ATOM 9370 H2 TIP3 6644 20.100 15.539 16.712 0.00 0.00 WT0 H +ATOM 9371 OH2 TIP3 6645 -2.465 10.490 1.939 0.00 0.00 WT0 O +ATOM 9372 H1 TIP3 6645 -2.755 10.350 1.039 0.00 0.00 WT0 H +ATOM 9373 H2 TIP3 6645 -1.515 10.570 1.869 0.00 0.00 WT0 H +ATOM 9374 OH2 TIP3 6647 4.159 -1.656 16.697 0.00 0.00 WT0 O +ATOM 9375 H1 TIP3 6647 5.039 -1.406 16.417 0.00 0.00 WT0 H +ATOM 9376 H2 TIP3 6647 3.569 -1.046 16.247 0.00 0.00 WT0 H +ATOM 9377 OH2 TIP3 6650 -18.512 -15.139 4.027 0.00 0.00 WT0 O +ATOM 9378 H1 TIP3 6650 -18.902 -14.489 4.597 0.00 0.00 WT0 H +ATOM 9379 H2 TIP3 6650 -17.682 -14.739 3.737 0.00 0.00 WT0 H +ATOM 9380 OH2 TIP3 6652 18.089 6.663 -11.284 0.00 0.00 WT0 O +ATOM 9381 H1 TIP3 6652 17.169 6.393 -11.374 0.00 0.00 WT0 H +ATOM 9382 H2 TIP3 6652 18.479 5.983 -10.724 0.00 0.00 WT0 H +ATOM 9383 OH2 TIP3 6657 0.165 24.422 -8.661 0.00 0.00 WT0 O +ATOM 9384 H1 TIP3 6657 -0.235 23.672 -9.091 0.00 0.00 WT0 H +ATOM 9385 H2 TIP3 6657 0.725 24.822 -9.321 0.00 0.00 WT0 H +ATOM 9386 OH2 TIP3 6660 10.825 -11.836 -12.494 0.00 0.00 WT0 O +ATOM 9387 H1 TIP3 6660 11.295 -12.626 -12.234 0.00 0.00 WT0 H +ATOM 9388 H2 TIP3 6660 11.045 -11.716 -13.424 0.00 0.00 WT0 H +ATOM 9389 OH2 TIP3 6661 -0.281 1.647 10.459 0.00 0.00 WT0 O +ATOM 9390 H1 TIP3 6661 -0.891 2.057 11.079 0.00 0.00 WT0 H +ATOM 9391 H2 TIP3 6661 -0.831 1.367 9.729 0.00 0.00 WT0 H +ATOM 9392 OH2 TIP3 6663 20.226 -18.761 16.575 0.00 0.00 WT0 O +ATOM 9393 H1 TIP3 6663 19.746 -19.331 15.985 0.00 0.00 WT0 H +ATOM 9394 H2 TIP3 6663 21.146 -19.021 16.465 0.00 0.00 WT0 H +ATOM 9395 OH2 TIP3 6665 24.706 10.260 0.781 0.00 0.00 WT0 O +ATOM 9396 H1 TIP3 6665 24.836 9.990 -0.129 0.00 0.00 WT0 H +ATOM 9397 H2 TIP3 6665 25.136 9.580 1.301 0.00 0.00 WT0 H +ATOM 9398 OH2 TIP3 6666 -22.731 19.260 9.634 0.00 0.00 WT0 O +ATOM 9399 H1 TIP3 6666 -22.681 20.160 9.314 0.00 0.00 WT0 H +ATOM 9400 H2 TIP3 6666 -22.191 18.760 9.014 0.00 0.00 WT0 H +ATOM 9401 OH2 TIP3 6667 -6.849 23.222 20.469 0.00 0.00 WT0 O +ATOM 9402 H1 TIP3 6667 -7.109 22.432 20.949 0.00 0.00 WT0 H +ATOM 9403 H2 TIP3 6667 -6.589 23.832 21.159 0.00 0.00 WT0 H +ATOM 9404 OH2 TIP3 6669 -17.103 6.711 -0.979 0.00 0.00 WT0 O +ATOM 9405 H1 TIP3 6669 -18.033 6.501 -0.959 0.00 0.00 WT0 H +ATOM 9406 H2 TIP3 6669 -16.703 6.011 -1.499 0.00 0.00 WT0 H +ATOM 9407 OH2 TIP3 6671 -6.411 -3.409 -11.134 0.00 0.00 WT0 O +ATOM 9408 H1 TIP3 6671 -6.021 -4.249 -11.374 0.00 0.00 WT0 H +ATOM 9409 H2 TIP3 6671 -6.331 -3.369 -10.184 0.00 0.00 WT0 H +ATOM 9410 OH2 TIP3 6672 -14.846 -4.701 11.861 0.00 0.00 WT0 O +ATOM 9411 H1 TIP3 6672 -15.646 -4.521 11.381 0.00 0.00 WT0 H +ATOM 9412 H2 TIP3 6672 -14.246 -5.051 11.211 0.00 0.00 WT0 H +ATOM 9413 OH2 TIP3 6673 20.934 18.609 10.109 0.00 0.00 WT0 O +ATOM 9414 H1 TIP3 6673 21.294 17.899 9.579 0.00 0.00 WT0 H +ATOM 9415 H2 TIP3 6673 21.564 18.719 10.829 0.00 0.00 WT0 H +ATOM 9416 OH2 TIP3 6679 23.020 13.850 15.948 0.00 0.00 WT0 O +ATOM 9417 H1 TIP3 6679 23.960 13.970 16.078 0.00 0.00 WT0 H +ATOM 9418 H2 TIP3 6679 22.720 14.710 15.658 0.00 0.00 WT0 H +ATOM 9419 OH2 TIP3 6681 -6.555 -3.696 1.900 0.00 0.00 WT0 O +ATOM 9420 H1 TIP3 6681 -7.375 -3.426 2.330 0.00 0.00 WT0 H +ATOM 9421 H2 TIP3 6681 -6.045 -4.106 2.600 0.00 0.00 WT0 H +ATOM 9422 OH2 TIP3 6683 -0.862 -13.088 -19.691 0.00 0.00 WT0 O +ATOM 9423 H1 TIP3 6683 -1.192 -12.848 -20.551 0.00 0.00 WT0 H +ATOM 9424 H2 TIP3 6683 -1.612 -12.948 -19.111 0.00 0.00 WT0 H +ATOM 9425 OH2 TIP3 6684 19.919 6.336 11.272 0.00 0.00 WT0 O +ATOM 9426 H1 TIP3 6684 20.859 6.226 11.112 0.00 0.00 WT0 H +ATOM 9427 H2 TIP3 6684 19.529 6.286 10.402 0.00 0.00 WT0 H +ATOM 9428 OH2 TIP3 6693 25.159 21.511 17.813 0.00 0.00 WT0 O +ATOM 9429 H1 TIP3 6693 24.539 22.091 17.373 0.00 0.00 WT0 H +ATOM 9430 H2 TIP3 6693 25.509 20.961 17.113 0.00 0.00 WT0 H +ATOM 9431 OH2 TIP3 6698 13.418 19.906 0.821 0.00 0.00 WT0 O +ATOM 9432 H1 TIP3 6698 13.268 19.606 -0.079 0.00 0.00 WT0 H +ATOM 9433 H2 TIP3 6698 13.038 19.216 1.361 0.00 0.00 WT0 H +ATOM 9434 OH2 TIP3 6700 -24.161 1.385 14.743 0.00 0.00 WT0 O +ATOM 9435 H1 TIP3 6700 -24.471 0.655 14.193 0.00 0.00 WT0 H +ATOM 9436 H2 TIP3 6700 -23.211 1.405 14.593 0.00 0.00 WT0 H +ATOM 9437 OH2 TIP3 6707 -16.825 8.793 23.056 0.00 0.00 WT0 O +ATOM 9438 H1 TIP3 6707 -15.885 8.623 23.086 0.00 0.00 WT0 H +ATOM 9439 H2 TIP3 6707 -16.945 9.383 22.316 0.00 0.00 WT0 H +ATOM 9440 OH2 TIP3 6708 6.307 -5.952 21.481 0.00 0.00 WT0 O +ATOM 9441 H1 TIP3 6708 5.707 -6.552 21.931 0.00 0.00 WT0 H +ATOM 9442 H2 TIP3 6708 6.957 -5.722 22.141 0.00 0.00 WT0 H +ATOM 9443 OH2 TIP3 6714 12.416 15.489 7.914 0.00 0.00 WT0 O +ATOM 9444 H1 TIP3 6714 13.316 15.799 7.894 0.00 0.00 WT0 H +ATOM 9445 H2 TIP3 6714 12.456 14.609 7.534 0.00 0.00 WT0 H +ATOM 9446 OH2 TIP3 6717 -12.535 9.431 -9.157 0.00 0.00 WT0 O +ATOM 9447 H1 TIP3 6717 -11.745 9.471 -9.677 0.00 0.00 WT0 H +ATOM 9448 H2 TIP3 6717 -12.235 9.211 -8.277 0.00 0.00 WT0 H +ATOM 9449 OH2 TIP3 6721 13.689 -1.584 14.921 0.00 0.00 WT0 O +ATOM 9450 H1 TIP3 6721 14.089 -2.354 14.501 0.00 0.00 WT0 H +ATOM 9451 H2 TIP3 6721 12.969 -1.954 15.431 0.00 0.00 WT0 H +ATOM 9452 OH2 TIP3 6722 -22.812 19.671 13.001 0.00 0.00 WT0 O +ATOM 9453 H1 TIP3 6722 -23.662 19.331 12.741 0.00 0.00 WT0 H +ATOM 9454 H2 TIP3 6722 -22.342 18.911 13.361 0.00 0.00 WT0 H +ATOM 9455 OH2 TIP3 6725 14.798 14.939 -23.208 0.00 0.00 WT0 O +ATOM 9456 H1 TIP3 6725 15.148 14.469 -23.958 0.00 0.00 WT0 H +ATOM 9457 H2 TIP3 6725 15.568 15.229 -22.718 0.00 0.00 WT0 H +ATOM 9458 OH2 TIP3 6727 -18.506 17.733 10.654 0.00 0.00 WT0 O +ATOM 9459 H1 TIP3 6727 -18.406 16.863 11.054 0.00 0.00 WT0 H +ATOM 9460 H2 TIP3 6727 -18.316 18.343 11.374 0.00 0.00 WT0 H +ATOM 9461 OH2 TIP3 6728 -13.324 -1.979 -22.138 0.00 0.00 WT0 O +ATOM 9462 H1 TIP3 6728 -13.694 -1.239 -21.658 0.00 0.00 WT0 H +ATOM 9463 H2 TIP3 6728 -13.784 -1.989 -22.968 0.00 0.00 WT0 H +ATOM 9464 OH2 TIP3 6729 10.241 10.022 11.468 0.00 0.00 WT0 O +ATOM 9465 H1 TIP3 6729 10.641 9.152 11.418 0.00 0.00 WT0 H +ATOM 9466 H2 TIP3 6729 10.521 10.362 12.318 0.00 0.00 WT0 H +ATOM 9467 OH2 TIP3 6730 4.464 18.405 -22.265 0.00 0.00 WT0 O +ATOM 9468 H1 TIP3 6730 3.684 18.935 -22.065 0.00 0.00 WT0 H +ATOM 9469 H2 TIP3 6730 4.554 18.475 -23.215 0.00 0.00 WT0 H +ATOM 9470 OH2 TIP3 6735 -17.380 3.529 14.999 0.00 0.00 WT0 O +ATOM 9471 H1 TIP3 6735 -18.070 3.059 14.529 0.00 0.00 WT0 H +ATOM 9472 H2 TIP3 6735 -17.830 3.889 15.759 0.00 0.00 WT0 H +ATOM 9473 OH2 TIP3 6736 -2.161 -5.701 -10.403 0.00 0.00 WT0 O +ATOM 9474 H1 TIP3 6736 -3.081 -5.921 -10.543 0.00 0.00 WT0 H +ATOM 9475 H2 TIP3 6736 -1.771 -5.761 -11.273 0.00 0.00 WT0 H +ATOM 9476 OH2 TIP3 6740 -24.267 24.611 8.702 0.00 0.00 WT0 O +ATOM 9477 H1 TIP3 6740 -24.387 23.721 8.372 0.00 0.00 WT0 H +ATOM 9478 H2 TIP3 6740 -23.677 24.511 9.452 0.00 0.00 WT0 H +ATOM 9479 OH2 TIP3 6742 -20.806 8.288 -0.798 0.00 0.00 WT0 O +ATOM 9480 H1 TIP3 6742 -20.446 7.578 -1.328 0.00 0.00 WT0 H +ATOM 9481 H2 TIP3 6742 -20.066 8.578 -0.258 0.00 0.00 WT0 H +ATOM 9482 OH2 TIP3 6743 9.886 -18.670 1.065 0.00 0.00 WT0 O +ATOM 9483 H1 TIP3 6743 9.806 -17.720 1.115 0.00 0.00 WT0 H +ATOM 9484 H2 TIP3 6743 9.956 -18.860 0.125 0.00 0.00 WT0 H +ATOM 9485 OH2 TIP3 6748 -12.333 2.226 22.586 0.00 0.00 WT0 O +ATOM 9486 H1 TIP3 6748 -13.083 1.656 22.416 0.00 0.00 WT0 H +ATOM 9487 H2 TIP3 6748 -12.713 3.106 22.686 0.00 0.00 WT0 H +ATOM 9488 OH2 TIP3 6750 -13.311 -12.007 2.616 0.00 0.00 WT0 O +ATOM 9489 H1 TIP3 6750 -12.941 -12.717 3.146 0.00 0.00 WT0 H +ATOM 9490 H2 TIP3 6750 -13.641 -12.437 1.826 0.00 0.00 WT0 H +ATOM 9491 OH2 TIP3 6751 17.030 11.135 -18.631 0.00 0.00 WT0 O +ATOM 9492 H1 TIP3 6751 16.770 11.225 -17.711 0.00 0.00 WT0 H +ATOM 9493 H2 TIP3 6751 16.770 11.965 -19.031 0.00 0.00 WT0 H +ATOM 9494 OH2 TIP3 6752 2.799 -10.798 16.184 0.00 0.00 WT0 O +ATOM 9495 H1 TIP3 6752 2.629 -10.658 15.244 0.00 0.00 WT0 H +ATOM 9496 H2 TIP3 6752 3.059 -11.718 16.234 0.00 0.00 WT0 H +ATOM 9497 OH2 TIP3 6754 -1.955 2.076 18.689 0.00 0.00 WT0 O +ATOM 9498 H1 TIP3 6754 -1.925 1.196 18.299 0.00 0.00 WT0 H +ATOM 9499 H2 TIP3 6754 -1.865 1.926 19.629 0.00 0.00 WT0 H +ATOM 9500 OH2 TIP3 6755 11.556 23.659 -13.162 0.00 0.00 WT0 O +ATOM 9501 H1 TIP3 6755 11.556 23.239 -12.302 0.00 0.00 WT0 H +ATOM 9502 H2 TIP3 6755 12.406 24.099 -13.202 0.00 0.00 WT0 H +ATOM 9503 OH2 TIP3 6758 -9.896 24.105 -10.689 0.00 0.00 WT0 O +ATOM 9504 H1 TIP3 6758 -10.186 23.465 -11.339 0.00 0.00 WT0 H +ATOM 9505 H2 TIP3 6758 -9.836 24.935 -11.169 0.00 0.00 WT0 H +ATOM 9506 OH2 TIP3 6762 6.395 -0.231 -7.419 0.00 0.00 WT0 O +ATOM 9507 H1 TIP3 6762 5.685 -0.771 -7.769 0.00 0.00 WT0 H +ATOM 9508 H2 TIP3 6762 7.165 -0.781 -7.469 0.00 0.00 WT0 H +ATOM 9509 OH2 TIP3 6763 2.414 0.594 -3.965 0.00 0.00 WT0 O +ATOM 9510 H1 TIP3 6763 3.364 0.474 -3.925 0.00 0.00 WT0 H +ATOM 9511 H2 TIP3 6763 2.114 -0.066 -4.585 0.00 0.00 WT0 H +ATOM 9512 OH2 TIP3 6768 -3.224 11.332 -16.173 0.00 0.00 WT0 O +ATOM 9513 H1 TIP3 6768 -3.684 11.972 -15.633 0.00 0.00 WT0 H +ATOM 9514 H2 TIP3 6768 -3.634 10.492 -15.963 0.00 0.00 WT0 H +ATOM 9515 OH2 TIP3 6769 -25.265 22.219 -17.102 0.00 0.00 WT0 O +ATOM 9516 H1 TIP3 6769 -25.005 23.099 -17.352 0.00 0.00 WT0 H +ATOM 9517 H2 TIP3 6769 -24.455 21.709 -17.152 0.00 0.00 WT0 H +ATOM 9518 OH2 TIP3 6771 12.975 -11.410 -14.439 0.00 0.00 WT0 O +ATOM 9519 H1 TIP3 6771 13.265 -12.190 -13.959 0.00 0.00 WT0 H +ATOM 9520 H2 TIP3 6771 12.265 -11.720 -14.999 0.00 0.00 WT0 H +ATOM 9521 OH2 TIP3 6773 -21.221 -8.757 19.655 0.00 0.00 WT0 O +ATOM 9522 H1 TIP3 6773 -21.881 -8.967 20.315 0.00 0.00 WT0 H +ATOM 9523 H2 TIP3 6773 -20.991 -7.837 19.825 0.00 0.00 WT0 H +ATOM 9524 OH2 TIP3 6776 -9.767 -16.469 -19.158 0.00 0.00 WT0 O +ATOM 9525 H1 TIP3 6776 -9.587 -15.539 -19.018 0.00 0.00 WT0 H +ATOM 9526 H2 TIP3 6776 -8.957 -16.919 -18.918 0.00 0.00 WT0 H +ATOM 9527 OH2 TIP3 6777 10.991 -18.364 7.481 0.00 0.00 WT0 O +ATOM 9528 H1 TIP3 6777 10.271 -18.984 7.511 0.00 0.00 WT0 H +ATOM 9529 H2 TIP3 6777 11.551 -18.604 8.211 0.00 0.00 WT0 H +ATOM 9530 OH2 TIP3 6788 7.015 -20.018 13.831 0.00 0.00 WT0 O +ATOM 9531 H1 TIP3 6788 6.545 -19.188 13.801 0.00 0.00 WT0 H +ATOM 9532 H2 TIP3 6788 6.775 -20.398 14.671 0.00 0.00 WT0 H +ATOM 9533 OH2 TIP3 6789 -0.739 -11.741 17.143 0.00 0.00 WT0 O +ATOM 9534 H1 TIP3 6789 -0.319 -12.601 17.143 0.00 0.00 WT0 H +ATOM 9535 H2 TIP3 6789 -1.359 -11.781 17.873 0.00 0.00 WT0 H +ATOM 9536 OH2 TIP3 6790 -24.013 -2.644 -17.031 0.00 0.00 WT0 O +ATOM 9537 H1 TIP3 6790 -23.733 -3.314 -16.401 0.00 0.00 WT0 H +ATOM 9538 H2 TIP3 6790 -23.433 -1.904 -16.881 0.00 0.00 WT0 H +ATOM 9539 OH2 TIP3 6791 23.886 -14.874 17.059 0.00 0.00 WT0 O +ATOM 9540 H1 TIP3 6791 24.756 -15.144 16.749 0.00 0.00 WT0 H +ATOM 9541 H2 TIP3 6791 23.876 -15.134 17.979 0.00 0.00 WT0 H +ATOM 9542 OH2 TIP3 6793 2.980 -15.908 -18.179 0.00 0.00 WT0 O +ATOM 9543 H1 TIP3 6793 2.180 -15.698 -17.689 0.00 0.00 WT0 H +ATOM 9544 H2 TIP3 6793 2.930 -15.348 -18.959 0.00 0.00 WT0 H +ATOM 9545 OH2 TIP3 6794 2.319 15.654 3.137 0.00 0.00 WT0 O +ATOM 9546 H1 TIP3 6794 1.509 15.344 2.717 0.00 0.00 WT0 H +ATOM 9547 H2 TIP3 6794 2.979 15.014 2.867 0.00 0.00 WT0 H +ATOM 9548 OH2 TIP3 6795 -11.142 5.048 -8.929 0.00 0.00 WT0 O +ATOM 9549 H1 TIP3 6795 -10.492 4.718 -8.329 0.00 0.00 WT0 H +ATOM 9550 H2 TIP3 6795 -11.382 4.298 -9.479 0.00 0.00 WT0 H +ATOM 9551 OH2 TIP3 6797 -11.065 -24.093 -18.138 0.00 0.00 WT0 O +ATOM 9552 H1 TIP3 6797 -11.875 -24.443 -18.508 0.00 0.00 WT0 H +ATOM 9553 H2 TIP3 6797 -10.365 -24.443 -18.698 0.00 0.00 WT0 H +ATOM 9554 OH2 TIP3 6802 13.787 6.739 7.515 0.00 0.00 WT0 O +ATOM 9555 H1 TIP3 6802 13.297 6.249 6.855 0.00 0.00 WT0 H +ATOM 9556 H2 TIP3 6802 13.897 6.119 8.235 0.00 0.00 WT0 H +ATOM 9557 OH2 TIP3 6803 11.314 16.921 -3.162 0.00 0.00 WT0 O +ATOM 9558 H1 TIP3 6803 10.974 17.531 -2.502 0.00 0.00 WT0 H +ATOM 9559 H2 TIP3 6803 11.424 17.451 -3.952 0.00 0.00 WT0 H +ATOM 9560 OH2 TIP3 6807 -21.093 -2.765 -11.886 0.00 0.00 WT0 O +ATOM 9561 H1 TIP3 6807 -21.313 -3.685 -11.986 0.00 0.00 WT0 H +ATOM 9562 H2 TIP3 6807 -21.033 -2.625 -10.936 0.00 0.00 WT0 H +ATOM 9563 OH2 TIP3 6808 -19.445 -10.891 -18.165 0.00 0.00 WT0 O +ATOM 9564 H1 TIP3 6808 -18.755 -11.521 -17.995 0.00 0.00 WT0 H +ATOM 9565 H2 TIP3 6808 -19.895 -11.231 -18.935 0.00 0.00 WT0 H +ATOM 9566 OH2 TIP3 6814 -22.764 -1.275 23.452 0.00 0.00 WT0 O +ATOM 9567 H1 TIP3 6814 -22.664 -1.345 24.392 0.00 0.00 WT0 H +ATOM 9568 H2 TIP3 6814 -23.084 -0.385 23.312 0.00 0.00 WT0 H +ATOM 9569 OH2 TIP3 6816 19.180 9.005 -15.771 0.00 0.00 WT0 O +ATOM 9570 H1 TIP3 6816 19.540 9.735 -16.271 0.00 0.00 WT0 H +ATOM 9571 H2 TIP3 6816 18.820 9.415 -14.971 0.00 0.00 WT0 H +ATOM 9572 OH2 TIP3 6817 -18.241 -22.616 -21.176 0.00 0.00 WT0 O +ATOM 9573 H1 TIP3 6817 -18.281 -23.436 -20.686 0.00 0.00 WT0 H +ATOM 9574 H2 TIP3 6817 -19.041 -22.606 -21.706 0.00 0.00 WT0 H +ATOM 9575 OH2 TIP3 6819 -5.530 15.272 -0.167 0.00 0.00 WT0 O +ATOM 9576 H1 TIP3 6819 -5.780 15.182 0.753 0.00 0.00 WT0 H +ATOM 9577 H2 TIP3 6819 -6.370 15.352 -0.637 0.00 0.00 WT0 H +ATOM 9578 OH2 TIP3 6820 -8.683 -21.259 -11.948 0.00 0.00 WT0 O +ATOM 9579 H1 TIP3 6820 -9.253 -20.529 -11.728 0.00 0.00 WT0 H +ATOM 9580 H2 TIP3 6820 -7.953 -20.859 -12.428 0.00 0.00 WT0 H +ATOM 9581 OH2 TIP3 6823 -6.605 -23.492 24.266 0.00 0.00 WT0 O +ATOM 9582 H1 TIP3 6823 -5.915 -23.952 24.746 0.00 0.00 WT0 H +ATOM 9583 H2 TIP3 6823 -6.515 -23.792 23.366 0.00 0.00 WT0 H +ATOM 9584 OH2 TIP3 6825 -13.866 -12.333 13.852 0.00 0.00 WT0 O +ATOM 9585 H1 TIP3 6825 -13.776 -13.243 14.142 0.00 0.00 WT0 H +ATOM 9586 H2 TIP3 6825 -13.236 -12.233 13.142 0.00 0.00 WT0 H +ATOM 9587 OH2 TIP3 6828 8.924 -4.856 15.855 0.00 0.00 WT0 O +ATOM 9588 H1 TIP3 6828 8.404 -5.536 16.285 0.00 0.00 WT0 H +ATOM 9589 H2 TIP3 6828 9.164 -4.246 16.555 0.00 0.00 WT0 H +ATOM 9590 OH2 TIP3 6829 3.966 -13.390 10.826 0.00 0.00 WT0 O +ATOM 9591 H1 TIP3 6829 4.486 -14.110 11.186 0.00 0.00 WT0 H +ATOM 9592 H2 TIP3 6829 3.056 -13.660 10.986 0.00 0.00 WT0 H +ATOM 9593 OH2 TIP3 6830 4.799 -10.137 -17.841 0.00 0.00 WT0 O +ATOM 9594 H1 TIP3 6830 5.739 -10.267 -17.961 0.00 0.00 WT0 H +ATOM 9595 H2 TIP3 6830 4.679 -9.187 -17.911 0.00 0.00 WT0 H +ATOM 9596 OH2 TIP3 6831 15.241 18.531 13.972 0.00 0.00 WT0 O +ATOM 9597 H1 TIP3 6831 16.061 18.131 14.272 0.00 0.00 WT0 H +ATOM 9598 H2 TIP3 6831 15.461 18.911 13.112 0.00 0.00 WT0 H +ATOM 9599 OH2 TIP3 6832 -22.301 -6.495 3.008 0.00 0.00 WT0 O +ATOM 9600 H1 TIP3 6832 -22.731 -5.685 2.728 0.00 0.00 WT0 H +ATOM 9601 H2 TIP3 6832 -21.541 -6.565 2.428 0.00 0.00 WT0 H +ATOM 9602 OH2 TIP3 6833 -3.011 14.339 -23.305 0.00 0.00 WT0 O +ATOM 9603 H1 TIP3 6833 -3.731 13.879 -23.735 0.00 0.00 WT0 H +ATOM 9604 H2 TIP3 6833 -2.901 15.139 -23.825 0.00 0.00 WT0 H +ATOM 9605 OH2 TIP3 6834 22.198 -16.698 -21.965 0.00 0.00 WT0 O +ATOM 9606 H1 TIP3 6834 21.568 -17.068 -22.575 0.00 0.00 WT0 H +ATOM 9607 H2 TIP3 6834 22.278 -17.358 -21.275 0.00 0.00 WT0 H +ATOM 9608 OH2 TIP3 6835 15.839 -0.818 22.965 0.00 0.00 WT0 O +ATOM 9609 H1 TIP3 6835 15.469 -0.828 22.085 0.00 0.00 WT0 H +ATOM 9610 H2 TIP3 6835 15.989 0.112 23.155 0.00 0.00 WT0 H +ATOM 9611 OH2 TIP3 6837 -3.625 13.327 13.959 0.00 0.00 WT0 O +ATOM 9612 H1 TIP3 6837 -3.285 13.987 14.569 0.00 0.00 WT0 H +ATOM 9613 H2 TIP3 6837 -2.995 13.327 13.239 0.00 0.00 WT0 H +ATOM 9614 OH2 TIP3 6838 13.680 15.987 -0.321 0.00 0.00 WT0 O +ATOM 9615 H1 TIP3 6838 14.590 15.697 -0.301 0.00 0.00 WT0 H +ATOM 9616 H2 TIP3 6838 13.730 16.927 -0.531 0.00 0.00 WT0 H +ATOM 9617 OH2 TIP3 6846 -2.367 16.241 24.416 0.00 0.00 WT0 O +ATOM 9618 H1 TIP3 6846 -1.507 15.951 24.126 0.00 0.00 WT0 H +ATOM 9619 H2 TIP3 6846 -2.187 16.941 25.046 0.00 0.00 WT0 H +ATOM 9620 OH2 TIP3 6848 -20.644 20.802 -11.367 0.00 0.00 WT0 O +ATOM 9621 H1 TIP3 6848 -21.414 20.572 -11.897 0.00 0.00 WT0 H +ATOM 9622 H2 TIP3 6848 -20.704 21.752 -11.277 0.00 0.00 WT0 H +ATOM 9623 OH2 TIP3 6851 14.344 -16.027 23.205 0.00 0.00 WT0 O +ATOM 9624 H1 TIP3 6851 14.734 -16.857 23.505 0.00 0.00 WT0 H +ATOM 9625 H2 TIP3 6851 13.794 -16.277 22.465 0.00 0.00 WT0 H +ATOM 9626 OH2 TIP3 6852 6.896 7.504 16.019 0.00 0.00 WT0 O +ATOM 9627 H1 TIP3 6852 7.736 7.934 16.199 0.00 0.00 WT0 H +ATOM 9628 H2 TIP3 6852 6.466 7.454 16.869 0.00 0.00 WT0 H +ATOM 9629 OH2 TIP3 6854 -13.170 16.459 -12.668 0.00 0.00 WT0 O +ATOM 9630 H1 TIP3 6854 -13.220 17.169 -12.028 0.00 0.00 WT0 H +ATOM 9631 H2 TIP3 6854 -12.250 16.199 -12.668 0.00 0.00 WT0 H +ATOM 9632 OH2 TIP3 6855 -21.275 14.714 17.779 0.00 0.00 WT0 O +ATOM 9633 H1 TIP3 6855 -20.675 15.044 17.109 0.00 0.00 WT0 H +ATOM 9634 H2 TIP3 6855 -21.285 13.764 17.649 0.00 0.00 WT0 H +ATOM 9635 OH2 TIP3 6857 14.014 18.472 -1.663 0.00 0.00 WT0 O +ATOM 9636 H1 TIP3 6857 14.314 17.792 -2.263 0.00 0.00 WT0 H +ATOM 9637 H2 TIP3 6857 13.064 18.392 -1.653 0.00 0.00 WT0 H +ATOM 9638 OH2 TIP3 6859 18.271 21.152 -14.138 0.00 0.00 WT0 O +ATOM 9639 H1 TIP3 6859 19.201 21.052 -14.308 0.00 0.00 WT0 H +ATOM 9640 H2 TIP3 6859 18.071 20.522 -13.448 0.00 0.00 WT0 H +ATOM 9641 OH2 TIP3 6863 -15.950 -15.504 -0.798 0.00 0.00 WT0 O +ATOM 9642 H1 TIP3 6863 -15.240 -15.864 -0.268 0.00 0.00 WT0 H +ATOM 9643 H2 TIP3 6863 -15.830 -14.554 -0.748 0.00 0.00 WT0 H +ATOM 9644 OH2 TIP3 6867 14.781 23.790 -18.454 0.00 0.00 WT0 O +ATOM 9645 H1 TIP3 6867 15.071 23.430 -19.294 0.00 0.00 WT0 H +ATOM 9646 H2 TIP3 6867 13.941 24.220 -18.654 0.00 0.00 WT0 H +ATOM 9647 OH2 TIP3 6870 10.445 -19.739 23.440 0.00 0.00 WT0 O +ATOM 9648 H1 TIP3 6870 10.455 -19.419 22.540 0.00 0.00 WT0 H +ATOM 9649 H2 TIP3 6870 11.055 -20.479 23.440 0.00 0.00 WT0 H +ATOM 9650 OH2 TIP3 6872 -12.746 -21.628 -14.305 0.00 0.00 WT0 O +ATOM 9651 H1 TIP3 6872 -12.576 -22.438 -13.815 0.00 0.00 WT0 H +ATOM 9652 H2 TIP3 6872 -13.646 -21.718 -14.605 0.00 0.00 WT0 H +ATOM 9653 OH2 TIP3 6873 9.117 -12.608 -8.925 0.00 0.00 WT0 O +ATOM 9654 H1 TIP3 6873 8.887 -12.268 -9.785 0.00 0.00 WT0 H +ATOM 9655 H2 TIP3 6873 8.277 -12.808 -8.515 0.00 0.00 WT0 H +ATOM 9656 OH2 TIP3 6874 -15.527 19.423 -20.030 0.00 0.00 WT0 O +ATOM 9657 H1 TIP3 6874 -15.887 18.533 -19.950 0.00 0.00 WT0 H +ATOM 9658 H2 TIP3 6874 -15.127 19.433 -20.900 0.00 0.00 WT0 H +ATOM 9659 OH2 TIP3 6875 0.897 10.771 6.276 0.00 0.00 WT0 O +ATOM 9660 H1 TIP3 6875 1.317 10.921 5.426 0.00 0.00 WT0 H +ATOM 9661 H2 TIP3 6875 -0.043 10.811 6.086 0.00 0.00 WT0 H +ATOM 9662 OH2 TIP3 6876 1.704 13.657 13.409 0.00 0.00 WT0 O +ATOM 9663 H1 TIP3 6876 1.084 14.207 12.949 0.00 0.00 WT0 H +ATOM 9664 H2 TIP3 6876 1.874 14.117 14.229 0.00 0.00 WT0 H +ATOM 9665 OH2 TIP3 6878 -11.676 -12.643 -10.734 0.00 0.00 WT0 O +ATOM 9666 H1 TIP3 6878 -11.626 -12.433 -9.794 0.00 0.00 WT0 H +ATOM 9667 H2 TIP3 6878 -10.856 -13.103 -10.924 0.00 0.00 WT0 H +ATOM 9668 OH2 TIP3 6879 -4.887 10.472 16.529 0.00 0.00 WT0 O +ATOM 9669 H1 TIP3 6879 -5.017 9.712 17.089 0.00 0.00 WT0 H +ATOM 9670 H2 TIP3 6879 -4.797 10.112 15.649 0.00 0.00 WT0 H +ATOM 9671 OH2 TIP3 6881 12.206 -17.378 -25.155 0.00 0.00 WT0 O +ATOM 9672 H1 TIP3 6881 13.016 -17.048 -24.765 0.00 0.00 WT0 H +ATOM 9673 H2 TIP3 6881 11.846 -16.618 -25.615 0.00 0.00 WT0 H +ATOM 9674 OH2 TIP3 6882 -1.730 -2.085 -15.711 0.00 0.00 WT0 O +ATOM 9675 H1 TIP3 6882 -2.500 -2.155 -16.271 0.00 0.00 WT0 H +ATOM 9676 H2 TIP3 6882 -1.750 -1.195 -15.381 0.00 0.00 WT0 H +ATOM 9677 OH2 TIP3 6883 -1.485 3.404 -22.954 0.00 0.00 WT0 O +ATOM 9678 H1 TIP3 6883 -1.815 4.124 -23.484 0.00 0.00 WT0 H +ATOM 9679 H2 TIP3 6883 -0.615 3.234 -23.314 0.00 0.00 WT0 H +ATOM 9680 OH2 TIP3 6887 -9.909 -20.869 19.624 0.00 0.00 WT0 O +ATOM 9681 H1 TIP3 6887 -10.399 -21.579 19.224 0.00 0.00 WT0 H +ATOM 9682 H2 TIP3 6887 -9.119 -21.279 19.974 0.00 0.00 WT0 H +ATOM 9683 OH2 TIP3 6889 -21.162 -12.425 7.256 0.00 0.00 WT0 O +ATOM 9684 H1 TIP3 6889 -21.602 -12.475 8.106 0.00 0.00 WT0 H +ATOM 9685 H2 TIP3 6889 -21.442 -11.595 6.886 0.00 0.00 WT0 H +ATOM 9686 OH2 TIP3 6897 -13.609 -14.758 9.199 0.00 0.00 WT0 O +ATOM 9687 H1 TIP3 6897 -13.939 -13.888 9.429 0.00 0.00 WT0 H +ATOM 9688 H2 TIP3 6897 -14.269 -15.358 9.529 0.00 0.00 WT0 H +ATOM 9689 OH2 TIP3 6901 7.391 8.529 -14.493 0.00 0.00 WT0 O +ATOM 9690 H1 TIP3 6901 8.221 8.469 -14.953 0.00 0.00 WT0 H +ATOM 9691 H2 TIP3 6901 7.381 7.789 -13.893 0.00 0.00 WT0 H +ATOM 9692 OH2 TIP3 6902 -4.084 13.520 5.688 0.00 0.00 WT0 O +ATOM 9693 H1 TIP3 6902 -4.064 12.850 5.008 0.00 0.00 WT0 H +ATOM 9694 H2 TIP3 6902 -4.884 13.330 6.188 0.00 0.00 WT0 H +ATOM 9695 OH2 TIP3 6904 -13.125 20.900 -1.028 0.00 0.00 WT0 O +ATOM 9696 H1 TIP3 6904 -13.255 21.180 -1.928 0.00 0.00 WT0 H +ATOM 9697 H2 TIP3 6904 -12.355 20.320 -1.068 0.00 0.00 WT0 H +ATOM 9698 OH2 TIP3 6905 -3.824 -0.987 -17.156 0.00 0.00 WT0 O +ATOM 9699 H1 TIP3 6905 -3.524 -1.177 -18.046 0.00 0.00 WT0 H +ATOM 9700 H2 TIP3 6905 -4.634 -0.497 -17.276 0.00 0.00 WT0 H +ATOM 9701 OH2 TIP3 6917 18.456 -11.428 -18.175 0.00 0.00 WT0 O +ATOM 9702 H1 TIP3 6917 17.696 -11.388 -17.585 0.00 0.00 WT0 H +ATOM 9703 H2 TIP3 6917 18.176 -10.948 -18.955 0.00 0.00 WT0 H +ATOM 9704 OH2 TIP3 6918 22.849 18.803 23.730 0.00 0.00 WT0 O +ATOM 9705 H1 TIP3 6918 23.019 17.963 24.170 0.00 0.00 WT0 H +ATOM 9706 H2 TIP3 6918 23.599 18.933 23.160 0.00 0.00 WT0 H +ATOM 9707 OH2 TIP3 6920 20.685 -19.697 2.452 0.00 0.00 WT0 O +ATOM 9708 H1 TIP3 6920 19.835 -19.967 2.792 0.00 0.00 WT0 H +ATOM 9709 H2 TIP3 6920 21.295 -19.847 3.172 0.00 0.00 WT0 H +ATOM 9710 OH2 TIP3 6921 -1.803 12.802 -10.434 0.00 0.00 WT0 O +ATOM 9711 H1 TIP3 6921 -0.953 12.362 -10.444 0.00 0.00 WT0 H +ATOM 9712 H2 TIP3 6921 -2.113 12.742 -11.334 0.00 0.00 WT0 H +ATOM 9713 OH2 TIP3 6926 -20.405 0.596 -18.258 0.00 0.00 WT0 O +ATOM 9714 H1 TIP3 6926 -20.365 -0.324 -17.988 0.00 0.00 WT0 H +ATOM 9715 H2 TIP3 6926 -19.505 0.806 -18.508 0.00 0.00 WT0 H +ATOM 9716 OH2 TIP3 6928 3.699 -11.235 24.299 0.00 0.00 WT0 O +ATOM 9717 H1 TIP3 6928 3.629 -10.455 23.749 0.00 0.00 WT0 H +ATOM 9718 H2 TIP3 6928 2.849 -11.315 24.729 0.00 0.00 WT0 H +ATOM 9719 OH2 TIP3 6934 10.366 6.729 -21.058 0.00 0.00 WT0 O +ATOM 9720 H1 TIP3 6934 10.826 7.239 -21.718 0.00 0.00 WT0 H +ATOM 9721 H2 TIP3 6934 9.896 7.389 -20.538 0.00 0.00 WT0 H +ATOM 9722 OH2 TIP3 6935 4.278 -23.341 21.276 0.00 0.00 WT0 O +ATOM 9723 H1 TIP3 6935 5.048 -23.881 21.446 0.00 0.00 WT0 H +ATOM 9724 H2 TIP3 6935 3.948 -23.121 22.146 0.00 0.00 WT0 H +ATOM 9725 OH2 TIP3 6952 -12.023 0.932 -1.435 0.00 0.00 WT0 O +ATOM 9726 H1 TIP3 6952 -11.413 1.672 -1.495 0.00 0.00 WT0 H +ATOM 9727 H2 TIP3 6952 -11.893 0.452 -2.245 0.00 0.00 WT0 H +ATOM 9728 OH2 TIP3 6953 9.373 21.392 13.706 0.00 0.00 WT0 O +ATOM 9729 H1 TIP3 6953 9.303 20.982 14.566 0.00 0.00 WT0 H +ATOM 9730 H2 TIP3 6953 10.113 20.962 13.296 0.00 0.00 WT0 H +ATOM 9731 OH2 TIP3 6954 13.745 19.424 -24.915 0.00 0.00 WT0 O +ATOM 9732 H1 TIP3 6954 13.325 20.274 -24.795 0.00 0.00 WT0 H +ATOM 9733 H2 TIP3 6954 13.035 18.794 -24.795 0.00 0.00 WT0 H +ATOM 9734 OH2 TIP3 6955 9.757 -19.315 -8.705 0.00 0.00 WT0 O +ATOM 9735 H1 TIP3 6955 9.837 -19.455 -7.755 0.00 0.00 WT0 H +ATOM 9736 H2 TIP3 6955 10.237 -20.035 -9.095 0.00 0.00 WT0 H +ATOM 9737 OH2 TIP3 6962 -7.823 -0.412 6.796 0.00 0.00 WT0 O +ATOM 9738 H1 TIP3 6962 -7.833 -0.512 5.836 0.00 0.00 WT0 H +ATOM 9739 H2 TIP3 6962 -7.063 0.138 6.966 0.00 0.00 WT0 H +ATOM 9740 OH2 TIP3 6968 21.796 13.275 -15.131 0.00 0.00 WT0 O +ATOM 9741 H1 TIP3 6968 22.716 13.005 -15.161 0.00 0.00 WT0 H +ATOM 9742 H2 TIP3 6968 21.476 12.955 -14.281 0.00 0.00 WT0 H +ATOM 9743 OH2 TIP3 6969 -14.951 3.712 -22.368 0.00 0.00 WT0 O +ATOM 9744 H1 TIP3 6969 -14.561 4.152 -23.128 0.00 0.00 WT0 H +ATOM 9745 H2 TIP3 6969 -15.061 2.802 -22.658 0.00 0.00 WT0 H +ATOM 9746 OH2 TIP3 6975 -3.810 -15.509 3.422 0.00 0.00 WT0 O +ATOM 9747 H1 TIP3 6975 -3.510 -14.849 2.802 0.00 0.00 WT0 H +ATOM 9748 H2 TIP3 6975 -4.570 -15.909 2.992 0.00 0.00 WT0 H +ATOM 9749 OH2 TIP3 6979 5.746 -5.737 -15.888 0.00 0.00 WT0 O +ATOM 9750 H1 TIP3 6979 5.786 -6.687 -15.958 0.00 0.00 WT0 H +ATOM 9751 H2 TIP3 6979 4.896 -5.507 -16.248 0.00 0.00 WT0 H +ATOM 9752 OH2 TIP3 6982 23.769 -24.464 23.129 0.00 0.00 WT0 O +ATOM 9753 H1 TIP3 6982 24.549 -24.924 22.849 0.00 0.00 WT0 H +ATOM 9754 H2 TIP3 6982 23.149 -25.164 23.359 0.00 0.00 WT0 H +ATOM 9755 OH2 TIP3 6986 -6.312 -4.999 -16.822 0.00 0.00 WT0 O +ATOM 9756 H1 TIP3 6986 -6.362 -5.959 -16.832 0.00 0.00 WT0 H +ATOM 9757 H2 TIP3 6986 -5.452 -4.809 -16.442 0.00 0.00 WT0 H +ATOM 9758 OH2 TIP3 6999 -13.105 22.744 11.977 0.00 0.00 WT0 O +ATOM 9759 H1 TIP3 6999 -12.975 23.434 11.327 0.00 0.00 WT0 H +ATOM 9760 H2 TIP3 6999 -13.685 23.124 12.627 0.00 0.00 WT0 H +ATOM 9761 OH2 TIP3 7001 11.885 -0.207 9.628 0.00 0.00 WT0 O +ATOM 9762 H1 TIP3 7001 12.255 0.653 9.418 0.00 0.00 WT0 H +ATOM 9763 H2 TIP3 7001 12.195 -0.377 10.518 0.00 0.00 WT0 H +ATOM 9764 OH2 TIP3 7003 8.735 -16.845 -20.768 0.00 0.00 WT0 O +ATOM 9765 H1 TIP3 7003 7.965 -16.285 -20.838 0.00 0.00 WT0 H +ATOM 9766 H2 TIP3 7003 8.785 -17.085 -19.838 0.00 0.00 WT0 H +ATOM 9767 OH2 TIP3 7017 23.736 10.708 -19.131 0.00 0.00 WT0 O +ATOM 9768 H1 TIP3 7017 24.316 11.458 -19.211 0.00 0.00 WT0 H +ATOM 9769 H2 TIP3 7017 22.986 11.038 -18.641 0.00 0.00 WT0 H +ATOM 9770 OH2 TIP3 7019 7.314 6.066 -7.234 0.00 0.00 WT0 O +ATOM 9771 H1 TIP3 7019 6.404 5.766 -7.284 0.00 0.00 WT0 H +ATOM 9772 H2 TIP3 7019 7.294 6.936 -7.644 0.00 0.00 WT0 H +ATOM 9773 OH2 TIP3 7021 -18.196 2.272 -0.219 0.00 0.00 WT0 O +ATOM 9774 H1 TIP3 7021 -18.966 2.352 0.331 0.00 0.00 WT0 H +ATOM 9775 H2 TIP3 7021 -17.466 2.542 0.331 0.00 0.00 WT0 H +ATOM 9776 OH2 TIP3 7023 8.639 21.734 -12.461 0.00 0.00 WT0 O +ATOM 9777 H1 TIP3 7023 9.289 22.314 -12.061 0.00 0.00 WT0 H +ATOM 9778 H2 TIP3 7023 8.589 22.014 -13.371 0.00 0.00 WT0 H +ATOM 9779 OH2 TIP3 7027 6.289 7.435 -17.481 0.00 0.00 WT0 O +ATOM 9780 H1 TIP3 7027 6.449 7.125 -16.591 0.00 0.00 WT0 H +ATOM 9781 H2 TIP3 7027 5.369 7.685 -17.481 0.00 0.00 WT0 H +ATOM 9782 OH2 TIP3 7029 -11.536 -19.887 22.439 0.00 0.00 WT0 O +ATOM 9783 H1 TIP3 7029 -10.996 -20.327 21.779 0.00 0.00 WT0 H +ATOM 9784 H2 TIP3 7029 -11.216 -20.227 23.269 0.00 0.00 WT0 H +ATOM 9785 OH2 TIP3 7045 -24.325 -18.298 -17.536 0.00 0.00 WT0 O +ATOM 9786 H1 TIP3 7045 -23.755 -18.568 -16.806 0.00 0.00 WT0 H +ATOM 9787 H2 TIP3 7045 -25.205 -18.288 -17.156 0.00 0.00 WT0 H +ATOM 9788 OH2 TIP3 7046 -4.835 14.410 -6.111 0.00 0.00 WT0 O +ATOM 9789 H1 TIP3 7046 -5.515 15.090 -6.071 0.00 0.00 WT0 H +ATOM 9790 H2 TIP3 7046 -4.865 14.100 -7.011 0.00 0.00 WT0 H +ATOM 9791 OH2 TIP3 7050 -10.062 -1.890 -0.272 0.00 0.00 WT0 O +ATOM 9792 H1 TIP3 7050 -9.112 -1.740 -0.372 0.00 0.00 WT0 H +ATOM 9793 H2 TIP3 7050 -10.382 -2.020 -1.162 0.00 0.00 WT0 H +ATOM 9794 OH2 TIP3 7052 24.134 16.523 -23.657 0.00 0.00 WT0 O +ATOM 9795 H1 TIP3 7052 23.614 16.273 -22.887 0.00 0.00 WT0 H +ATOM 9796 H2 TIP3 7052 23.514 16.513 -24.377 0.00 0.00 WT0 H +ATOM 9797 OH2 TIP3 7066 -13.946 5.235 20.940 0.00 0.00 WT0 O +ATOM 9798 H1 TIP3 7066 -14.096 5.115 21.880 0.00 0.00 WT0 H +ATOM 9799 H2 TIP3 7066 -14.676 4.795 20.520 0.00 0.00 WT0 H +ATOM 9800 OH2 TIP3 7068 13.196 7.480 19.271 0.00 0.00 WT0 O +ATOM 9801 H1 TIP3 7068 13.036 8.210 19.871 0.00 0.00 WT0 H +ATOM 9802 H2 TIP3 7068 14.046 7.680 18.871 0.00 0.00 WT0 H +ATOM 9803 OH2 TIP3 7073 -8.201 -10.610 -19.944 0.00 0.00 WT0 O +ATOM 9804 H1 TIP3 7073 -8.021 -9.670 -19.884 0.00 0.00 WT0 H +ATOM 9805 H2 TIP3 7073 -7.541 -11.020 -19.384 0.00 0.00 WT0 H +ATOM 9806 OH2 TIP3 7078 -7.813 10.172 4.111 0.00 0.00 WT0 O +ATOM 9807 H1 TIP3 7078 -8.153 10.072 3.221 0.00 0.00 WT0 H +ATOM 9808 H2 TIP3 7078 -8.233 10.962 4.451 0.00 0.00 WT0 H +ATOM 9809 OH2 TIP3 7083 0.126 -5.784 -18.702 0.00 0.00 WT0 O +ATOM 9810 H1 TIP3 7083 0.016 -5.784 -19.652 0.00 0.00 WT0 H +ATOM 9811 H2 TIP3 7083 1.006 -5.444 -18.562 0.00 0.00 WT0 H +ATOM 9812 OH2 TIP3 7085 12.008 5.792 5.591 0.00 0.00 WT0 O +ATOM 9813 H1 TIP3 7085 11.948 4.932 5.161 0.00 0.00 WT0 H +ATOM 9814 H2 TIP3 7085 11.288 5.792 6.221 0.00 0.00 WT0 H +ATOM 9815 OH2 TIP3 7088 0.178 11.689 -7.498 0.00 0.00 WT0 O +ATOM 9816 H1 TIP3 7088 0.438 12.499 -7.918 0.00 0.00 WT0 H +ATOM 9817 H2 TIP3 7088 -0.702 11.519 -7.818 0.00 0.00 WT0 H +ATOM 9818 OH2 TIP3 7099 -11.115 -10.308 21.451 0.00 0.00 WT0 O +ATOM 9819 H1 TIP3 7099 -11.815 -10.088 20.841 0.00 0.00 WT0 H +ATOM 9820 H2 TIP3 7099 -10.345 -9.858 21.101 0.00 0.00 WT0 H +ATOM 9821 OH2 TIP3 7105 -1.961 18.619 -6.278 0.00 0.00 WT0 O +ATOM 9822 H1 TIP3 7105 -2.201 18.169 -5.468 0.00 0.00 WT0 H +ATOM 9823 H2 TIP3 7105 -1.511 19.419 -5.988 0.00 0.00 WT0 H +ATOM 9824 OH2 TIP3 7109 -11.065 -7.683 1.366 0.00 0.00 WT0 O +ATOM 9825 H1 TIP3 7109 -11.565 -7.343 2.106 0.00 0.00 WT0 H +ATOM 9826 H2 TIP3 7109 -10.985 -8.623 1.536 0.00 0.00 WT0 H +ATOM 9827 OH2 TIP3 7110 12.641 13.018 -14.326 0.00 0.00 WT0 O +ATOM 9828 H1 TIP3 7110 12.081 12.238 -14.326 0.00 0.00 WT0 H +ATOM 9829 H2 TIP3 7110 12.041 13.728 -14.086 0.00 0.00 WT0 H +ATOM 9830 OH2 TIP3 7117 11.276 18.539 8.207 0.00 0.00 WT0 O +ATOM 9831 H1 TIP3 7117 11.896 18.659 8.937 0.00 0.00 WT0 H +ATOM 9832 H2 TIP3 7117 11.306 17.599 8.027 0.00 0.00 WT0 H +ATOM 9833 OH2 TIP3 7118 -1.253 4.135 9.157 0.00 0.00 WT0 O +ATOM 9834 H1 TIP3 7118 -1.363 4.805 9.837 0.00 0.00 WT0 H +ATOM 9835 H2 TIP3 7118 -0.483 3.635 9.437 0.00 0.00 WT0 H +ATOM 9836 OH2 TIP3 7121 -14.148 6.512 12.889 0.00 0.00 WT0 O +ATOM 9837 H1 TIP3 7121 -14.079 5.592 12.659 0.00 0.00 WT0 H +ATOM 9838 H2 TIP3 7121 -15.069 6.622 13.149 0.00 0.00 WT0 H +ATOM 9839 OH2 TIP3 7122 -20.937 -21.028 -19.365 0.00 0.00 WT0 O +ATOM 9840 H1 TIP3 7122 -21.307 -21.878 -19.595 0.00 0.00 WT0 H +ATOM 9841 H2 TIP3 7122 -19.997 -21.158 -19.385 0.00 0.00 WT0 H +ATOM 9842 OH2 TIP3 7125 13.574 -18.015 16.017 0.00 0.00 WT0 O +ATOM 9843 H1 TIP3 7125 12.864 -18.465 16.467 0.00 0.00 WT0 H +ATOM 9844 H2 TIP3 7125 13.124 -17.435 15.397 0.00 0.00 WT0 H +ATOM 9845 OH2 TIP3 7126 -5.709 -24.699 -6.303 0.00 0.00 WT0 O +ATOM 9846 H1 TIP3 7126 -5.069 -25.379 -6.543 0.00 0.00 WT0 H +ATOM 9847 H2 TIP3 7126 -5.698 -24.089 -7.033 0.00 0.00 WT0 H +ATOM 9848 OH2 TIP3 7127 18.877 14.638 -4.671 0.00 0.00 WT0 O +ATOM 9849 H1 TIP3 7127 18.677 14.978 -3.801 0.00 0.00 WT0 H +ATOM 9850 H2 TIP3 7127 19.037 13.698 -4.521 0.00 0.00 WT0 H +ATOM 9851 OH2 TIP3 7130 -15.163 -9.694 22.385 0.00 0.00 WT0 O +ATOM 9852 H1 TIP3 7130 -14.333 -9.204 22.405 0.00 0.00 WT0 H +ATOM 9853 H2 TIP3 7130 -15.833 -9.034 22.495 0.00 0.00 WT0 H +ATOM 9854 OH2 TIP3 7132 0.470 -22.766 -11.266 0.00 0.00 WT0 O +ATOM 9855 H1 TIP3 7132 0.700 -23.646 -10.976 0.00 0.00 WT0 H +ATOM 9856 H2 TIP3 7132 -0.240 -22.906 -11.896 0.00 0.00 WT0 H +ATOM 9857 OH2 TIP3 7133 2.613 15.868 -22.898 0.00 0.00 WT0 O +ATOM 9858 H1 TIP3 7133 3.293 16.038 -22.248 0.00 0.00 WT0 H +ATOM 9859 H2 TIP3 7133 2.693 14.928 -23.098 0.00 0.00 WT0 H +ATOM 9860 OH2 TIP3 7134 -19.567 -5.405 21.963 0.00 0.00 WT0 O +ATOM 9861 H1 TIP3 7134 -20.277 -5.585 22.583 0.00 0.00 WT0 H +ATOM 9862 H2 TIP3 7134 -19.367 -4.475 22.073 0.00 0.00 WT0 H +ATOM 9863 OH2 TIP3 7141 -10.081 8.345 -24.725 0.00 0.00 WT0 O +ATOM 9864 H1 TIP3 7141 -10.121 8.345 -25.685 0.00 0.00 WT0 H +ATOM 9865 H2 TIP3 7141 -9.771 9.215 -24.495 0.00 0.00 WT0 H +ATOM 9866 OH2 TIP3 7144 -3.177 14.180 0.384 0.00 0.00 WT0 O +ATOM 9867 H1 TIP3 7144 -3.517 14.060 1.274 0.00 0.00 WT0 H +ATOM 9868 H2 TIP3 7144 -3.937 14.470 -0.126 0.00 0.00 WT0 H +ATOM 9869 OH2 TIP3 7145 15.057 4.498 22.909 0.00 0.00 WT0 O +ATOM 9870 H1 TIP3 7145 14.127 4.568 23.109 0.00 0.00 WT0 H +ATOM 9871 H2 TIP3 7145 15.177 5.058 22.149 0.00 0.00 WT0 H +ATOM 9872 OH2 TIP3 7147 9.206 -20.364 9.792 0.00 0.00 WT0 O +ATOM 9873 H1 TIP3 7147 9.686 -21.184 9.892 0.00 0.00 WT0 H +ATOM 9874 H2 TIP3 7147 9.516 -19.814 10.512 0.00 0.00 WT0 H +ATOM 9875 OH2 TIP3 7149 22.377 -12.907 18.449 0.00 0.00 WT0 O +ATOM 9876 H1 TIP3 7149 23.037 -13.457 18.039 0.00 0.00 WT0 H +ATOM 9877 H2 TIP3 7149 21.927 -12.477 17.719 0.00 0.00 WT0 H +ATOM 9878 OH2 TIP3 7151 9.326 -11.875 -21.421 0.00 0.00 WT0 O +ATOM 9879 H1 TIP3 7151 9.276 -11.975 -22.371 0.00 0.00 WT0 H +ATOM 9880 H2 TIP3 7151 8.726 -11.145 -21.231 0.00 0.00 WT0 H +ATOM 9881 OH2 TIP3 7154 -1.510 10.864 -21.068 0.00 0.00 WT0 O +ATOM 9882 H1 TIP3 7154 -1.640 10.734 -20.138 0.00 0.00 WT0 H +ATOM 9883 H2 TIP3 7154 -2.030 11.644 -21.278 0.00 0.00 WT0 H +ATOM 9884 OH2 TIP3 7166 13.561 -23.987 7.806 0.00 0.00 WT0 O +ATOM 9885 H1 TIP3 7166 13.591 -23.027 7.906 0.00 0.00 WT0 H +ATOM 9886 H2 TIP3 7166 13.641 -24.127 6.866 0.00 0.00 WT0 H +ATOM 9887 OH2 TIP3 7168 21.004 24.121 -4.591 0.00 0.00 WT0 O +ATOM 9888 H1 TIP3 7168 20.164 24.301 -4.181 0.00 0.00 WT0 H +ATOM 9889 H2 TIP3 7168 21.404 23.451 -4.031 0.00 0.00 WT0 H +ATOM 9890 OH2 TIP3 7170 -19.226 -24.290 3.729 0.00 0.00 WT0 O +ATOM 9891 H1 TIP3 7170 -20.156 -24.520 3.749 0.00 0.00 WT0 H +ATOM 9892 H2 TIP3 7170 -18.876 -24.800 2.999 0.00 0.00 WT0 H +ATOM 9893 OH2 TIP3 7171 -6.942 -9.303 22.361 0.00 0.00 WT0 O +ATOM 9894 H1 TIP3 7171 -7.612 -9.453 23.031 0.00 0.00 WT0 H +ATOM 9895 H2 TIP3 7171 -7.442 -9.103 21.571 0.00 0.00 WT0 H +ATOM 9896 OH2 TIP3 7173 22.486 -4.148 5.485 0.00 0.00 WT0 O +ATOM 9897 H1 TIP3 7173 23.206 -4.358 6.075 0.00 0.00 WT0 H +ATOM 9898 H2 TIP3 7173 21.766 -3.888 6.065 0.00 0.00 WT0 H +ATOM 9899 OH2 TIP3 7174 -12.133 -12.800 -18.991 0.00 0.00 WT0 O +ATOM 9900 H1 TIP3 7174 -12.643 -12.950 -18.201 0.00 0.00 WT0 H +ATOM 9901 H2 TIP3 7174 -11.463 -12.170 -18.731 0.00 0.00 WT0 H +ATOM 9902 OH2 TIP3 7176 4.438 -11.018 -22.745 0.00 0.00 WT0 O +ATOM 9903 H1 TIP3 7176 3.638 -11.478 -22.485 0.00 0.00 WT0 H +ATOM 9904 H2 TIP3 7176 4.258 -10.098 -22.525 0.00 0.00 WT0 H +ATOM 9905 OH2 TIP3 7182 -8.762 23.393 -3.905 0.00 0.00 WT0 O +ATOM 9906 H1 TIP3 7182 -8.102 23.113 -4.535 0.00 0.00 WT0 H +ATOM 9907 H2 TIP3 7182 -9.502 23.683 -4.445 0.00 0.00 WT0 H +ATOM 9908 OH2 TIP3 7185 16.569 14.162 0.731 0.00 0.00 WT0 O +ATOM 9909 H1 TIP3 7185 16.879 14.242 -0.169 0.00 0.00 WT0 H +ATOM 9910 H2 TIP3 7185 17.019 14.862 1.201 0.00 0.00 WT0 H +ATOM 9911 OH2 TIP3 7193 -0.001 -23.647 -7.285 0.00 0.00 WT0 O +ATOM 9912 H1 TIP3 7193 0.879 -23.297 -7.405 0.00 0.00 WT0 H +ATOM 9913 H2 TIP3 7193 -0.031 -24.427 -7.825 0.00 0.00 WT0 H +ATOM 9914 OH2 TIP3 7196 1.616 -0.223 9.392 0.00 0.00 WT0 O +ATOM 9915 H1 TIP3 7196 1.856 0.517 8.832 0.00 0.00 WT0 H +ATOM 9916 H2 TIP3 7196 1.246 0.187 10.172 0.00 0.00 WT0 H +ATOM 9917 OH2 TIP3 7197 -4.806 22.560 2.282 0.00 0.00 WT0 O +ATOM 9918 H1 TIP3 7197 -4.326 23.390 2.222 0.00 0.00 WT0 H +ATOM 9919 H2 TIP3 7197 -4.176 21.900 1.992 0.00 0.00 WT0 H +ATOM 9920 OH2 TIP3 7198 -21.796 0.420 0.731 0.00 0.00 WT0 O +ATOM 9921 H1 TIP3 7198 -22.256 0.310 -0.099 0.00 0.00 WT0 H +ATOM 9922 H2 TIP3 7198 -21.346 1.270 0.651 0.00 0.00 WT0 H +ATOM 9923 OH2 TIP3 7200 -5.733 -0.487 24.860 0.00 0.00 WT0 O +ATOM 9924 H1 TIP3 7200 -6.593 -0.517 24.430 0.00 0.00 WT0 H +ATOM 9925 H2 TIP3 7200 -5.543 -1.387 25.100 0.00 0.00 WT0 H +ATOM 9926 OH2 TIP3 7202 20.831 -2.731 3.326 0.00 0.00 WT0 O +ATOM 9927 H1 TIP3 7202 20.601 -3.051 4.206 0.00 0.00 WT0 H +ATOM 9928 H2 TIP3 7202 20.292 -3.261 2.736 0.00 0.00 WT0 H +ATOM 9929 OH2 TIP3 7203 -3.316 -18.423 7.330 0.00 0.00 WT0 O +ATOM 9930 H1 TIP3 7203 -3.456 -18.573 6.400 0.00 0.00 WT0 H +ATOM 9931 H2 TIP3 7203 -4.196 -18.403 7.700 0.00 0.00 WT0 H +ATOM 9932 OH2 TIP3 7209 -18.756 -0.861 -0.617 0.00 0.00 WT0 O +ATOM 9933 H1 TIP3 7209 -19.426 -0.951 -1.297 0.00 0.00 WT0 H +ATOM 9934 H2 TIP3 7209 -18.626 0.089 -0.537 0.00 0.00 WT0 H +ATOM 9935 OH2 TIP3 7210 20.113 9.845 -7.158 0.00 0.00 WT0 O +ATOM 9936 H1 TIP3 7210 20.723 9.605 -6.458 0.00 0.00 WT0 H +ATOM 9937 H2 TIP3 7210 20.663 9.935 -7.938 0.00 0.00 WT0 H +ATOM 9938 OH2 TIP3 7211 9.647 4.471 11.037 0.00 0.00 WT0 O +ATOM 9939 H1 TIP3 7211 9.627 4.801 11.937 0.00 0.00 WT0 H +ATOM 9940 H2 TIP3 7211 8.997 3.781 11.017 0.00 0.00 WT0 H +ATOM 9941 OH2 TIP3 7212 -22.355 20.882 4.240 0.00 0.00 WT0 O +ATOM 9942 H1 TIP3 7212 -21.615 20.272 4.180 0.00 0.00 WT0 H +ATOM 9943 H2 TIP3 7212 -22.055 21.662 3.760 0.00 0.00 WT0 H +ATOM 9944 OH2 TIP3 7215 -1.941 5.765 -20.220 0.00 0.00 WT0 O +ATOM 9945 H1 TIP3 7215 -1.101 5.815 -20.680 0.00 0.00 WT0 H +ATOM 9946 H2 TIP3 7215 -1.761 5.185 -19.480 0.00 0.00 WT0 H +ATOM 9947 OH2 TIP3 7216 17.523 -4.747 -5.538 0.00 0.00 WT0 O +ATOM 9948 H1 TIP3 7216 18.343 -4.907 -5.078 0.00 0.00 WT0 H +ATOM 9949 H2 TIP3 7216 17.213 -3.907 -5.218 0.00 0.00 WT0 H +ATOM 9950 OH2 TIP3 7219 18.046 -1.661 24.922 0.00 0.00 WT0 O +ATOM 9951 H1 TIP3 7219 18.966 -1.421 24.822 0.00 0.00 WT0 H +ATOM 9952 H2 TIP3 7219 17.616 -1.261 24.162 0.00 0.00 WT0 H +ATOM 9953 OH2 TIP3 7222 -24.271 15.935 9.881 0.00 0.00 WT0 O +ATOM 9954 H1 TIP3 7222 -24.961 16.255 9.311 0.00 0.00 WT0 H +ATOM 9955 H2 TIP3 7222 -24.721 15.395 10.541 0.00 0.00 WT0 H +ATOM 9956 OH2 TIP3 7228 -21.743 -6.169 -5.053 0.00 0.00 WT0 O +ATOM 9957 H1 TIP3 7228 -22.053 -5.399 -5.523 0.00 0.00 WT0 H +ATOM 9958 H2 TIP3 7228 -22.103 -6.089 -4.173 0.00 0.00 WT0 H +ATOM 9959 OH2 TIP3 7229 7.381 17.648 -20.258 0.00 0.00 WT0 O +ATOM 9960 H1 TIP3 7229 8.151 18.048 -20.668 0.00 0.00 WT0 H +ATOM 9961 H2 TIP3 7229 7.681 16.778 -19.998 0.00 0.00 WT0 H +ATOM 9962 OH2 TIP3 7231 -6.242 -17.538 -9.730 0.00 0.00 WT0 O +ATOM 9963 H1 TIP3 7231 -6.842 -17.158 -10.360 0.00 0.00 WT0 H +ATOM 9964 H2 TIP3 7231 -6.132 -18.448 -10.020 0.00 0.00 WT0 H +ATOM 9965 OH2 TIP3 7238 20.443 -5.550 -7.450 0.00 0.00 WT0 O +ATOM 9966 H1 TIP3 7238 21.323 -5.430 -7.810 0.00 0.00 WT0 H +ATOM 9967 H2 TIP3 7238 20.593 -5.830 -6.540 0.00 0.00 WT0 H +ATOM 9968 OH2 TIP3 7242 -21.137 16.367 20.742 0.00 0.00 WT0 O +ATOM 9969 H1 TIP3 7242 -20.817 15.507 20.482 0.00 0.00 WT0 H +ATOM 9970 H2 TIP3 7242 -20.707 16.537 21.582 0.00 0.00 WT0 H +ATOM 9971 OH2 TIP3 7246 -24.069 -24.347 21.741 0.00 0.00 WT0 O +ATOM 9972 H1 TIP3 7246 -24.149 -25.057 21.101 0.00 0.00 WT0 H +ATOM 9973 H2 TIP3 7246 -24.119 -23.547 21.221 0.00 0.00 WT0 H +ATOM 9974 OH2 TIP3 7248 -25.006 2.432 2.591 0.00 0.00 WT0 O +ATOM 9975 H1 TIP3 7248 -25.916 2.162 2.441 0.00 0.00 WT0 H +ATOM 9976 H2 TIP3 7248 -24.686 2.692 1.721 0.00 0.00 WT0 H +ATOM 9977 OH2 TIP3 7251 -22.148 -5.691 -12.480 0.00 0.00 WT0 O +ATOM 9978 H1 TIP3 7251 -21.999 -6.481 -11.970 0.00 0.00 WT0 H +ATOM 9979 H2 TIP3 7251 -22.549 -6.001 -13.290 0.00 0.00 WT0 H +ATOM 9980 OH2 TIP3 7252 20.075 5.140 -25.241 0.00 0.00 WT0 O +ATOM 9981 H1 TIP3 7252 20.615 4.360 -25.161 0.00 0.00 WT0 H +ATOM 9982 H2 TIP3 7252 20.635 5.850 -24.921 0.00 0.00 WT0 H +ATOM 9983 OH2 TIP3 7253 -6.725 11.813 24.717 0.00 0.00 WT0 O +ATOM 9984 H1 TIP3 7253 -6.075 12.273 25.257 0.00 0.00 WT0 H +ATOM 9985 H2 TIP3 7253 -6.455 10.903 24.737 0.00 0.00 WT0 H +ATOM 9986 OH2 TIP3 7255 -18.950 4.057 -23.958 0.00 0.00 WT0 O +ATOM 9987 H1 TIP3 7255 -19.690 3.757 -23.438 0.00 0.00 WT0 H +ATOM 9988 H2 TIP3 7255 -18.980 3.537 -24.758 0.00 0.00 WT0 H +ATOM 9989 OH2 TIP3 7257 24.381 16.236 -18.495 0.00 0.00 WT0 O +ATOM 9990 H1 TIP3 7257 25.041 15.996 -19.145 0.00 0.00 WT0 H +ATOM 9991 H2 TIP3 7257 23.891 15.426 -18.345 0.00 0.00 WT0 H +ATOM 9992 OH2 TIP3 7259 -5.225 -2.684 -8.438 0.00 0.00 WT0 O +ATOM 9993 H1 TIP3 7259 -4.495 -2.064 -8.398 0.00 0.00 WT0 H +ATOM 9994 H2 TIP3 7259 -5.835 -2.374 -7.768 0.00 0.00 WT0 H +ATOM 9995 OH2 TIP3 7260 -22.839 -16.797 -19.495 0.00 0.00 WT0 O +ATOM 9996 H1 TIP3 7260 -23.259 -17.527 -19.055 0.00 0.00 WT0 H +ATOM 9997 H2 TIP3 7260 -22.399 -17.187 -20.245 0.00 0.00 WT0 H +ATOM 9998 OH2 TIP3 7262 14.184 -19.685 -17.845 0.00 0.00 WT0 O +ATOM 9999 H1 TIP3 7262 13.534 -20.035 -17.235 0.00 0.00 WT0 H +ATOM 10000 H2 TIP3 7262 14.044 -18.735 -17.835 0.00 0.00 WT0 H +ATOM 10001 OH2 TIP3 7267 -9.072 7.511 13.729 0.00 0.00 WT0 O +ATOM 10002 H1 TIP3 7267 -8.852 7.101 12.889 0.00 0.00 WT0 H +ATOM 10003 H2 TIP3 7267 -9.992 7.321 13.859 0.00 0.00 WT0 H +ATOM 10004 OH2 TIP3 7272 13.500 4.402 16.307 0.00 0.00 WT0 O +ATOM 10005 H1 TIP3 7272 13.070 4.892 15.607 0.00 0.00 WT0 H +ATOM 10006 H2 TIP3 7272 12.780 4.142 16.897 0.00 0.00 WT0 H +ATOM 10007 OH2 TIP3 7273 16.701 9.547 -25.041 0.00 0.00 WT0 O +ATOM 10008 H1 TIP3 7273 15.991 9.897 -25.591 0.00 0.00 WT0 H +ATOM 10009 H2 TIP3 7273 17.201 10.327 -24.781 0.00 0.00 WT0 H +ATOM 10010 OH2 TIP3 7274 5.035 19.128 -24.881 0.00 0.00 WT0 O +ATOM 10011 H1 TIP3 7274 4.965 18.638 -25.701 0.00 0.00 WT0 H +ATOM 10012 H2 TIP3 7274 4.795 20.028 -25.111 0.00 0.00 WT0 H +ATOM 10013 OH2 TIP3 7276 -14.262 1.686 -19.996 0.00 0.00 WT0 O +ATOM 10014 H1 TIP3 7276 -13.372 1.346 -20.116 0.00 0.00 WT0 H +ATOM 10015 H2 TIP3 7276 -14.802 1.116 -20.546 0.00 0.00 WT0 H +ATOM 10016 OH2 TIP3 7279 19.539 3.300 7.344 0.00 0.00 WT0 O +ATOM 10017 H1 TIP3 7279 20.349 3.500 7.814 0.00 0.00 WT0 H +ATOM 10018 H2 TIP3 7279 19.809 3.170 6.444 0.00 0.00 WT0 H +ATOM 10019 OH2 TIP3 7280 -2.924 -16.145 -20.019 0.00 0.00 WT0 O +ATOM 10020 H1 TIP3 7280 -2.094 -16.575 -20.239 0.00 0.00 WT0 H +ATOM 10021 H2 TIP3 7280 -2.764 -15.725 -19.179 0.00 0.00 WT0 H +ATOM 10022 OH2 TIP3 7295 9.864 -5.272 24.971 0.00 0.00 WT0 O +ATOM 10023 H1 TIP3 7295 10.284 -5.532 24.151 0.00 0.00 WT0 H +ATOM 10024 H2 TIP3 7295 10.444 -4.592 25.321 0.00 0.00 WT0 H +ATOM 10025 OH2 TIP3 7296 -22.805 17.039 -13.414 0.00 0.00 WT0 O +ATOM 10026 H1 TIP3 7296 -22.595 16.309 -14.004 0.00 0.00 WT0 H +ATOM 10027 H2 TIP3 7296 -22.755 16.649 -12.534 0.00 0.00 WT0 H +ATOM 10028 OH2 TIP3 7298 -23.593 -0.803 -20.858 0.00 0.00 WT0 O +ATOM 10029 H1 TIP3 7298 -23.743 -1.403 -21.588 0.00 0.00 WT0 H +ATOM 10030 H2 TIP3 7298 -24.093 -1.173 -20.128 0.00 0.00 WT0 H +ATOM 10031 OH2 TIP3 7300 -2.159 -1.098 0.767 0.00 0.00 WT0 O +ATOM 10032 H1 TIP3 7300 -2.849 -1.108 0.107 0.00 0.00 WT0 H +ATOM 10033 H2 TIP3 7300 -1.989 -0.168 0.927 0.00 0.00 WT0 H +ATOM 10034 OH2 TIP3 7302 11.010 22.995 -1.894 0.00 0.00 WT0 O +ATOM 10035 H1 TIP3 7302 11.810 23.525 -1.804 0.00 0.00 WT0 H +ATOM 10036 H2 TIP3 7302 10.920 22.865 -2.834 0.00 0.00 WT0 H +ATOM 10037 OH2 TIP3 7303 18.615 19.250 12.159 0.00 0.00 WT0 O +ATOM 10038 H1 TIP3 7303 19.165 19.260 12.929 0.00 0.00 WT0 H +ATOM 10039 H2 TIP3 7303 19.225 19.230 11.419 0.00 0.00 WT0 H +ATOM 10040 OH2 TIP3 7305 23.813 9.477 -14.965 0.00 0.00 WT0 O +ATOM 10041 H1 TIP3 7305 24.553 10.067 -15.105 0.00 0.00 WT0 H +ATOM 10042 H2 TIP3 7305 23.383 9.807 -14.185 0.00 0.00 WT0 H +ATOM 10043 OH2 TIP3 7307 -14.677 -20.696 23.656 0.00 0.00 WT0 O +ATOM 10044 H1 TIP3 7307 -13.967 -20.056 23.756 0.00 0.00 WT0 H +ATOM 10045 H2 TIP3 7307 -15.427 -20.276 24.086 0.00 0.00 WT0 H +ATOM 10046 OH2 TIP3 7311 3.597 -7.963 -24.064 0.00 0.00 WT0 O +ATOM 10047 H1 TIP3 7311 4.107 -8.493 -24.674 0.00 0.00 WT0 H +ATOM 10048 H2 TIP3 7311 4.237 -7.693 -23.394 0.00 0.00 WT0 H +ATOM 10049 OH2 TIP3 7312 15.743 -5.581 16.590 0.00 0.00 WT0 O +ATOM 10050 H1 TIP3 7312 15.503 -4.671 16.730 0.00 0.00 WT0 H +ATOM 10051 H2 TIP3 7312 15.523 -5.751 15.680 0.00 0.00 WT0 H +ATOM 10052 OH2 TIP3 7314 -3.733 8.414 11.582 0.00 0.00 WT0 O +ATOM 10053 H1 TIP3 7314 -3.013 8.884 11.172 0.00 0.00 WT0 H +ATOM 10054 H2 TIP3 7314 -3.723 7.554 11.152 0.00 0.00 WT0 H +ATOM 10055 OH2 TIP3 7316 -19.980 -0.801 24.676 0.00 0.00 WT0 O +ATOM 10056 H1 TIP3 7316 -20.860 -1.001 24.366 0.00 0.00 WT0 H +ATOM 10057 H2 TIP3 7316 -19.460 -1.571 24.446 0.00 0.00 WT0 H +ATOM 10058 OH2 TIP3 7317 -18.253 1.640 -21.645 0.00 0.00 WT0 O +ATOM 10059 H1 TIP3 7317 -18.003 2.470 -21.255 0.00 0.00 WT0 H +ATOM 10060 H2 TIP3 7317 -19.163 1.510 -21.385 0.00 0.00 WT0 H +ATOM 10061 OH2 TIP3 7326 -10.717 15.401 -8.204 0.00 0.00 WT0 O +ATOM 10062 H1 TIP3 7326 -10.297 14.621 -8.554 0.00 0.00 WT0 H +ATOM 10063 H2 TIP3 7326 -10.307 15.521 -7.344 0.00 0.00 WT0 H +ATOM 10064 OH2 TIP3 7331 9.680 -1.357 14.876 0.00 0.00 WT0 O +ATOM 10065 H1 TIP3 7331 10.320 -1.737 15.476 0.00 0.00 WT0 H +ATOM 10066 H2 TIP3 7331 9.350 -2.107 14.376 0.00 0.00 WT0 H +ATOM 10067 OH2 TIP3 7333 -13.724 -16.276 16.392 0.00 0.00 WT0 O +ATOM 10068 H1 TIP3 7333 -14.324 -16.256 17.142 0.00 0.00 WT0 H +ATOM 10069 H2 TIP3 7333 -12.894 -15.956 16.752 0.00 0.00 WT0 H +ATOM 10070 OH2 TIP3 7335 -3.996 -3.883 -20.269 0.00 0.00 WT0 O +ATOM 10071 H1 TIP3 7335 -3.636 -3.203 -19.699 0.00 0.00 WT0 H +ATOM 10072 H2 TIP3 7335 -4.046 -4.653 -19.719 0.00 0.00 WT0 H +ATOM 10073 OH2 TIP3 7344 5.425 -23.440 -16.465 0.00 0.00 WT0 O +ATOM 10074 H1 TIP3 7344 4.535 -23.110 -16.375 0.00 0.00 WT0 H +ATOM 10075 H2 TIP3 7344 5.415 -24.280 -16.005 0.00 0.00 WT0 H +ATOM 10076 OH2 TIP3 7351 -22.850 -0.269 -16.658 0.00 0.00 WT0 O +ATOM 10077 H1 TIP3 7351 -22.290 0.491 -16.818 0.00 0.00 WT0 H +ATOM 10078 H2 TIP3 7351 -23.580 0.071 -16.148 0.00 0.00 WT0 H +ATOM 10079 OH2 TIP3 7352 5.816 -3.854 -24.953 0.00 0.00 WT0 O +ATOM 10080 H1 TIP3 7352 5.286 -3.084 -25.163 0.00 0.00 WT0 H +ATOM 10081 H2 TIP3 7352 6.566 -3.514 -24.463 0.00 0.00 WT0 H +ATOM 10082 OH2 TIP3 7353 -14.587 12.620 -1.015 0.00 0.00 WT0 O +ATOM 10083 H1 TIP3 7353 -15.407 13.050 -0.785 0.00 0.00 WT0 H +ATOM 10084 H2 TIP3 7353 -14.797 11.680 -1.005 0.00 0.00 WT0 H +ATOM 10085 OH2 TIP3 7355 24.746 -24.237 -22.897 0.00 0.00 WT0 O +ATOM 10086 H1 TIP3 7355 25.006 -23.327 -22.777 0.00 0.00 WT0 H +ATOM 10087 H2 TIP3 7355 23.976 -24.347 -22.337 0.00 0.00 WT0 H +ATOM 10088 OH2 TIP3 7358 -21.251 18.661 -18.013 0.00 0.00 WT0 O +ATOM 10089 H1 TIP3 7358 -22.111 18.981 -18.303 0.00 0.00 WT0 H +ATOM 10090 H2 TIP3 7358 -20.671 19.421 -18.103 0.00 0.00 WT0 H +ATOM 10091 OH2 TIP3 7361 22.753 1.581 -23.841 0.00 0.00 WT0 O +ATOM 10092 H1 TIP3 7361 23.283 0.811 -24.041 0.00 0.00 WT0 H +ATOM 10093 H2 TIP3 7361 23.393 2.281 -23.691 0.00 0.00 WT0 H +ATOM 10094 OH2 TIP3 7365 5.248 21.308 13.805 0.00 0.00 WT0 O +ATOM 10095 H1 TIP3 7365 4.408 21.778 13.805 0.00 0.00 WT0 H +ATOM 10096 H2 TIP3 7365 5.008 20.408 13.575 0.00 0.00 WT0 H +ATOM 10097 OH2 TIP3 7367 18.220 -11.138 -14.633 0.00 0.00 WT0 O +ATOM 10098 H1 TIP3 7367 18.530 -11.398 -13.763 0.00 0.00 WT0 H +ATOM 10099 H2 TIP3 7367 18.660 -10.308 -14.803 0.00 0.00 WT0 H +ATOM 10100 OH2 TIP3 7374 6.613 -1.909 -1.484 0.00 0.00 WT0 O +ATOM 10101 H1 TIP3 7374 7.003 -1.219 -0.944 0.00 0.00 WT0 H +ATOM 10102 H2 TIP3 7374 5.753 -2.059 -1.094 0.00 0.00 WT0 H +ATOM 10103 OH2 TIP3 7376 12.484 -23.528 13.933 0.00 0.00 WT0 O +ATOM 10104 H1 TIP3 7376 12.364 -24.178 14.623 0.00 0.00 WT0 H +ATOM 10105 H2 TIP3 7376 12.774 -24.028 13.173 0.00 0.00 WT0 H +ATOM 10106 OH2 TIP3 7379 10.884 24.678 15.453 0.00 0.00 WT0 O +ATOM 10107 H1 TIP3 7379 10.034 25.038 15.213 0.00 0.00 WT0 H +ATOM 10108 H2 TIP3 7379 11.094 24.068 14.743 0.00 0.00 WT0 H +ATOM 10109 OH2 TIP3 7395 0.218 -0.142 -10.799 0.00 0.00 WT0 O +ATOM 10110 H1 TIP3 7395 -0.132 -0.382 -11.649 0.00 0.00 WT0 H +ATOM 10111 H2 TIP3 7395 -0.542 -0.132 -10.219 0.00 0.00 WT0 H +ATOM 10112 OH2 TIP3 7396 -1.527 24.100 12.047 0.00 0.00 WT0 O +ATOM 10113 H1 TIP3 7396 -1.077 24.320 11.237 0.00 0.00 WT0 H +ATOM 10114 H2 TIP3 7396 -1.007 23.390 12.427 0.00 0.00 WT0 H +ATOM 10115 OH2 TIP3 7398 24.398 -1.728 19.215 0.00 0.00 WT0 O +ATOM 10116 H1 TIP3 7398 24.968 -2.468 19.425 0.00 0.00 WT0 H +ATOM 10117 H2 TIP3 7398 24.788 -1.358 18.425 0.00 0.00 WT0 H +ATOM 10118 OH2 TIP3 7399 5.538 12.241 -14.904 0.00 0.00 WT0 O +ATOM 10119 H1 TIP3 7399 4.748 12.481 -14.414 0.00 0.00 WT0 H +ATOM 10120 H2 TIP3 7399 6.228 12.201 -14.244 0.00 0.00 WT0 H +ATOM 10121 OH2 TIP3 7437 -6.889 20.442 -4.183 0.00 0.00 WT0 O +ATOM 10122 H1 TIP3 7437 -6.409 20.382 -5.003 0.00 0.00 WT0 H +ATOM 10123 H2 TIP3 7437 -7.549 21.122 -4.343 0.00 0.00 WT0 H +ATOM 10124 OH2 TIP3 7444 10.066 16.415 20.036 0.00 0.00 WT0 O +ATOM 10125 H1 TIP3 7444 11.026 16.395 19.986 0.00 0.00 WT0 H +ATOM 10126 H2 TIP3 7444 9.776 16.175 19.156 0.00 0.00 WT0 H +ATOM 10127 OH2 TIP3 7472 -18.810 24.316 1.785 0.00 0.00 WT0 O +ATOM 10128 H1 TIP3 7472 -18.920 24.576 0.875 0.00 0.00 WT0 H +ATOM 10129 H2 TIP3 7472 -17.980 23.836 1.795 0.00 0.00 WT0 H +ATOM 10130 OH2 TIP3 7479 24.621 8.626 -6.838 0.00 0.00 WT0 O +ATOM 10131 H1 TIP3 7479 24.601 7.966 -7.528 0.00 0.00 WT0 H +ATOM 10132 H2 TIP3 7479 23.941 9.256 -7.078 0.00 0.00 WT0 H +ATOM 10133 OH2 TIP3 7480 -15.349 1.698 -17.299 0.00 0.00 WT0 O +ATOM 10134 H1 TIP3 7480 -15.379 0.948 -16.719 0.00 0.00 WT0 H +ATOM 10135 H2 TIP3 7480 -15.289 1.318 -18.179 0.00 0.00 WT0 H +ATOM 10136 OH2 TIP3 7481 20.131 21.962 -11.202 0.00 0.00 WT0 O +ATOM 10137 H1 TIP3 7481 20.401 21.412 -11.942 0.00 0.00 WT0 H +ATOM 10138 H2 TIP3 7481 20.601 21.602 -10.452 0.00 0.00 WT0 H +ATOM 10139 OH2 TIP3 7498 22.630 8.265 -23.248 0.00 0.00 WT0 O +ATOM 10140 H1 TIP3 7498 21.730 7.965 -23.398 0.00 0.00 WT0 H +ATOM 10141 H2 TIP3 7498 23.140 7.465 -23.158 0.00 0.00 WT0 H +ATOM 10142 OH2 TIP3 7501 -10.625 17.047 0.320 0.00 0.00 WT0 O +ATOM 10143 H1 TIP3 7501 -10.505 16.177 0.700 0.00 0.00 WT0 H +ATOM 10144 H2 TIP3 7501 -10.735 17.627 1.070 0.00 0.00 WT0 H +ATOM 10145 OH2 TIP3 7503 14.234 16.042 -3.989 0.00 0.00 WT0 O +ATOM 10146 H1 TIP3 7503 13.334 15.882 -3.729 0.00 0.00 WT0 H +ATOM 10147 H2 TIP3 7503 14.334 15.582 -4.819 0.00 0.00 WT0 H +ATOM 10148 OH2 TIP3 7504 16.166 -21.837 23.572 0.00 0.00 WT0 O +ATOM 10149 H1 TIP3 7504 17.076 -21.587 23.402 0.00 0.00 WT0 H +ATOM 10150 H2 TIP3 7504 15.796 -21.117 24.082 0.00 0.00 WT0 H +ATOM 10151 OH2 TIP3 7506 20.011 2.406 0.597 0.00 0.00 WT0 O +ATOM 10152 H1 TIP3 7506 20.451 2.046 -0.163 0.00 0.00 WT0 H +ATOM 10153 H2 TIP3 7506 20.141 1.756 1.287 0.00 0.00 WT0 H +ATOM 10154 OH2 TIP3 7508 12.560 8.404 -6.259 0.00 0.00 WT0 O +ATOM 10155 H1 TIP3 7508 13.210 8.154 -5.599 0.00 0.00 WT0 H +ATOM 10156 H2 TIP3 7508 11.730 8.104 -5.889 0.00 0.00 WT0 H +ATOM 10157 OH2 TIP3 7510 0.388 -19.069 -4.411 0.00 0.00 WT0 O +ATOM 10158 H1 TIP3 7510 0.918 -18.269 -4.401 0.00 0.00 WT0 H +ATOM 10159 H2 TIP3 7510 0.838 -19.649 -5.021 0.00 0.00 WT0 H +ATOM 10160 OH2 TIP3 7525 -1.141 16.124 -4.716 0.00 0.00 WT0 O +ATOM 10161 H1 TIP3 7525 -0.981 15.644 -3.906 0.00 0.00 WT0 H +ATOM 10162 H2 TIP3 7525 -1.061 17.044 -4.476 0.00 0.00 WT0 H +ATOM 10163 OH2 TIP3 7527 13.895 19.315 -13.288 0.00 0.00 WT0 O +ATOM 10164 H1 TIP3 7527 14.045 19.085 -14.208 0.00 0.00 WT0 H +ATOM 10165 H2 TIP3 7527 14.065 20.255 -13.248 0.00 0.00 WT0 H +ATOM 10166 OH2 TIP3 7529 -12.816 -12.096 -21.432 0.00 0.00 WT0 O +ATOM 10167 H1 TIP3 7529 -13.016 -12.496 -20.582 0.00 0.00 WT0 H +ATOM 10168 H2 TIP3 7529 -12.506 -11.216 -21.222 0.00 0.00 WT0 H +ATOM 10169 OH2 TIP3 7532 -22.016 -15.341 13.202 0.00 0.00 WT0 O +ATOM 10170 H1 TIP3 7532 -22.126 -14.891 14.042 0.00 0.00 WT0 H +ATOM 10171 H2 TIP3 7532 -21.146 -15.741 13.252 0.00 0.00 WT0 H +ATOM 10172 OH2 TIP3 7544 6.089 -22.383 -0.036 0.00 0.00 WT0 O +ATOM 10173 H1 TIP3 7544 5.799 -22.983 -0.716 0.00 0.00 WT0 H +ATOM 10174 H2 TIP3 7544 6.119 -21.523 -0.466 0.00 0.00 WT0 H +ATOM 10175 OH2 TIP3 7545 -16.919 14.588 -10.726 0.00 0.00 WT0 O +ATOM 10176 H1 TIP3 7545 -16.079 14.278 -11.056 0.00 0.00 WT0 H +ATOM 10177 H2 TIP3 7545 -16.989 15.488 -11.036 0.00 0.00 WT0 H +ATOM 10178 OH2 TIP3 7546 -20.625 12.392 -9.408 0.00 0.00 WT0 O +ATOM 10179 H1 TIP3 7546 -21.415 12.452 -8.878 0.00 0.00 WT0 H +ATOM 10180 H2 TIP3 7546 -20.815 12.922 -10.188 0.00 0.00 WT0 H +ATOM 10181 OH2 TIP3 7557 7.195 23.093 13.229 0.00 0.00 WT0 O +ATOM 10182 H1 TIP3 7557 7.955 22.563 13.459 0.00 0.00 WT0 H +ATOM 10183 H2 TIP3 7557 6.445 22.563 13.519 0.00 0.00 WT0 H +ATOM 10184 OH2 TIP3 7563 0.005 15.483 11.846 0.00 0.00 WT0 O +ATOM 10185 H1 TIP3 7563 0.625 15.673 11.146 0.00 0.00 WT0 H +ATOM 10186 H2 TIP3 7563 -0.575 16.243 11.866 0.00 0.00 WT0 H +ATOM 10187 OH2 TIP3 7568 16.006 11.855 -21.478 0.00 0.00 WT0 O +ATOM 10188 H1 TIP3 7568 16.766 12.395 -21.708 0.00 0.00 WT0 H +ATOM 10189 H2 TIP3 7568 15.526 11.745 -22.298 0.00 0.00 WT0 H +ATOM 10190 OH2 TIP3 7572 16.230 16.514 -14.338 0.00 0.00 WT0 O +ATOM 10191 H1 TIP3 7572 16.760 16.114 -15.028 0.00 0.00 WT0 H +ATOM 10192 H2 TIP3 7572 16.110 15.824 -13.688 0.00 0.00 WT0 H +ATOM 10193 OH2 TIP3 7576 4.301 -2.311 21.282 0.00 0.00 WT0 O +ATOM 10194 H1 TIP3 7576 4.341 -1.411 20.952 0.00 0.00 WT0 H +ATOM 10195 H2 TIP3 7576 5.221 -2.571 21.372 0.00 0.00 WT0 H +ATOM 10196 OH2 TIP3 7578 -10.027 -8.101 20.116 0.00 0.00 WT0 O +ATOM 10197 H1 TIP3 7578 -9.177 -7.711 20.296 0.00 0.00 WT0 H +ATOM 10198 H2 TIP3 7578 -10.607 -7.361 19.956 0.00 0.00 WT0 H +ATOM 10199 OH2 TIP3 7590 21.475 18.142 17.819 0.00 0.00 WT0 O +ATOM 10200 H1 TIP3 7590 21.985 17.712 18.509 0.00 0.00 WT0 H +ATOM 10201 H2 TIP3 7590 20.785 18.602 18.299 0.00 0.00 WT0 H +ATOM 10202 OH2 TIP3 7591 15.694 -7.929 -3.065 0.00 0.00 WT0 O +ATOM 10203 H1 TIP3 7591 16.504 -7.739 -3.535 0.00 0.00 WT0 H +ATOM 10204 H2 TIP3 7591 15.924 -8.669 -2.495 0.00 0.00 WT0 H +ATOM 10205 OH2 TIP3 7592 -3.783 -9.892 10.162 0.00 0.00 WT0 O +ATOM 10206 H1 TIP3 7592 -3.863 -10.812 9.912 0.00 0.00 WT0 H +ATOM 10207 H2 TIP3 7592 -3.223 -9.902 10.942 0.00 0.00 WT0 H +ATOM 10208 OH2 TIP3 7595 -23.236 12.609 -21.761 0.00 0.00 WT0 O +ATOM 10209 H1 TIP3 7595 -22.546 12.849 -22.391 0.00 0.00 WT0 H +ATOM 10210 H2 TIP3 7595 -23.346 11.669 -21.881 0.00 0.00 WT0 H +ATOM 10211 OH2 TIP3 7596 21.165 -10.431 1.422 0.00 0.00 WT0 O +ATOM 10212 H1 TIP3 7596 21.915 -10.981 1.182 0.00 0.00 WT0 H +ATOM 10213 H2 TIP3 7596 21.245 -9.671 0.852 0.00 0.00 WT0 H +ATOM 10214 OH2 TIP3 7597 17.654 19.523 -7.373 0.00 0.00 WT0 O +ATOM 10215 H1 TIP3 7597 17.844 18.703 -7.823 0.00 0.00 WT0 H +ATOM 10216 H2 TIP3 7597 16.854 19.853 -7.793 0.00 0.00 WT0 H +ATOM 10217 OH2 TIP3 7603 14.980 10.031 -16.492 0.00 0.00 WT0 O +ATOM 10218 H1 TIP3 7603 15.030 10.971 -16.332 0.00 0.00 WT0 H +ATOM 10219 H2 TIP3 7603 14.060 9.871 -16.702 0.00 0.00 WT0 H +ATOM 10220 OH2 TIP3 7605 7.551 -12.579 -17.951 0.00 0.00 WT0 O +ATOM 10221 H1 TIP3 7605 7.181 -12.179 -18.741 0.00 0.00 WT0 H +ATOM 10222 H2 TIP3 7605 7.221 -13.479 -17.961 0.00 0.00 WT0 H +ATOM 10223 OH2 TIP3 7614 -2.842 -13.858 10.032 0.00 0.00 WT0 O +ATOM 10224 H1 TIP3 7614 -3.322 -13.498 9.292 0.00 0.00 WT0 H +ATOM 10225 H2 TIP3 7614 -2.032 -13.358 10.062 0.00 0.00 WT0 H +ATOM 10226 OH2 TIP3 7617 18.497 20.398 -5.141 0.00 0.00 WT0 O +ATOM 10227 H1 TIP3 7617 18.107 19.998 -5.921 0.00 0.00 WT0 H +ATOM 10228 H2 TIP3 7617 19.017 21.128 -5.491 0.00 0.00 WT0 H +ATOM 10229 OH2 TIP3 7627 14.778 -20.565 -14.469 0.00 0.00 WT0 O +ATOM 10230 H1 TIP3 7627 15.508 -21.185 -14.429 0.00 0.00 WT0 H +ATOM 10231 H2 TIP3 7627 15.188 -19.705 -14.439 0.00 0.00 WT0 H +ATOM 10232 OH2 TIP3 7630 -20.521 3.376 11.965 0.00 0.00 WT0 O +ATOM 10233 H1 TIP3 7630 -19.971 4.156 11.975 0.00 0.00 WT0 H +ATOM 10234 H2 TIP3 7630 -20.131 2.796 12.625 0.00 0.00 WT0 H +ATOM 10235 OH2 TIP3 7631 -7.861 -5.450 -22.676 0.00 0.00 WT0 O +ATOM 10236 H1 TIP3 7631 -7.361 -4.670 -22.426 0.00 0.00 WT0 H +ATOM 10237 H2 TIP3 7631 -7.701 -6.080 -21.966 0.00 0.00 WT0 H +ATOM 10238 OH2 TIP3 7634 15.179 10.765 -3.941 0.00 0.00 WT0 O +ATOM 10239 H1 TIP3 7634 14.479 10.815 -3.281 0.00 0.00 WT0 H +ATOM 10240 H2 TIP3 7634 15.869 11.325 -3.601 0.00 0.00 WT0 H +ATOM 10241 OH2 TIP3 7635 -0.059 20.722 21.959 0.00 0.00 WT0 O +ATOM 10242 H1 TIP3 7635 -0.059 21.632 22.239 0.00 0.00 WT0 H +ATOM 10243 H2 TIP3 7635 -0.459 20.232 22.679 0.00 0.00 WT0 H +ATOM 10244 OH2 TIP3 7638 -20.709 3.893 -16.518 0.00 0.00 WT0 O +ATOM 10245 H1 TIP3 7638 -21.189 3.303 -17.108 0.00 0.00 WT0 H +ATOM 10246 H2 TIP3 7638 -21.219 3.903 -15.718 0.00 0.00 WT0 H +ATOM 10247 OH2 TIP3 7641 -13.627 21.353 -3.987 0.00 0.00 WT0 O +ATOM 10248 H1 TIP3 7641 -13.847 22.283 -3.967 0.00 0.00 WT0 H +ATOM 10249 H2 TIP3 7641 -13.267 21.213 -4.867 0.00 0.00 WT0 H +ATOM 10250 OH2 TIP3 7643 -13.055 13.365 -19.848 0.00 0.00 WT0 O +ATOM 10251 H1 TIP3 7643 -12.335 13.525 -20.448 0.00 0.00 WT0 H +ATOM 10252 H2 TIP3 7643 -13.615 12.725 -20.298 0.00 0.00 WT0 H +ATOM 10253 OH2 TIP3 7644 -7.692 19.106 20.266 0.00 0.00 WT0 O +ATOM 10254 H1 TIP3 7644 -7.262 18.636 19.546 0.00 0.00 WT0 H +ATOM 10255 H2 TIP3 7644 -8.032 18.416 20.836 0.00 0.00 WT0 H +ATOM 10256 OH2 TIP3 7645 16.684 -11.034 6.925 0.00 0.00 WT0 O +ATOM 10257 H1 TIP3 7645 16.744 -11.714 6.255 0.00 0.00 WT0 H +ATOM 10258 H2 TIP3 7645 17.434 -11.204 7.505 0.00 0.00 WT0 H +ATOM 10259 OH2 TIP3 7647 -18.112 -13.040 -19.770 0.00 0.00 WT0 O +ATOM 10260 H1 TIP3 7647 -17.572 -13.470 -19.110 0.00 0.00 WT0 H +ATOM 10261 H2 TIP3 7647 -17.692 -13.260 -20.610 0.00 0.00 WT0 H +ATOM 10262 OH2 TIP3 7648 17.779 -23.751 -2.679 0.00 0.00 WT0 O +ATOM 10263 H1 TIP3 7648 16.919 -23.451 -2.379 0.00 0.00 WT0 H +ATOM 10264 H2 TIP3 7648 17.699 -24.701 -2.749 0.00 0.00 WT0 H +ATOM 10265 OH2 TIP3 7650 4.316 -24.316 -12.061 0.00 0.00 WT0 O +ATOM 10266 H1 TIP3 7650 4.356 -24.276 -13.011 0.00 0.00 WT0 H +ATOM 10267 H2 TIP3 7650 4.066 -23.426 -11.801 0.00 0.00 WT0 H +ATOM 10268 OH2 TIP3 7651 -12.715 20.584 -12.871 0.00 0.00 WT0 O +ATOM 10269 H1 TIP3 7651 -13.025 19.864 -13.421 0.00 0.00 WT0 H +ATOM 10270 H2 TIP3 7651 -13.275 21.324 -13.101 0.00 0.00 WT0 H +ATOM 10271 OH2 TIP3 7661 14.245 17.545 17.542 0.00 0.00 WT0 O +ATOM 10272 H1 TIP3 7661 14.715 18.325 17.242 0.00 0.00 WT0 H +ATOM 10273 H2 TIP3 7661 13.395 17.595 17.102 0.00 0.00 WT0 H +ATOM 10274 OH2 TIP3 7668 16.528 -19.024 9.156 0.00 0.00 WT0 O +ATOM 10275 H1 TIP3 7668 16.908 -19.424 9.936 0.00 0.00 WT0 H +ATOM 10276 H2 TIP3 7668 16.158 -18.204 9.476 0.00 0.00 WT0 H +ATOM 10277 OH2 TIP3 7670 -1.582 16.480 -19.915 0.00 0.00 WT0 O +ATOM 10278 H1 TIP3 7670 -1.082 16.270 -19.125 0.00 0.00 WT0 H +ATOM 10279 H2 TIP3 7670 -2.422 16.790 -19.595 0.00 0.00 WT0 H +ATOM 10280 OH2 TIP3 7675 14.927 6.073 4.238 0.00 0.00 WT0 O +ATOM 10281 H1 TIP3 7675 15.117 5.303 4.768 0.00 0.00 WT0 H +ATOM 10282 H2 TIP3 7675 13.977 6.063 4.128 0.00 0.00 WT0 H +ATOM 10283 OH2 TIP3 7676 5.835 23.826 -6.042 0.00 0.00 WT0 O +ATOM 10284 H1 TIP3 7676 5.345 24.186 -6.782 0.00 0.00 WT0 H +ATOM 10285 H2 TIP3 7676 6.425 24.536 -5.772 0.00 0.00 WT0 H +ATOM 10286 OH2 TIP3 7677 10.870 -23.822 -13.031 0.00 0.00 WT0 O +ATOM 10287 H1 TIP3 7677 11.470 -23.092 -13.201 0.00 0.00 WT0 H +ATOM 10288 H2 TIP3 7677 11.410 -24.462 -12.571 0.00 0.00 WT0 H +ATOM 10289 OH2 TIP3 7679 -15.904 -24.282 11.791 0.00 0.00 WT0 O +ATOM 10290 H1 TIP3 7679 -16.624 -23.682 11.571 0.00 0.00 WT0 H +ATOM 10291 H2 TIP3 7679 -15.924 -24.942 11.091 0.00 0.00 WT0 H +ATOM 10292 OH2 TIP3 7681 -25.239 -0.794 -18.805 0.00 0.00 WT0 O +ATOM 10293 H1 TIP3 7681 -24.539 -0.274 -18.405 0.00 0.00 WT0 H +ATOM 10294 H2 TIP3 7681 -25.259 -1.604 -18.295 0.00 0.00 WT0 H +ATOM 10295 OH2 TIP3 7682 -23.265 2.218 -0.648 0.00 0.00 WT0 O +ATOM 10296 H1 TIP3 7682 -23.365 2.428 0.272 0.00 0.00 WT0 H +ATOM 10297 H2 TIP3 7682 -23.565 2.998 -1.108 0.00 0.00 WT0 H +ATOM 10298 OH2 TIP3 7689 22.492 -10.938 12.031 0.00 0.00 WT0 O +ATOM 10299 H1 TIP3 7689 22.111 -10.108 12.311 0.00 0.00 WT0 H +ATOM 10300 H2 TIP3 7689 21.882 -11.598 12.341 0.00 0.00 WT0 H +ATOM 10301 OH2 TIP3 7690 10.849 0.455 18.950 0.00 0.00 WT0 O +ATOM 10302 H1 TIP3 7690 10.289 1.245 18.900 0.00 0.00 WT0 H +ATOM 10303 H2 TIP3 7690 11.679 0.725 18.570 0.00 0.00 WT0 H +ATOM 10304 OH2 TIP3 7692 -17.756 11.830 -11.666 0.00 0.00 WT0 O +ATOM 10305 H1 TIP3 7692 -18.246 12.410 -11.086 0.00 0.00 WT0 H +ATOM 10306 H2 TIP3 7692 -16.876 12.210 -11.696 0.00 0.00 WT0 H +ATOM 10307 OH2 TIP3 7693 -11.967 16.372 -2.502 0.00 0.00 WT0 O +ATOM 10308 H1 TIP3 7693 -11.727 15.482 -2.242 0.00 0.00 WT0 H +ATOM 10309 H2 TIP3 7693 -12.587 16.662 -1.842 0.00 0.00 WT0 H +ATOM 10310 OH2 TIP3 7695 -16.209 -1.966 9.116 0.00 0.00 WT0 O +ATOM 10311 H1 TIP3 7695 -15.809 -1.916 8.246 0.00 0.00 WT0 H +ATOM 10312 H2 TIP3 7695 -15.679 -2.626 9.576 0.00 0.00 WT0 H +ATOM 10313 OH2 TIP3 7697 22.751 -0.179 17.489 0.00 0.00 WT0 O +ATOM 10314 H1 TIP3 7697 23.361 -0.919 17.469 0.00 0.00 WT0 H +ATOM 10315 H2 TIP3 7697 23.311 0.591 17.439 0.00 0.00 WT0 H +ATOM 10316 OH2 TIP3 7698 -22.524 -8.265 23.499 0.00 0.00 WT0 O +ATOM 10317 H1 TIP3 7698 -21.994 -8.255 24.289 0.00 0.00 WT0 H +ATOM 10318 H2 TIP3 7698 -22.034 -8.825 22.889 0.00 0.00 WT0 H +ATOM 10319 OH2 TIP3 7700 -20.001 23.613 8.419 0.00 0.00 WT0 O +ATOM 10320 H1 TIP3 7700 -19.101 23.333 8.549 0.00 0.00 WT0 H +ATOM 10321 H2 TIP3 7700 -20.221 23.353 7.529 0.00 0.00 WT0 H +ATOM 10322 OH2 TIP3 7702 20.776 -10.228 -17.283 0.00 0.00 WT0 O +ATOM 10323 H1 TIP3 7702 19.926 -10.538 -17.613 0.00 0.00 WT0 H +ATOM 10324 H2 TIP3 7702 21.216 -9.888 -18.053 0.00 0.00 WT0 H +ATOM 10325 OH2 TIP3 7705 24.768 -7.507 13.819 0.00 0.00 WT0 O +ATOM 10326 H1 TIP3 7705 24.828 -6.647 13.399 0.00 0.00 WT0 H +ATOM 10327 H2 TIP3 7705 24.918 -7.327 14.749 0.00 0.00 WT0 H +ATOM 10328 OH2 TIP3 7707 12.197 -2.309 -4.753 0.00 0.00 WT0 O +ATOM 10329 H1 TIP3 7707 11.837 -3.189 -4.613 0.00 0.00 WT0 H +ATOM 10330 H2 TIP3 7707 11.717 -1.969 -5.513 0.00 0.00 WT0 H +ATOM 10331 OH2 TIP3 7711 11.844 7.133 11.772 0.00 0.00 WT0 O +ATOM 10332 H1 TIP3 7711 11.234 6.623 11.232 0.00 0.00 WT0 H +ATOM 10333 H2 TIP3 7711 11.554 6.953 12.672 0.00 0.00 WT0 H +ATOM 10334 OH2 TIP3 7712 -11.873 8.312 21.816 0.00 0.00 WT0 O +ATOM 10335 H1 TIP3 7712 -12.303 8.972 21.276 0.00 0.00 WT0 H +ATOM 10336 H2 TIP3 7712 -11.023 8.692 22.036 0.00 0.00 WT0 H +ATOM 10337 OH2 TIP3 7713 7.973 -15.027 7.902 0.00 0.00 WT0 O +ATOM 10338 H1 TIP3 7713 7.333 -15.137 7.202 0.00 0.00 WT0 H +ATOM 10339 H2 TIP3 7713 8.743 -14.677 7.472 0.00 0.00 WT0 H +ATOM 10340 OH2 TIP3 7714 -4.192 10.497 -5.643 0.00 0.00 WT0 O +ATOM 10341 H1 TIP3 7714 -3.882 10.677 -4.753 0.00 0.00 WT0 H +ATOM 10342 H2 TIP3 7714 -3.392 10.367 -6.143 0.00 0.00 WT0 H +ATOM 10343 OH2 TIP3 7715 -12.583 -1.082 -15.634 0.00 0.00 WT0 O +ATOM 10344 H1 TIP3 7715 -11.933 -0.372 -15.574 0.00 0.00 WT0 H +ATOM 10345 H2 TIP3 7715 -12.833 -1.262 -14.734 0.00 0.00 WT0 H +ATOM 10346 OH2 TIP3 7716 22.101 19.122 12.596 0.00 0.00 WT0 O +ATOM 10347 H1 TIP3 7716 21.371 19.742 12.596 0.00 0.00 WT0 H +ATOM 10348 H2 TIP3 7716 22.201 18.872 13.516 0.00 0.00 WT0 H +ATOM 10349 OH2 TIP3 7721 -20.769 6.811 -8.994 0.00 0.00 WT0 O +ATOM 10350 H1 TIP3 7721 -21.659 6.871 -8.634 0.00 0.00 WT0 H +ATOM 10351 H2 TIP3 7721 -20.839 6.181 -9.704 0.00 0.00 WT0 H +ATOM 10352 OH2 TIP3 7732 13.747 12.192 0.296 0.00 0.00 WT0 O +ATOM 10353 H1 TIP3 7732 12.847 12.442 0.466 0.00 0.00 WT0 H +ATOM 10354 H2 TIP3 7732 14.217 13.022 0.216 0.00 0.00 WT0 H +ATOM 10355 OH2 TIP3 7733 24.737 16.230 14.150 0.00 0.00 WT0 O +ATOM 10356 H1 TIP3 7733 24.857 15.530 13.520 0.00 0.00 WT0 H +ATOM 10357 H2 TIP3 7733 25.087 17.010 13.720 0.00 0.00 WT0 H +ATOM 10358 OH2 TIP3 7736 -24.770 -8.165 -11.051 0.00 0.00 WT0 O +ATOM 10359 H1 TIP3 7736 -25.640 -7.865 -11.301 0.00 0.00 WT0 H +ATOM 10360 H2 TIP3 7736 -24.380 -8.495 -11.861 0.00 0.00 WT0 H +ATOM 10361 OH2 TIP3 7737 -18.592 12.682 4.524 0.00 0.00 WT0 O +ATOM 10362 H1 TIP3 7737 -17.672 12.892 4.674 0.00 0.00 WT0 H +ATOM 10363 H2 TIP3 7737 -18.852 12.162 5.284 0.00 0.00 WT0 H +ATOM 10364 OH2 TIP3 7739 -22.796 -4.850 -15.614 0.00 0.00 WT0 O +ATOM 10365 H1 TIP3 7739 -21.996 -5.260 -15.954 0.00 0.00 WT0 H +ATOM 10366 H2 TIP3 7739 -23.386 -5.590 -15.454 0.00 0.00 WT0 H +ATOM 10367 OH2 TIP3 7748 -9.239 -17.344 -6.733 0.00 0.00 WT0 O +ATOM 10368 H1 TIP3 7748 -9.889 -18.044 -6.833 0.00 0.00 WT0 H +ATOM 10369 H2 TIP3 7748 -8.789 -17.554 -5.913 0.00 0.00 WT0 H +ATOM 10370 OH2 TIP3 7750 16.359 -2.390 -23.431 0.00 0.00 WT0 O +ATOM 10371 H1 TIP3 7750 17.179 -2.100 -23.831 0.00 0.00 WT0 H +ATOM 10372 H2 TIP3 7750 16.419 -2.090 -22.531 0.00 0.00 WT0 H +ATOM 10373 OH2 TIP3 7752 -7.684 11.722 0.358 0.00 0.00 WT0 O +ATOM 10374 H1 TIP3 7752 -6.924 11.672 -0.222 0.00 0.00 WT0 H +ATOM 10375 H2 TIP3 7752 -8.184 12.472 0.038 0.00 0.00 WT0 H +ATOM 10376 OH2 TIP3 7753 1.783 5.794 -8.895 0.00 0.00 WT0 O +ATOM 10377 H1 TIP3 7753 0.923 5.964 -8.515 0.00 0.00 WT0 H +ATOM 10378 H2 TIP3 7753 1.663 5.004 -9.405 0.00 0.00 WT0 H +ATOM 10379 OH2 TIP3 7754 -17.209 -19.609 -3.595 0.00 0.00 WT0 O +ATOM 10380 H1 TIP3 7754 -17.049 -18.699 -3.365 0.00 0.00 WT0 H +ATOM 10381 H2 TIP3 7754 -18.159 -19.699 -3.555 0.00 0.00 WT0 H +ATOM 10382 OH2 TIP3 7755 11.956 12.964 7.132 0.00 0.00 WT0 O +ATOM 10383 H1 TIP3 7755 11.666 12.684 8.002 0.00 0.00 WT0 H +ATOM 10384 H2 TIP3 7755 11.366 12.514 6.522 0.00 0.00 WT0 H +ATOM 10385 OH2 TIP3 7756 -18.442 -4.185 -12.528 0.00 0.00 WT0 O +ATOM 10386 H1 TIP3 7756 -17.802 -3.685 -13.038 0.00 0.00 WT0 H +ATOM 10387 H2 TIP3 7756 -18.282 -3.915 -11.628 0.00 0.00 WT0 H +ATOM 10388 OH2 TIP3 7762 -12.206 -3.094 -9.208 0.00 0.00 WT0 O +ATOM 10389 H1 TIP3 7762 -12.896 -2.514 -8.878 0.00 0.00 WT0 H +ATOM 10390 H2 TIP3 7762 -12.666 -3.844 -9.558 0.00 0.00 WT0 H +ATOM 10391 OH2 TIP3 7773 10.132 11.673 5.506 0.00 0.00 WT0 O +ATOM 10392 H1 TIP3 7773 9.451 12.283 5.216 0.00 0.00 WT0 H +ATOM 10393 H2 TIP3 7773 9.691 10.813 5.506 0.00 0.00 WT0 H +ATOM 10394 OH2 TIP3 7784 -15.064 2.951 16.467 0.00 0.00 WT0 O +ATOM 10395 H1 TIP3 7784 -15.744 3.421 15.987 0.00 0.00 WT0 H +ATOM 10396 H2 TIP3 7784 -15.004 3.411 17.297 0.00 0.00 WT0 H +ATOM 10397 OH2 TIP3 7790 -0.461 -16.762 11.491 0.00 0.00 WT0 O +ATOM 10398 H1 TIP3 7790 -0.731 -16.942 10.591 0.00 0.00 WT0 H +ATOM 10399 H2 TIP3 7790 -1.261 -16.532 11.941 0.00 0.00 WT0 H +ATOM 10400 OH2 TIP3 7791 -18.961 -2.287 -9.201 0.00 0.00 WT0 O +ATOM 10401 H1 TIP3 7791 -18.841 -2.367 -8.251 0.00 0.00 WT0 H +ATOM 10402 H2 TIP3 7791 -18.081 -2.367 -9.561 0.00 0.00 WT0 H +ATOM 10403 OH2 TIP3 7793 17.846 9.911 10.285 0.00 0.00 WT0 O +ATOM 10404 H1 TIP3 7793 18.006 8.971 10.295 0.00 0.00 WT0 H +ATOM 10405 H2 TIP3 7793 16.936 10.001 10.005 0.00 0.00 WT0 H +ATOM 10406 OH2 TIP3 7798 -2.010 21.067 12.179 0.00 0.00 WT0 O +ATOM 10407 H1 TIP3 7798 -2.260 20.407 12.829 0.00 0.00 WT0 H +ATOM 10408 H2 TIP3 7798 -2.740 21.687 12.169 0.00 0.00 WT0 H +ATOM 10409 OH2 TIP3 7800 -22.147 6.232 16.747 0.00 0.00 WT0 O +ATOM 10410 H1 TIP3 7800 -21.937 6.512 15.857 0.00 0.00 WT0 H +ATOM 10411 H2 TIP3 7800 -22.977 5.752 16.657 0.00 0.00 WT0 H +ATOM 10412 OH2 TIP3 7802 2.195 -21.326 22.648 0.00 0.00 WT0 O +ATOM 10413 H1 TIP3 7802 1.335 -20.926 22.528 0.00 0.00 WT0 H +ATOM 10414 H2 TIP3 7802 2.135 -21.766 23.488 0.00 0.00 WT0 H +ATOM 10415 OH2 TIP3 7804 -20.750 3.133 0.819 0.00 0.00 WT0 O +ATOM 10416 H1 TIP3 7804 -20.780 3.793 0.129 0.00 0.00 WT0 H +ATOM 10417 H2 TIP3 7804 -21.090 3.573 1.589 0.00 0.00 WT0 H +ATOM 10418 OH2 TIP3 7811 23.999 6.813 1.678 0.00 0.00 WT0 O +ATOM 10419 H1 TIP3 7811 24.839 6.643 1.258 0.00 0.00 WT0 H +ATOM 10420 H2 TIP3 7811 23.349 6.463 1.078 0.00 0.00 WT0 H +ATOM 10421 OH2 TIP3 7818 -24.515 -23.740 13.371 0.00 0.00 WT0 O +ATOM 10422 H1 TIP3 7818 -24.145 -23.800 12.501 0.00 0.00 WT0 H +ATOM 10423 H2 TIP3 7818 -25.405 -24.080 13.281 0.00 0.00 WT0 H +ATOM 10424 OH2 TIP3 7820 -4.716 -12.036 -8.618 0.00 0.00 WT0 O +ATOM 10425 H1 TIP3 7820 -4.916 -11.126 -8.388 0.00 0.00 WT0 H +ATOM 10426 H2 TIP3 7820 -4.136 -12.326 -7.908 0.00 0.00 WT0 H +ATOM 10427 OH2 TIP3 7822 20.191 9.635 17.796 0.00 0.00 WT0 O +ATOM 10428 H1 TIP3 7822 20.571 10.425 17.406 0.00 0.00 WT0 H +ATOM 10429 H2 TIP3 7822 20.001 9.075 17.046 0.00 0.00 WT0 H +ATOM 10430 OH2 TIP3 7825 17.995 6.484 -17.530 0.00 0.00 WT0 O +ATOM 10431 H1 TIP3 7825 17.575 7.214 -17.090 0.00 0.00 WT0 H +ATOM 10432 H2 TIP3 7825 18.915 6.744 -17.600 0.00 0.00 WT0 H +ATOM 10433 OH2 TIP3 7833 10.788 8.220 4.623 0.00 0.00 WT0 O +ATOM 10434 H1 TIP3 7833 10.988 7.970 3.723 0.00 0.00 WT0 H +ATOM 10435 H2 TIP3 7833 11.088 7.480 5.143 0.00 0.00 WT0 H +ATOM 10436 OH2 TIP3 7844 -21.479 13.412 4.962 0.00 0.00 WT0 O +ATOM 10437 H1 TIP3 7844 -21.169 13.212 5.842 0.00 0.00 WT0 H +ATOM 10438 H2 TIP3 7844 -20.899 12.922 4.382 0.00 0.00 WT0 H +ATOM 10439 OH2 TIP3 7847 -8.143 -24.675 19.447 0.00 0.00 WT0 O +ATOM 10440 H1 TIP3 7847 -9.073 -24.675 19.637 0.00 0.00 WT0 H +ATOM 10441 H2 TIP3 7847 -7.953 -25.575 19.167 0.00 0.00 WT0 H +ATOM 10442 OH2 TIP3 7848 2.439 -24.788 -16.706 0.00 0.00 WT0 O +ATOM 10443 H1 TIP3 7848 1.629 -24.298 -16.516 0.00 0.00 WT0 H +ATOM 10444 H2 TIP3 7848 2.489 -25.448 -16.026 0.00 0.00 WT0 H +ATOM 10445 OH2 TIP3 7853 -3.201 -10.790 -0.314 0.00 0.00 WT0 O +ATOM 10446 H1 TIP3 7853 -3.091 -10.420 0.566 0.00 0.00 WT0 H +ATOM 10447 H2 TIP3 7853 -2.751 -11.630 -0.274 0.00 0.00 WT0 H +ATOM 10448 OH2 TIP3 7859 18.050 15.975 1.759 0.00 0.00 WT0 O +ATOM 10449 H1 TIP3 7859 18.180 15.495 2.569 0.00 0.00 WT0 H +ATOM 10450 H2 TIP3 7859 17.950 16.885 2.029 0.00 0.00 WT0 H +ATOM 10451 OH2 TIP3 7860 0.236 21.986 18.319 0.00 0.00 WT0 O +ATOM 10452 H1 TIP3 7860 0.986 22.176 18.889 0.00 0.00 WT0 H +ATOM 10453 H2 TIP3 7860 0.346 21.066 18.079 0.00 0.00 WT0 H +ATOM 10454 OH2 TIP3 7873 23.531 2.133 12.882 0.00 0.00 WT0 O +ATOM 10455 H1 TIP3 7873 23.271 2.753 13.562 0.00 0.00 WT0 H +ATOM 10456 H2 TIP3 7873 23.421 1.273 13.282 0.00 0.00 WT0 H +ATOM 10457 OH2 TIP3 7896 22.990 -12.011 -15.280 0.00 0.00 WT0 O +ATOM 10458 H1 TIP3 7896 23.170 -11.451 -16.030 0.00 0.00 WT0 H +ATOM 10459 H2 TIP3 7896 22.510 -12.761 -15.640 0.00 0.00 WT0 H +ATOM 10460 OH2 TIP3 7904 21.079 18.561 1.296 0.00 0.00 WT0 O +ATOM 10461 H1 TIP3 7904 21.689 19.271 1.506 0.00 0.00 WT0 H +ATOM 10462 H2 TIP3 7904 21.489 17.781 1.656 0.00 0.00 WT0 H +ATOM 10463 OH2 TIP3 7922 3.524 22.364 7.446 0.00 0.00 WT0 O +ATOM 10464 H1 TIP3 7922 4.414 22.094 7.686 0.00 0.00 WT0 H +ATOM 10465 H2 TIP3 7922 3.644 22.874 6.646 0.00 0.00 WT0 H +ATOM 10466 OH2 TIP3 7923 24.245 20.045 -21.353 0.00 0.00 WT0 O +ATOM 10467 H1 TIP3 7923 24.095 19.795 -20.443 0.00 0.00 WT0 H +ATOM 10468 H2 TIP3 7923 25.185 20.215 -21.413 0.00 0.00 WT0 H +ATOM 10469 OH2 TIP3 7945 2.420 20.621 10.026 0.00 0.00 WT0 O +ATOM 10470 H1 TIP3 7945 1.490 20.811 10.156 0.00 0.00 WT0 H +ATOM 10471 H2 TIP3 7945 2.790 21.431 9.666 0.00 0.00 WT0 H +ATOM 10472 OH2 TIP3 7947 6.950 14.872 -2.866 0.00 0.00 WT0 O +ATOM 10473 H1 TIP3 7947 6.480 15.142 -2.086 0.00 0.00 WT0 H +ATOM 10474 H2 TIP3 7947 6.280 14.802 -3.546 0.00 0.00 WT0 H +ATOM 10475 OH2 TIP3 7950 9.294 6.092 -15.743 0.00 0.00 WT0 O +ATOM 10476 H1 TIP3 7950 9.904 6.822 -15.813 0.00 0.00 WT0 H +ATOM 10477 H2 TIP3 7950 9.644 5.422 -16.333 0.00 0.00 WT0 H +ATOM 10478 OH2 TIP3 7951 22.234 21.354 -25.328 0.00 0.00 WT0 O +ATOM 10479 H1 TIP3 7951 22.814 21.814 -24.718 0.00 0.00 WT0 H +ATOM 10480 H2 TIP3 7951 22.704 20.554 -25.548 0.00 0.00 WT0 H +ATOM 10481 OH2 TIP3 7967 1.526 -3.241 -10.194 0.00 0.00 WT0 O +ATOM 10482 H1 TIP3 7967 1.826 -3.471 -11.074 0.00 0.00 WT0 H +ATOM 10483 H2 TIP3 7967 1.586 -2.291 -10.154 0.00 0.00 WT0 H +ATOM 10484 OH2 TIP3 7973 3.117 12.204 -13.298 0.00 0.00 WT0 O +ATOM 10485 H1 TIP3 7973 2.437 12.584 -12.728 0.00 0.00 WT0 H +ATOM 10486 H2 TIP3 7973 2.687 11.454 -13.718 0.00 0.00 WT0 H +ATOM 10487 OH2 TIP3 7983 22.007 7.764 3.749 0.00 0.00 WT0 O +ATOM 10488 H1 TIP3 7983 22.567 7.144 3.279 0.00 0.00 WT0 H +ATOM 10489 H2 TIP3 7983 22.277 8.624 3.419 0.00 0.00 WT0 H +ATOM 10490 OH2 TIP3 7985 5.463 12.983 -20.228 0.00 0.00 WT0 O +ATOM 10491 H1 TIP3 7985 5.153 12.083 -20.308 0.00 0.00 WT0 H +ATOM 10492 H2 TIP3 7985 6.403 12.893 -20.078 0.00 0.00 WT0 H +ATOM 10493 OH2 TIP3 7987 6.577 -14.408 -9.854 0.00 0.00 WT0 O +ATOM 10494 H1 TIP3 7987 7.367 -14.918 -9.664 0.00 0.00 WT0 H +ATOM 10495 H2 TIP3 7987 6.517 -14.428 -10.814 0.00 0.00 WT0 H +ATOM 10496 OH2 TIP3 7989 -16.265 7.894 -8.121 0.00 0.00 WT0 O +ATOM 10497 H1 TIP3 7989 -15.635 8.484 -7.711 0.00 0.00 WT0 H +ATOM 10498 H2 TIP3 7989 -17.115 8.314 -7.991 0.00 0.00 WT0 H +ATOM 10499 OH2 TIP3 7996 -20.136 7.711 10.219 0.00 0.00 WT0 O +ATOM 10500 H1 TIP3 7996 -19.736 6.841 10.209 0.00 0.00 WT0 H +ATOM 10501 H2 TIP3 7996 -20.126 7.991 9.309 0.00 0.00 WT0 H +ATOM 10502 OH2 TIP3 8007 -8.210 -11.382 -6.431 0.00 0.00 WT0 O +ATOM 10503 H1 TIP3 8007 -8.480 -12.012 -5.771 0.00 0.00 WT0 H +ATOM 10504 H2 TIP3 8007 -7.410 -10.992 -6.081 0.00 0.00 WT0 H +ATOM 10505 OH2 TIP3 8010 -17.056 6.423 14.328 0.00 0.00 WT0 O +ATOM 10506 H1 TIP3 8010 -17.576 6.133 15.078 0.00 0.00 WT0 H +ATOM 10507 H2 TIP3 8010 -17.006 5.643 13.758 0.00 0.00 WT0 H +ATOM 10508 OH2 TIP3 8013 -1.554 -21.889 9.572 0.00 0.00 WT0 O +ATOM 10509 H1 TIP3 8013 -1.074 -21.249 10.092 0.00 0.00 WT0 H +ATOM 10510 H2 TIP3 8013 -1.604 -22.669 10.142 0.00 0.00 WT0 H +ATOM 10511 OH2 TIP3 8014 2.156 -24.014 7.585 0.00 0.00 WT0 O +ATOM 10512 H1 TIP3 8014 2.166 -24.384 6.705 0.00 0.00 WT0 H +ATOM 10513 H2 TIP3 8014 1.996 -23.084 7.455 0.00 0.00 WT0 H +ATOM 10514 OH2 TIP3 8019 -19.277 -18.983 -12.941 0.00 0.00 WT0 O +ATOM 10515 H1 TIP3 8019 -20.117 -19.053 -12.481 0.00 0.00 WT0 H +ATOM 10516 H2 TIP3 8019 -19.197 -18.043 -13.141 0.00 0.00 WT0 H +ATOM 10517 OH2 TIP3 8023 -12.800 -16.571 -14.058 0.00 0.00 WT0 O +ATOM 10518 H1 TIP3 8023 -13.290 -16.161 -13.348 0.00 0.00 WT0 H +ATOM 10519 H2 TIP3 8023 -12.670 -15.871 -14.698 0.00 0.00 WT0 H +ATOM 10520 OH2 TIP3 8024 -22.144 -21.905 -4.057 0.00 0.00 WT0 O +ATOM 10521 H1 TIP3 8024 -22.984 -21.705 -4.467 0.00 0.00 WT0 H +ATOM 10522 H2 TIP3 8024 -21.604 -21.135 -4.227 0.00 0.00 WT0 H +ATOM 10523 OH2 TIP3 8027 20.580 -20.717 22.925 0.00 0.00 WT0 O +ATOM 10524 H1 TIP3 8027 20.280 -21.557 22.585 0.00 0.00 WT0 H +ATOM 10525 H2 TIP3 8027 21.520 -20.827 23.045 0.00 0.00 WT0 H +ATOM 10526 OH2 TIP3 8029 23.649 -4.268 13.907 0.00 0.00 WT0 O +ATOM 10527 H1 TIP3 8029 23.009 -4.838 13.477 0.00 0.00 WT0 H +ATOM 10528 H2 TIP3 8029 23.149 -3.468 14.107 0.00 0.00 WT0 H +ATOM 10529 OH2 TIP3 8030 -0.454 -18.244 14.290 0.00 0.00 WT0 O +ATOM 10530 H1 TIP3 8030 -0.824 -19.084 14.000 0.00 0.00 WT0 H +ATOM 10531 H2 TIP3 8030 -0.254 -17.784 13.470 0.00 0.00 WT0 H +ATOM 10532 OH2 TIP3 8034 20.688 20.719 22.255 0.00 0.00 WT0 O +ATOM 10533 H1 TIP3 8034 21.228 20.869 23.035 0.00 0.00 WT0 H +ATOM 10534 H2 TIP3 8034 21.018 19.889 21.895 0.00 0.00 WT0 H +ATOM 10535 OH2 TIP3 8041 -10.071 -24.207 -12.276 0.00 0.00 WT0 O +ATOM 10536 H1 TIP3 8041 -10.121 -24.607 -13.146 0.00 0.00 WT0 H +ATOM 10537 H2 TIP3 8041 -9.831 -23.297 -12.446 0.00 0.00 WT0 H +ATOM 10538 OH2 TIP3 8046 19.304 10.280 5.567 0.00 0.00 WT0 O +ATOM 10539 H1 TIP3 8046 19.254 9.380 5.887 0.00 0.00 WT0 H +ATOM 10540 H2 TIP3 8046 18.404 10.490 5.327 0.00 0.00 WT0 H +ATOM 10541 OH2 TIP3 8050 -22.177 15.298 -4.755 0.00 0.00 WT0 O +ATOM 10542 H1 TIP3 8050 -21.397 15.628 -4.315 0.00 0.00 WT0 H +ATOM 10543 H2 TIP3 8050 -21.857 14.598 -5.325 0.00 0.00 WT0 H +ATOM 10544 OH2 TIP3 8052 -22.023 -22.259 7.892 0.00 0.00 WT0 O +ATOM 10545 H1 TIP3 8052 -21.563 -22.869 7.312 0.00 0.00 WT0 H +ATOM 10546 H2 TIP3 8052 -22.943 -22.329 7.632 0.00 0.00 WT0 H +ATOM 10547 OH2 TIP3 8055 -22.132 17.981 18.482 0.00 0.00 WT0 O +ATOM 10548 H1 TIP3 8055 -22.942 18.281 18.912 0.00 0.00 WT0 H +ATOM 10549 H2 TIP3 8055 -21.622 17.591 19.192 0.00 0.00 WT0 H +ATOM 10550 OH2 TIP3 8058 15.526 11.040 -11.641 0.00 0.00 WT0 O +ATOM 10551 H1 TIP3 8058 16.456 11.030 -11.871 0.00 0.00 WT0 H +ATOM 10552 H2 TIP3 8058 15.336 10.130 -11.421 0.00 0.00 WT0 H +ATOM 10553 OH2 TIP3 8064 -12.843 -5.340 25.249 0.00 0.00 WT0 O +ATOM 10554 H1 TIP3 8064 -12.673 -5.770 24.419 0.00 0.00 WT0 H +ATOM 10555 H2 TIP3 8064 -11.973 -5.160 25.619 0.00 0.00 WT0 H +ATOM 10556 OH2 TIP3 8067 1.446 3.105 14.226 0.00 0.00 WT0 O +ATOM 10557 H1 TIP3 8067 1.686 3.315 15.136 0.00 0.00 WT0 H +ATOM 10558 H2 TIP3 8067 0.616 3.545 14.086 0.00 0.00 WT0 H +ATOM 10559 OH2 TIP3 8068 -12.515 16.864 8.414 0.00 0.00 WT0 O +ATOM 10560 H1 TIP3 8068 -12.805 17.504 9.074 0.00 0.00 WT0 H +ATOM 10561 H2 TIP3 8068 -11.585 17.054 8.304 0.00 0.00 WT0 H +ATOM 10562 OH2 TIP3 8070 5.251 16.092 -11.338 0.00 0.00 WT0 O +ATOM 10563 H1 TIP3 8070 4.581 16.212 -10.668 0.00 0.00 WT0 H +ATOM 10564 H2 TIP3 8070 6.031 16.512 -10.968 0.00 0.00 WT0 H +ATOM 10565 OH2 TIP3 8073 -11.351 -14.657 -21.214 0.00 0.00 WT0 O +ATOM 10566 H1 TIP3 8073 -11.581 -13.977 -20.584 0.00 0.00 WT0 H +ATOM 10567 H2 TIP3 8073 -10.971 -15.357 -20.684 0.00 0.00 WT0 H +ATOM 10568 OH2 TIP3 8076 8.720 22.470 17.329 0.00 0.00 WT0 O +ATOM 10569 H1 TIP3 8076 8.110 21.740 17.229 0.00 0.00 WT0 H +ATOM 10570 H2 TIP3 8076 8.230 23.240 17.069 0.00 0.00 WT0 H +ATOM 10571 OH2 TIP3 8087 7.703 -22.154 -9.141 0.00 0.00 WT0 O +ATOM 10572 H1 TIP3 8087 8.413 -21.614 -8.801 0.00 0.00 WT0 H +ATOM 10573 H2 TIP3 8087 8.143 -22.884 -9.581 0.00 0.00 WT0 H +ATOM 10574 OH2 TIP3 8091 -18.244 9.003 0.198 0.00 0.00 WT0 O +ATOM 10575 H1 TIP3 8091 -18.064 8.643 1.058 0.00 0.00 WT0 H +ATOM 10576 H2 TIP3 8091 -17.794 8.413 -0.412 0.00 0.00 WT0 H +ATOM 10577 OH2 TIP3 8094 -3.275 7.114 -10.811 0.00 0.00 WT0 O +ATOM 10578 H1 TIP3 8094 -2.985 7.984 -11.061 0.00 0.00 WT0 H +ATOM 10579 H2 TIP3 8094 -2.535 6.544 -11.011 0.00 0.00 WT0 H +ATOM 10580 OH2 TIP3 8097 7.791 -21.488 -5.431 0.00 0.00 WT0 O +ATOM 10581 H1 TIP3 8097 8.741 -21.368 -5.441 0.00 0.00 WT0 H +ATOM 10582 H2 TIP3 8097 7.441 -20.688 -5.821 0.00 0.00 WT0 H +ATOM 10583 OH2 TIP3 8100 8.620 -13.833 13.419 0.00 0.00 WT0 O +ATOM 10584 H1 TIP3 8100 8.340 -14.183 12.579 0.00 0.00 WT0 H +ATOM 10585 H2 TIP3 8100 7.920 -13.223 13.669 0.00 0.00 WT0 H +ATOM 10586 OH2 TIP3 8101 -9.410 -14.783 -10.614 0.00 0.00 WT0 O +ATOM 10587 H1 TIP3 8101 -9.750 -15.013 -9.754 0.00 0.00 WT0 H +ATOM 10588 H2 TIP3 8101 -8.500 -14.523 -10.454 0.00 0.00 WT0 H +ATOM 10589 OH2 TIP3 8106 -21.104 -24.975 -0.317 0.00 0.00 WT0 O +ATOM 10590 H1 TIP3 8106 -21.534 -24.445 -0.987 0.00 0.00 WT0 H +ATOM 10591 H2 TIP3 8106 -20.534 -24.365 0.143 0.00 0.00 WT0 H +ATOM 10592 OH2 TIP3 8107 24.933 12.696 -6.654 0.00 0.00 WT0 O +ATOM 10593 H1 TIP3 8107 24.873 13.236 -5.874 0.00 0.00 WT0 H +ATOM 10594 H2 TIP3 8107 24.623 13.256 -7.364 0.00 0.00 WT0 H +ATOM 10595 OH2 TIP3 8109 5.259 -6.029 -11.488 0.00 0.00 WT0 O +ATOM 10596 H1 TIP3 8109 6.199 -6.189 -11.558 0.00 0.00 WT0 H +ATOM 10597 H2 TIP3 8109 4.879 -6.879 -11.268 0.00 0.00 WT0 H +ATOM 10598 OH2 TIP3 8113 10.331 7.440 -5.044 0.00 0.00 WT0 O +ATOM 10599 H1 TIP3 8113 10.441 6.720 -4.424 0.00 0.00 WT0 H +ATOM 10600 H2 TIP3 8113 9.591 7.940 -4.714 0.00 0.00 WT0 H +ATOM 10601 OH2 TIP3 8115 10.400 -4.584 -19.418 0.00 0.00 WT0 O +ATOM 10602 H1 TIP3 8115 9.560 -4.584 -19.878 0.00 0.00 WT0 H +ATOM 10603 H2 TIP3 8115 10.170 -4.714 -18.498 0.00 0.00 WT0 H +ATOM 10604 OH2 TIP3 8117 1.134 -20.160 -1.415 0.00 0.00 WT0 O +ATOM 10605 H1 TIP3 8117 1.914 -19.690 -1.125 0.00 0.00 WT0 H +ATOM 10606 H2 TIP3 8117 0.414 -19.750 -0.935 0.00 0.00 WT0 H +ATOM 10607 OH2 TIP3 8119 7.643 19.925 5.399 0.00 0.00 WT0 O +ATOM 10608 H1 TIP3 8119 6.703 20.125 5.309 0.00 0.00 WT0 H +ATOM 10609 H2 TIP3 8119 7.713 19.505 6.259 0.00 0.00 WT0 H +ATOM 10610 OH2 TIP3 8120 -7.084 13.082 -4.944 0.00 0.00 WT0 O +ATOM 10611 H1 TIP3 8120 -6.304 12.882 -4.434 0.00 0.00 WT0 H +ATOM 10612 H2 TIP3 8120 -6.754 13.502 -5.744 0.00 0.00 WT0 H +ATOM 10613 OH2 TIP3 8132 -21.315 15.835 -8.300 0.00 0.00 WT0 O +ATOM 10614 H1 TIP3 8132 -20.425 16.165 -8.230 0.00 0.00 WT0 H +ATOM 10615 H2 TIP3 8132 -21.545 15.565 -7.410 0.00 0.00 WT0 H +ATOM 10616 OH2 TIP3 8133 -3.884 4.192 8.435 0.00 0.00 WT0 O +ATOM 10617 H1 TIP3 8133 -4.524 3.682 8.925 0.00 0.00 WT0 H +ATOM 10618 H2 TIP3 8133 -3.064 3.702 8.535 0.00 0.00 WT0 H +ATOM 10619 OH2 TIP3 8136 4.223 -1.527 -24.711 0.00 0.00 WT0 O +ATOM 10620 H1 TIP3 8136 3.553 -1.127 -25.261 0.00 0.00 WT0 H +ATOM 10621 H2 TIP3 8136 4.313 -0.937 -23.961 0.00 0.00 WT0 H +ATOM 10622 OH2 TIP3 8140 22.596 -10.834 -1.217 0.00 0.00 WT0 O +ATOM 10623 H1 TIP3 8140 23.516 -10.584 -1.117 0.00 0.00 WT0 H +ATOM 10624 H2 TIP3 8140 22.116 -10.014 -1.117 0.00 0.00 WT0 H +ATOM 10625 OH2 TIP3 8143 2.886 -5.233 -14.580 0.00 0.00 WT0 O +ATOM 10626 H1 TIP3 8143 3.606 -5.363 -13.960 0.00 0.00 WT0 H +ATOM 10627 H2 TIP3 8143 3.086 -4.403 -15.010 0.00 0.00 WT0 H +ATOM 10628 OH2 TIP3 8156 11.795 -3.468 -21.398 0.00 0.00 WT0 O +ATOM 10629 H1 TIP3 8156 11.605 -4.328 -21.778 0.00 0.00 WT0 H +ATOM 10630 H2 TIP3 8156 11.565 -3.568 -20.478 0.00 0.00 WT0 H +ATOM 10631 OH2 TIP3 8173 14.248 -14.831 -23.156 0.00 0.00 WT0 O +ATOM 10632 H1 TIP3 8173 14.728 -15.601 -22.856 0.00 0.00 WT0 H +ATOM 10633 H2 TIP3 8173 14.658 -14.601 -23.986 0.00 0.00 WT0 H +ATOM 10634 OH2 TIP3 8174 21.204 -2.889 14.729 0.00 0.00 WT0 O +ATOM 10635 H1 TIP3 8174 20.544 -3.579 14.779 0.00 0.00 WT0 H +ATOM 10636 H2 TIP3 8174 21.474 -2.749 15.639 0.00 0.00 WT0 H +ATOM 10637 OH2 TIP3 8176 -13.722 -2.077 -1.593 0.00 0.00 WT0 O +ATOM 10638 H1 TIP3 8176 -14.062 -1.337 -2.083 0.00 0.00 WT0 H +ATOM 10639 H2 TIP3 8176 -14.512 -2.527 -1.273 0.00 0.00 WT0 H +ATOM 10640 OH2 TIP3 8181 14.579 3.391 -0.908 0.00 0.00 WT0 O +ATOM 10641 H1 TIP3 8181 15.379 3.231 -0.418 0.00 0.00 WT0 H +ATOM 10642 H2 TIP3 8181 14.729 4.231 -1.338 0.00 0.00 WT0 H +ATOM 10643 OH2 TIP3 8185 4.597 6.652 -11.918 0.00 0.00 WT0 O +ATOM 10644 H1 TIP3 8185 3.667 6.842 -11.808 0.00 0.00 WT0 H +ATOM 10645 H2 TIP3 8185 4.627 5.712 -12.108 0.00 0.00 WT0 H +ATOM 10646 OH2 TIP3 8193 15.947 21.612 -1.144 0.00 0.00 WT0 O +ATOM 10647 H1 TIP3 8193 16.807 21.332 -0.814 0.00 0.00 WT0 H +ATOM 10648 H2 TIP3 8193 15.767 22.432 -0.684 0.00 0.00 WT0 H +ATOM 10649 OH2 TIP3 8201 18.099 15.795 23.101 0.00 0.00 WT0 O +ATOM 10650 H1 TIP3 8201 17.179 15.555 23.151 0.00 0.00 WT0 H +ATOM 10651 H2 TIP3 8201 18.099 16.745 22.991 0.00 0.00 WT0 H +ATOM 10652 OH2 TIP3 8202 2.985 19.265 -15.474 0.00 0.00 WT0 O +ATOM 10653 H1 TIP3 8202 3.865 18.985 -15.734 0.00 0.00 WT0 H +ATOM 10654 H2 TIP3 8202 2.735 19.905 -16.134 0.00 0.00 WT0 H +ATOM 10655 OH2 TIP3 8206 -16.431 -8.307 4.109 0.00 0.00 WT0 O +ATOM 10656 H1 TIP3 8206 -16.171 -8.517 4.999 0.00 0.00 WT0 H +ATOM 10657 H2 TIP3 8206 -16.081 -9.017 3.579 0.00 0.00 WT0 H +ATOM 10658 OH2 TIP3 8212 4.123 -4.732 -22.518 0.00 0.00 WT0 O +ATOM 10659 H1 TIP3 8212 4.303 -4.012 -21.918 0.00 0.00 WT0 H +ATOM 10660 H2 TIP3 8212 4.583 -4.502 -23.318 0.00 0.00 WT0 H +ATOM 10661 OH2 TIP3 8215 14.569 -20.447 17.652 0.00 0.00 WT0 O +ATOM 10662 H1 TIP3 8215 14.239 -20.457 18.552 0.00 0.00 WT0 H +ATOM 10663 H2 TIP3 8215 14.829 -19.537 17.512 0.00 0.00 WT0 H +ATOM 10664 OH2 TIP3 8218 -16.633 1.553 -10.814 0.00 0.00 WT0 O +ATOM 10665 H1 TIP3 8218 -16.693 1.413 -11.754 0.00 0.00 WT0 H +ATOM 10666 H2 TIP3 8218 -17.263 0.943 -10.444 0.00 0.00 WT0 H +ATOM 10667 OH2 TIP3 8222 2.519 6.672 -15.054 0.00 0.00 WT0 O +ATOM 10668 H1 TIP3 8222 2.669 5.762 -14.794 0.00 0.00 WT0 H +ATOM 10669 H2 TIP3 8222 3.369 6.972 -15.374 0.00 0.00 WT0 H +ATOM 10670 OH2 TIP3 8228 -5.061 10.835 4.284 0.00 0.00 WT0 O +ATOM 10671 H1 TIP3 8228 -4.801 9.915 4.374 0.00 0.00 WT0 H +ATOM 10672 H2 TIP3 8228 -6.011 10.815 4.274 0.00 0.00 WT0 H +ATOM 10673 OH2 TIP3 8240 -24.081 -19.368 16.355 0.00 0.00 WT0 O +ATOM 10674 H1 TIP3 8240 -23.891 -19.638 15.465 0.00 0.00 WT0 H +ATOM 10675 H2 TIP3 8240 -24.371 -18.458 16.275 0.00 0.00 WT0 H +ATOM 10676 OH2 TIP3 8241 11.787 13.726 21.027 0.00 0.00 WT0 O +ATOM 10677 H1 TIP3 8241 12.207 14.046 20.227 0.00 0.00 WT0 H +ATOM 10678 H2 TIP3 8241 12.247 14.186 21.737 0.00 0.00 WT0 H +ATOM 10679 OH2 TIP3 8242 16.344 -24.956 2.792 0.00 0.00 WT0 O +ATOM 10680 H1 TIP3 8242 17.284 -25.096 2.852 0.00 0.00 WT0 H +ATOM 10681 H2 TIP3 8242 15.964 -25.686 3.282 0.00 0.00 WT0 H +ATOM 10682 OH2 TIP3 8243 11.469 -14.672 -10.838 0.00 0.00 WT0 O +ATOM 10683 H1 TIP3 8243 11.769 -15.442 -10.358 0.00 0.00 WT0 H +ATOM 10684 H2 TIP3 8243 12.199 -14.062 -10.798 0.00 0.00 WT0 H +ATOM 10685 OH2 TIP3 8247 5.961 -11.259 -8.461 0.00 0.00 WT0 O +ATOM 10686 H1 TIP3 8247 5.311 -11.669 -9.031 0.00 0.00 WT0 H +ATOM 10687 H2 TIP3 8247 6.351 -11.989 -7.981 0.00 0.00 WT0 H +ATOM 10688 OH2 TIP3 8258 6.470 -20.462 16.433 0.00 0.00 WT0 O +ATOM 10689 H1 TIP3 8258 5.880 -19.722 16.283 0.00 0.00 WT0 H +ATOM 10690 H2 TIP3 8258 6.020 -20.992 17.083 0.00 0.00 WT0 H +ATOM 10691 OH2 TIP3 8262 8.846 -1.855 17.802 0.00 0.00 WT0 O +ATOM 10692 H1 TIP3 8262 9.666 -2.235 17.482 0.00 0.00 WT0 H +ATOM 10693 H2 TIP3 8262 9.116 -1.235 18.472 0.00 0.00 WT0 H +ATOM 10694 OH2 TIP3 8263 11.365 19.691 13.003 0.00 0.00 WT0 O +ATOM 10695 H1 TIP3 8263 12.085 19.391 13.563 0.00 0.00 WT0 H +ATOM 10696 H2 TIP3 8263 11.065 18.891 12.563 0.00 0.00 WT0 H +ATOM 10697 OH2 TIP3 8265 9.885 -21.122 -11.253 0.00 0.00 WT0 O +ATOM 10698 H1 TIP3 8265 10.325 -21.952 -11.463 0.00 0.00 WT0 H +ATOM 10699 H2 TIP3 8265 9.005 -21.222 -11.633 0.00 0.00 WT0 H +ATOM 10700 OH2 TIP3 8266 -12.434 4.138 2.816 0.00 0.00 WT0 O +ATOM 10701 H1 TIP3 8266 -13.214 4.228 3.356 0.00 0.00 WT0 H +ATOM 10702 H2 TIP3 8266 -11.704 4.248 3.416 0.00 0.00 WT0 H +ATOM 10703 OH2 TIP3 8279 13.587 -24.066 4.625 0.00 0.00 WT0 O +ATOM 10704 H1 TIP3 8279 12.687 -24.376 4.695 0.00 0.00 WT0 H +ATOM 10705 H2 TIP3 8279 14.087 -24.846 4.385 0.00 0.00 WT0 H +ATOM 10706 OH2 TIP3 8284 13.649 -11.221 -19.016 0.00 0.00 WT0 O +ATOM 10707 H1 TIP3 8284 14.139 -11.041 -19.826 0.00 0.00 WT0 H +ATOM 10708 H2 TIP3 8284 13.389 -10.361 -18.696 0.00 0.00 WT0 H +ATOM 10709 OH2 TIP3 8289 0.186 -19.856 10.079 0.00 0.00 WT0 O +ATOM 10710 H1 TIP3 8289 -0.144 -19.126 9.569 0.00 0.00 WT0 H +ATOM 10711 H2 TIP3 8289 0.616 -19.436 10.829 0.00 0.00 WT0 H +ATOM 10712 OH2 TIP3 8290 -22.933 13.313 -17.238 0.00 0.00 WT0 O +ATOM 10713 H1 TIP3 8290 -22.633 14.143 -17.598 0.00 0.00 WT0 H +ATOM 10714 H2 TIP3 8290 -22.123 12.823 -17.058 0.00 0.00 WT0 H +ATOM 10715 OH2 TIP3 8301 -21.819 22.299 24.868 0.00 0.00 WT0 O +ATOM 10716 H1 TIP3 8301 -22.599 21.859 25.198 0.00 0.00 WT0 H +ATOM 10717 H2 TIP3 8301 -21.319 21.609 24.418 0.00 0.00 WT0 H +ATOM 10718 OH2 TIP3 8309 24.606 -21.562 -1.951 0.00 0.00 WT0 O +ATOM 10719 H1 TIP3 8309 25.046 -21.392 -1.121 0.00 0.00 WT0 H +ATOM 10720 H2 TIP3 8309 23.756 -21.912 -1.701 0.00 0.00 WT0 H +ATOM 10721 OH2 TIP3 8322 -22.392 -20.992 -11.841 0.00 0.00 WT0 O +ATOM 10722 H1 TIP3 8322 -22.922 -20.782 -12.611 0.00 0.00 WT0 H +ATOM 10723 H2 TIP3 8322 -22.602 -21.912 -11.641 0.00 0.00 WT0 H +ATOM 10724 OH2 TIP3 8326 20.531 -10.486 6.145 0.00 0.00 WT0 O +ATOM 10725 H1 TIP3 8326 21.361 -10.926 5.945 0.00 0.00 WT0 H +ATOM 10726 H2 TIP3 8326 20.041 -10.506 5.325 0.00 0.00 WT0 H +ATOM 10727 OH2 TIP3 8342 1.260 6.708 -17.502 0.00 0.00 WT0 O +ATOM 10728 H1 TIP3 8342 1.480 6.578 -16.582 0.00 0.00 WT0 H +ATOM 10729 H2 TIP3 8342 0.320 6.558 -17.552 0.00 0.00 WT0 H +ATOM 10730 OH2 TIP3 8345 1.339 -1.568 17.650 0.00 0.00 WT0 O +ATOM 10731 H1 TIP3 8345 0.989 -1.628 18.540 0.00 0.00 WT0 H +ATOM 10732 H2 TIP3 8345 2.199 -1.988 17.710 0.00 0.00 WT0 H +ATOM 10733 OH2 TIP3 8352 8.213 11.977 -25.460 0.00 0.00 WT0 O +ATOM 10734 H1 TIP3 8352 7.283 11.797 -25.350 0.00 0.00 WT0 H +ATOM 10735 H2 TIP3 8352 8.383 12.707 -24.860 0.00 0.00 WT0 H +ATOM 10736 OH2 TIP3 8364 -5.907 -12.035 -23.081 0.00 0.00 WT0 O +ATOM 10737 H1 TIP3 8364 -6.657 -12.435 -23.521 0.00 0.00 WT0 H +ATOM 10738 H2 TIP3 8364 -6.017 -11.095 -23.221 0.00 0.00 WT0 H +ATOM 10739 OH2 TIP3 8370 -9.184 21.658 -12.365 0.00 0.00 WT0 O +ATOM 10740 H1 TIP3 8370 -8.674 21.478 -13.155 0.00 0.00 WT0 H +ATOM 10741 H2 TIP3 8370 -9.984 21.158 -12.485 0.00 0.00 WT0 H +ATOM 10742 OH2 TIP3 8388 0.396 -3.179 -13.981 0.00 0.00 WT0 O +ATOM 10743 H1 TIP3 8388 0.346 -2.889 -14.891 0.00 0.00 WT0 H +ATOM 10744 H2 TIP3 8388 1.276 -2.959 -13.701 0.00 0.00 WT0 H +ATOM 10745 OH2 TIP3 8391 9.991 -7.952 19.618 0.00 0.00 WT0 O +ATOM 10746 H1 TIP3 8391 9.271 -7.452 19.208 0.00 0.00 WT0 H +ATOM 10747 H2 TIP3 8391 10.421 -8.392 18.888 0.00 0.00 WT0 H +ATOM 10748 OH2 TIP3 8393 -21.387 4.824 9.362 0.00 0.00 WT0 O +ATOM 10749 H1 TIP3 8393 -21.307 4.464 10.242 0.00 0.00 WT0 H +ATOM 10750 H2 TIP3 8393 -21.897 5.634 9.472 0.00 0.00 WT0 H +ATOM 10751 OH2 TIP3 8394 3.063 -2.266 -4.011 0.00 0.00 WT0 O +ATOM 10752 H1 TIP3 8394 2.853 -1.986 -3.121 0.00 0.00 WT0 H +ATOM 10753 H2 TIP3 8394 3.623 -3.036 -3.891 0.00 0.00 WT0 H +ATOM 10754 OH2 TIP3 8403 -21.257 21.231 19.430 0.00 0.00 WT0 O +ATOM 10755 H1 TIP3 8403 -20.517 21.301 20.030 0.00 0.00 WT0 H +ATOM 10756 H2 TIP3 8403 -20.887 21.411 18.570 0.00 0.00 WT0 H +ATOM 10757 OH2 TIP3 8408 -1.412 6.511 2.231 0.00 0.00 WT0 O +ATOM 10758 H1 TIP3 8408 -0.592 6.951 2.011 0.00 0.00 WT0 H +ATOM 10759 H2 TIP3 8408 -1.902 6.481 1.411 0.00 0.00 WT0 H +ATOM 10760 OH2 TIP3 8409 23.040 -4.865 8.735 0.00 0.00 WT0 O +ATOM 10761 H1 TIP3 8409 23.860 -5.175 9.115 0.00 0.00 WT0 H +ATOM 10762 H2 TIP3 8409 22.470 -5.635 8.745 0.00 0.00 WT0 H +ATOM 10763 OH2 TIP3 8411 -22.776 19.902 -12.797 0.00 0.00 WT0 O +ATOM 10764 H1 TIP3 8411 -23.666 20.262 -12.847 0.00 0.00 WT0 H +ATOM 10765 H2 TIP3 8411 -22.876 18.972 -13.007 0.00 0.00 WT0 H +ATOM 10766 OH2 TIP3 8412 -18.479 -13.502 21.893 0.00 0.00 WT0 O +ATOM 10767 H1 TIP3 8412 -17.909 -13.292 22.643 0.00 0.00 WT0 H +ATOM 10768 H2 TIP3 8412 -18.729 -12.652 21.533 0.00 0.00 WT0 H +ATOM 10769 OH2 TIP3 8414 14.498 19.371 -16.380 0.00 0.00 WT0 O +ATOM 10770 H1 TIP3 8414 13.818 20.031 -16.490 0.00 0.00 WT0 H +ATOM 10771 H2 TIP3 8414 14.888 19.281 -17.250 0.00 0.00 WT0 H +ATOM 10772 OH2 TIP3 8415 -4.130 -1.506 -1.062 0.00 0.00 WT0 O +ATOM 10773 H1 TIP3 8415 -4.280 -2.446 -0.942 0.00 0.00 WT0 H +ATOM 10774 H2 TIP3 8415 -4.680 -1.276 -1.812 0.00 0.00 WT0 H +ATOM 10775 OH2 TIP3 8425 21.670 15.904 23.695 0.00 0.00 WT0 O +ATOM 10776 H1 TIP3 8425 21.410 15.664 22.805 0.00 0.00 WT0 H +ATOM 10777 H2 TIP3 8425 21.590 15.094 24.195 0.00 0.00 WT0 H +ATOM 10778 OH2 TIP3 8436 24.530 12.863 -15.168 0.00 0.00 WT0 O +ATOM 10779 H1 TIP3 8436 25.170 12.333 -15.638 0.00 0.00 WT0 H +ATOM 10780 H2 TIP3 8436 25.030 13.293 -14.478 0.00 0.00 WT0 H +ATOM 10781 OH2 TIP3 8441 -2.139 -13.876 -11.894 0.00 0.00 WT0 O +ATOM 10782 H1 TIP3 8441 -2.899 -13.436 -11.514 0.00 0.00 WT0 H +ATOM 10783 H2 TIP3 8441 -2.239 -13.746 -12.834 0.00 0.00 WT0 H +ATOM 10784 OH2 TIP3 8446 13.096 15.127 -6.783 0.00 0.00 WT0 O +ATOM 10785 H1 TIP3 8446 13.856 15.667 -6.963 0.00 0.00 WT0 H +ATOM 10786 H2 TIP3 8446 13.386 14.517 -6.103 0.00 0.00 WT0 H +ATOM 10787 OH2 TIP3 8448 24.431 -6.217 11.382 0.00 0.00 WT0 O +ATOM 10788 H1 TIP3 8448 24.951 -6.967 11.082 0.00 0.00 WT0 H +ATOM 10789 H2 TIP3 8448 23.571 -6.577 11.562 0.00 0.00 WT0 H +ATOM 10790 OH2 TIP3 8457 19.736 3.048 15.688 0.00 0.00 WT0 O +ATOM 10791 H1 TIP3 8457 19.206 2.248 15.588 0.00 0.00 WT0 H +ATOM 10792 H2 TIP3 8457 19.116 3.758 15.548 0.00 0.00 WT0 H +ATOM 10793 OH2 TIP3 8462 17.701 -19.835 16.020 0.00 0.00 WT0 O +ATOM 10794 H1 TIP3 8462 16.821 -19.495 15.840 0.00 0.00 WT0 H +ATOM 10795 H2 TIP3 8462 17.571 -20.765 16.170 0.00 0.00 WT0 H +ATOM 10796 OH2 TIP3 8466 3.443 -17.926 22.615 0.00 0.00 WT0 O +ATOM 10797 H1 TIP3 8466 2.923 -18.306 23.325 0.00 0.00 WT0 H +ATOM 10798 H2 TIP3 8466 2.833 -17.866 21.875 0.00 0.00 WT0 H +ATOM 10799 OH2 TIP3 8468 19.571 11.950 -5.230 0.00 0.00 WT0 O +ATOM 10800 H1 TIP3 8468 19.671 11.350 -4.500 0.00 0.00 WT0 H +ATOM 10801 H2 TIP3 8468 20.311 11.750 -5.810 0.00 0.00 WT0 H +ATOM 10802 OH2 TIP3 8481 11.456 -11.061 23.159 0.00 0.00 WT0 O +ATOM 10803 H1 TIP3 8481 10.616 -11.521 23.219 0.00 0.00 WT0 H +ATOM 10804 H2 TIP3 8481 11.346 -10.461 22.419 0.00 0.00 WT0 H +ATOM 10805 OH2 TIP3 8486 1.709 -22.373 2.877 0.00 0.00 WT0 O +ATOM 10806 H1 TIP3 8486 2.449 -22.493 2.277 0.00 0.00 WT0 H +ATOM 10807 H2 TIP3 8486 0.939 -22.563 2.347 0.00 0.00 WT0 H +ATOM 10808 OH2 TIP3 8492 3.586 -13.348 4.276 0.00 0.00 WT0 O +ATOM 10809 H1 TIP3 8492 3.566 -12.838 5.086 0.00 0.00 WT0 H +ATOM 10810 H2 TIP3 8492 2.666 -13.538 4.086 0.00 0.00 WT0 H +ATOM 10811 OH2 TIP3 8507 15.858 22.682 1.513 0.00 0.00 WT0 O +ATOM 10812 H1 TIP3 8507 15.688 21.892 2.023 0.00 0.00 WT0 H +ATOM 10813 H2 TIP3 8507 16.818 22.732 1.453 0.00 0.00 WT0 H +ATOM 10814 OH2 TIP3 8509 19.576 20.438 -17.314 0.00 0.00 WT0 O +ATOM 10815 H1 TIP3 8509 20.296 20.428 -17.944 0.00 0.00 WT0 H +ATOM 10816 H2 TIP3 8509 19.646 21.288 -16.884 0.00 0.00 WT0 H +ATOM 10817 OH2 TIP3 8511 -19.733 -15.092 -6.700 0.00 0.00 WT0 O +ATOM 10818 H1 TIP3 8511 -19.413 -15.962 -6.950 0.00 0.00 WT0 H +ATOM 10819 H2 TIP3 8511 -19.943 -15.182 -5.770 0.00 0.00 WT0 H +ATOM 10820 OH2 TIP3 8518 -14.120 4.211 -18.616 0.00 0.00 WT0 O +ATOM 10821 H1 TIP3 8518 -14.610 4.321 -17.806 0.00 0.00 WT0 H +ATOM 10822 H2 TIP3 8518 -14.250 3.301 -18.866 0.00 0.00 WT0 H +ATOM 10823 OH2 TIP3 8520 17.560 11.455 -7.053 0.00 0.00 WT0 O +ATOM 10824 H1 TIP3 8520 18.150 10.725 -6.843 0.00 0.00 WT0 H +ATOM 10825 H2 TIP3 8520 17.590 12.015 -6.273 0.00 0.00 WT0 H +ATOM 10826 OH2 TIP3 8528 -20.441 5.085 18.767 0.00 0.00 WT0 O +ATOM 10827 H1 TIP3 8528 -20.641 5.415 19.647 0.00 0.00 WT0 H +ATOM 10828 H2 TIP3 8528 -21.121 5.465 18.207 0.00 0.00 WT0 H +ATOM 10829 OH2 TIP3 8534 -3.280 -4.607 17.844 0.00 0.00 WT0 O +ATOM 10830 H1 TIP3 8534 -4.180 -4.907 17.724 0.00 0.00 WT0 H +ATOM 10831 H2 TIP3 8534 -3.210 -4.407 18.774 0.00 0.00 WT0 H +ATOM 10832 OH2 TIP3 8536 13.638 22.514 21.527 0.00 0.00 WT0 O +ATOM 10833 H1 TIP3 8536 13.668 23.454 21.707 0.00 0.00 WT0 H +ATOM 10834 H2 TIP3 8536 12.728 22.334 21.287 0.00 0.00 WT0 H +ATOM 10835 OH2 TIP3 8538 20.443 7.776 -10.418 0.00 0.00 WT0 O +ATOM 10836 H1 TIP3 8538 20.823 7.826 -11.298 0.00 0.00 WT0 H +ATOM 10837 H2 TIP3 8538 19.803 8.486 -10.388 0.00 0.00 WT0 H +ATOM 10838 OH2 TIP3 8543 10.121 -21.747 19.232 0.00 0.00 WT0 O +ATOM 10839 H1 TIP3 8543 10.991 -22.087 19.462 0.00 0.00 WT0 H +ATOM 10840 H2 TIP3 8543 10.011 -20.977 19.782 0.00 0.00 WT0 H +ATOM 10841 OH2 TIP3 8548 5.631 17.396 -16.120 0.00 0.00 WT0 O +ATOM 10842 H1 TIP3 8548 5.301 16.856 -16.830 0.00 0.00 WT0 H +ATOM 10843 H2 TIP3 8548 6.421 17.806 -16.470 0.00 0.00 WT0 H +ATOM 10844 OH2 TIP3 8549 -18.103 -21.475 -12.021 0.00 0.00 WT0 O +ATOM 10845 H1 TIP3 8549 -18.423 -21.005 -12.781 0.00 0.00 WT0 H +ATOM 10846 H2 TIP3 8549 -18.823 -21.455 -11.401 0.00 0.00 WT0 H +ATOM 10847 OH2 TIP3 8551 10.435 0.612 13.229 0.00 0.00 WT0 O +ATOM 10848 H1 TIP3 8551 10.245 -0.068 13.869 0.00 0.00 WT0 H +ATOM 10849 H2 TIP3 8551 11.085 0.222 12.649 0.00 0.00 WT0 H +ATOM 10850 OH2 TIP3 8555 -6.821 -22.860 8.551 0.00 0.00 WT0 O +ATOM 10851 H1 TIP3 8555 -6.031 -22.810 9.081 0.00 0.00 WT0 H +ATOM 10852 H2 TIP3 8555 -7.151 -21.960 8.531 0.00 0.00 WT0 H +ATOM 10853 OH2 TIP3 8556 17.944 -22.507 0.211 0.00 0.00 WT0 O +ATOM 10854 H1 TIP3 8556 17.434 -21.817 -0.199 0.00 0.00 WT0 H +ATOM 10855 H2 TIP3 8556 18.704 -22.627 -0.359 0.00 0.00 WT0 H +ATOM 10856 OH2 TIP3 8558 -13.457 -22.270 20.934 0.00 0.00 WT0 O +ATOM 10857 H1 TIP3 8558 -12.607 -22.110 21.344 0.00 0.00 WT0 H +ATOM 10858 H2 TIP3 8558 -13.287 -22.950 20.284 0.00 0.00 WT0 H +ATOM 10859 OH2 TIP3 8560 -13.035 -16.375 -19.408 0.00 0.00 WT0 O +ATOM 10860 H1 TIP3 8560 -13.335 -15.935 -20.208 0.00 0.00 WT0 H +ATOM 10861 H2 TIP3 8560 -12.265 -15.875 -19.138 0.00 0.00 WT0 H +ATOM 10862 OH2 TIP3 8561 -8.539 -11.460 4.592 0.00 0.00 WT0 O +ATOM 10863 H1 TIP3 8561 -7.759 -11.980 4.422 0.00 0.00 WT0 H +ATOM 10864 H2 TIP3 8561 -9.159 -11.730 3.902 0.00 0.00 WT0 H +ATOM 10865 OH2 TIP3 8564 -5.104 -7.009 21.592 0.00 0.00 WT0 O +ATOM 10866 H1 TIP3 8564 -5.524 -6.329 22.112 0.00 0.00 WT0 H +ATOM 10867 H2 TIP3 8564 -5.764 -7.709 21.532 0.00 0.00 WT0 H +ATOM 10868 OH2 TIP3 8566 -17.143 20.579 -14.246 0.00 0.00 WT0 O +ATOM 10869 H1 TIP3 8566 -16.983 20.309 -13.346 0.00 0.00 WT0 H +ATOM 10870 H2 TIP3 8566 -16.293 20.869 -14.566 0.00 0.00 WT0 H +ATOM 10871 OH2 TIP3 8568 0.978 4.460 11.413 0.00 0.00 WT0 O +ATOM 10872 H1 TIP3 8568 1.818 4.080 11.653 0.00 0.00 WT0 H +ATOM 10873 H2 TIP3 8568 1.188 5.150 10.783 0.00 0.00 WT0 H +ATOM 10874 OH2 TIP3 8574 19.454 -14.029 25.335 0.00 0.00 WT0 O +ATOM 10875 H1 TIP3 8574 20.004 -13.389 24.885 0.00 0.00 WT0 H +ATOM 10876 H2 TIP3 8574 18.954 -14.449 24.645 0.00 0.00 WT0 H +ATOM 10877 OH2 TIP3 8575 16.090 24.447 -1.929 0.00 0.00 WT0 O +ATOM 10878 H1 TIP3 8575 15.710 25.047 -2.569 0.00 0.00 WT0 H +ATOM 10879 H2 TIP3 8575 15.560 24.567 -1.139 0.00 0.00 WT0 H +ATOM 10880 OH2 TIP3 8576 4.364 -1.359 -21.948 0.00 0.00 WT0 O +ATOM 10881 H1 TIP3 8576 4.814 -2.009 -21.418 0.00 0.00 WT0 H +ATOM 10882 H2 TIP3 8576 4.944 -0.599 -21.958 0.00 0.00 WT0 H +ATOM 10883 OH2 TIP3 8577 -23.476 -16.626 7.161 0.00 0.00 WT0 O +ATOM 10884 H1 TIP3 8577 -22.816 -16.766 7.831 0.00 0.00 WT0 H +ATOM 10885 H2 TIP3 8577 -23.136 -15.886 6.651 0.00 0.00 WT0 H +ATOM 10886 OH2 TIP3 8578 -4.015 8.704 -14.396 0.00 0.00 WT0 O +ATOM 10887 H1 TIP3 8578 -3.245 9.254 -14.276 0.00 0.00 WT0 H +ATOM 10888 H2 TIP3 8578 -3.655 7.844 -14.636 0.00 0.00 WT0 H +ATOM 10889 OH2 TIP3 8579 3.148 23.928 10.380 0.00 0.00 WT0 O +ATOM 10890 H1 TIP3 8579 3.068 23.558 9.500 0.00 0.00 WT0 H +ATOM 10891 H2 TIP3 8579 3.968 24.418 10.360 0.00 0.00 WT0 H +ATOM 10892 OH2 TIP3 8582 20.740 -18.635 8.768 0.00 0.00 WT0 O +ATOM 10893 H1 TIP3 8582 20.560 -18.195 7.938 0.00 0.00 WT0 H +ATOM 10894 H2 TIP3 8582 21.580 -18.255 9.058 0.00 0.00 WT0 H +ATOM 10895 OH2 TIP3 8585 7.343 -4.868 -18.104 0.00 0.00 WT0 O +ATOM 10896 H1 TIP3 8585 6.673 -4.938 -17.424 0.00 0.00 WT0 H +ATOM 10897 H2 TIP3 8585 8.053 -5.428 -17.784 0.00 0.00 WT0 H +ATOM 10898 OH2 TIP3 8589 20.658 -8.428 3.656 0.00 0.00 WT0 O +ATOM 10899 H1 TIP3 8589 21.438 -8.208 3.156 0.00 0.00 WT0 H +ATOM 10900 H2 TIP3 8589 20.328 -9.228 3.246 0.00 0.00 WT0 H +ATOM 10901 OH2 TIP3 8599 -24.097 -19.570 -10.153 0.00 0.00 WT0 O +ATOM 10902 H1 TIP3 8599 -24.437 -18.810 -9.683 0.00 0.00 WT0 H +ATOM 10903 H2 TIP3 8599 -23.277 -19.780 -9.703 0.00 0.00 WT0 H +ATOM 10904 OH2 TIP3 8600 -5.752 22.581 -17.662 0.00 0.00 WT0 O +ATOM 10905 H1 TIP3 8600 -5.212 23.011 -18.332 0.00 0.00 WT0 H +ATOM 10906 H2 TIP3 8600 -5.442 21.681 -17.642 0.00 0.00 WT0 H +ATOM 10907 OH2 TIP3 8613 -7.955 12.182 -21.331 0.00 0.00 WT0 O +ATOM 10908 H1 TIP3 8613 -7.515 11.792 -20.571 0.00 0.00 WT0 H +ATOM 10909 H2 TIP3 8613 -8.875 11.922 -21.241 0.00 0.00 WT0 H +ATOM 10910 OH2 TIP3 8617 10.217 20.770 -0.882 0.00 0.00 WT0 O +ATOM 10911 H1 TIP3 8617 10.517 21.620 -1.202 0.00 0.00 WT0 H +ATOM 10912 H2 TIP3 8617 10.087 20.910 0.058 0.00 0.00 WT0 H +ATOM 10913 OH2 TIP3 8621 -14.641 15.002 12.746 0.00 0.00 WT0 O +ATOM 10914 H1 TIP3 8621 -13.881 15.272 13.266 0.00 0.00 WT0 H +ATOM 10915 H2 TIP3 8621 -14.651 15.602 11.996 0.00 0.00 WT0 H +ATOM 10916 OH2 TIP3 8622 21.784 5.645 -4.056 0.00 0.00 WT0 O +ATOM 10917 H1 TIP3 8622 21.644 6.505 -3.676 0.00 0.00 WT0 H +ATOM 10918 H2 TIP3 8622 22.564 5.305 -3.626 0.00 0.00 WT0 H +ATOM 10919 OH2 TIP3 8624 2.886 23.141 18.890 0.00 0.00 WT0 O +ATOM 10920 H1 TIP3 8624 3.466 23.901 18.930 0.00 0.00 WT0 H +ATOM 10921 H2 TIP3 8624 3.436 22.401 19.140 0.00 0.00 WT0 H +ATOM 10922 OH2 TIP3 8628 24.938 4.729 -24.077 0.00 0.00 WT0 O +ATOM 10923 H1 TIP3 8628 24.968 4.489 -24.997 0.00 0.00 WT0 H +ATOM 10924 H2 TIP3 8628 25.048 5.679 -24.057 0.00 0.00 WT0 H +ATOM 10925 OH2 TIP3 8642 -23.773 20.599 25.045 0.00 0.00 WT0 O +ATOM 10926 H1 TIP3 8642 -24.033 20.379 24.145 0.00 0.00 WT0 H +ATOM 10927 H2 TIP3 8642 -24.343 20.059 25.595 0.00 0.00 WT0 H +ATOM 10928 OH2 TIP3 8645 12.300 -9.605 8.146 0.00 0.00 WT0 O +ATOM 10929 H1 TIP3 8645 12.060 -9.285 7.266 0.00 0.00 WT0 H +ATOM 10930 H2 TIP3 8645 11.620 -9.255 8.716 0.00 0.00 WT0 H +ATOM 10931 OH2 TIP3 8653 24.080 -19.102 19.243 0.00 0.00 WT0 O +ATOM 10932 H1 TIP3 8653 24.710 -19.112 19.963 0.00 0.00 WT0 H +ATOM 10933 H2 TIP3 8653 23.230 -19.242 19.673 0.00 0.00 WT0 H +ATOM 10934 OH2 TIP3 8658 5.237 20.075 22.035 0.00 0.00 WT0 O +ATOM 10935 H1 TIP3 8658 4.817 20.435 21.255 0.00 0.00 WT0 H +ATOM 10936 H2 TIP3 8658 4.567 19.535 22.445 0.00 0.00 WT0 H +ATOM 10937 OH2 TIP3 8662 -10.943 15.536 -17.341 0.00 0.00 WT0 O +ATOM 10938 H1 TIP3 8662 -11.623 15.376 -18.001 0.00 0.00 WT0 H +ATOM 10939 H2 TIP3 8662 -11.143 14.936 -16.631 0.00 0.00 WT0 H +ATOM 10940 OH2 TIP3 8664 -19.794 -0.350 -12.248 0.00 0.00 WT0 O +ATOM 10941 H1 TIP3 8664 -18.874 -0.260 -12.468 0.00 0.00 WT0 H +ATOM 10942 H2 TIP3 8664 -19.924 -1.290 -12.148 0.00 0.00 WT0 H +ATOM 10943 OH2 TIP3 8668 7.395 12.589 -7.368 0.00 0.00 WT0 O +ATOM 10944 H1 TIP3 8668 7.075 13.019 -8.158 0.00 0.00 WT0 H +ATOM 10945 H2 TIP3 8668 8.035 11.949 -7.688 0.00 0.00 WT0 H +ATOM 10946 OH2 TIP3 8675 15.111 16.732 11.861 0.00 0.00 WT0 O +ATOM 10947 H1 TIP3 8675 16.061 16.572 11.821 0.00 0.00 WT0 H +ATOM 10948 H2 TIP3 8675 14.921 16.832 12.801 0.00 0.00 WT0 H +ATOM 10949 OH2 TIP3 8678 -14.014 21.389 -22.755 0.00 0.00 WT0 O +ATOM 10950 H1 TIP3 8678 -14.094 21.209 -23.695 0.00 0.00 WT0 H +ATOM 10951 H2 TIP3 8678 -14.914 21.429 -22.445 0.00 0.00 WT0 H +ATOM 10952 OH2 TIP3 8679 24.639 3.965 -6.587 0.00 0.00 WT0 O +ATOM 10953 H1 TIP3 8679 24.369 4.555 -7.287 0.00 0.00 WT0 H +ATOM 10954 H2 TIP3 8679 25.229 4.495 -6.047 0.00 0.00 WT0 H +ATOM 10955 OH2 TIP3 8683 20.279 -8.797 8.506 0.00 0.00 WT0 O +ATOM 10956 H1 TIP3 8683 20.069 -8.997 7.596 0.00 0.00 WT0 H +ATOM 10957 H2 TIP3 8683 21.149 -9.187 8.636 0.00 0.00 WT0 H +ATOM 10958 OH2 TIP3 8687 23.891 -8.461 -9.111 0.00 0.00 WT0 O +ATOM 10959 H1 TIP3 8687 23.971 -9.101 -8.411 0.00 0.00 WT0 H +ATOM 10960 H2 TIP3 8687 24.431 -8.811 -9.821 0.00 0.00 WT0 H +ATOM 10961 OH2 TIP3 8690 19.331 -10.600 -4.759 0.00 0.00 WT0 O +ATOM 10962 H1 TIP3 8690 19.611 -11.410 -5.189 0.00 0.00 WT0 H +ATOM 10963 H2 TIP3 8690 18.701 -10.220 -5.369 0.00 0.00 WT0 H +ATOM 10964 OH2 TIP3 8691 25.511 9.334 7.123 0.00 0.00 WT0 O +ATOM 10965 H1 TIP3 8691 24.881 9.924 7.553 0.00 0.00 WT0 H +ATOM 10966 H2 TIP3 8691 24.991 8.874 6.473 0.00 0.00 WT0 H +ATOM 10967 OH2 TIP3 8713 0.751 -12.711 -8.179 0.00 0.00 WT0 O +ATOM 10968 H1 TIP3 8713 0.271 -12.071 -8.699 0.00 0.00 WT0 H +ATOM 10969 H2 TIP3 8713 0.341 -13.551 -8.389 0.00 0.00 WT0 H +ATOM 10970 OH2 TIP3 8721 24.150 4.204 -9.597 0.00 0.00 WT0 O +ATOM 10971 H1 TIP3 8721 23.460 3.664 -9.207 0.00 0.00 WT0 H +ATOM 10972 H2 TIP3 8721 24.880 3.604 -9.707 0.00 0.00 WT0 H +ATOM 10973 OH2 TIP3 8722 -11.936 12.312 -2.254 0.00 0.00 WT0 O +ATOM 10974 H1 TIP3 8722 -12.786 12.292 -1.804 0.00 0.00 WT0 H +ATOM 10975 H2 TIP3 8722 -11.916 13.162 -2.694 0.00 0.00 WT0 H +ATOM 10976 OH2 TIP3 8732 -4.280 24.511 -15.663 0.00 0.00 WT0 O +ATOM 10977 H1 TIP3 8732 -3.590 23.971 -15.283 0.00 0.00 WT0 H +ATOM 10978 H2 TIP3 8732 -4.850 23.881 -16.123 0.00 0.00 WT0 H +ATOM 10979 OH2 TIP3 8748 -20.774 -24.239 -5.931 0.00 0.00 WT0 O +ATOM 10980 H1 TIP3 8748 -21.624 -23.989 -5.551 0.00 0.00 WT0 H +ATOM 10981 H2 TIP3 8748 -20.674 -25.159 -5.691 0.00 0.00 WT0 H +ATOM 10982 OH2 TIP3 8756 7.244 -24.173 -5.929 0.00 0.00 WT0 O +ATOM 10983 H1 TIP3 8756 7.854 -23.583 -6.359 0.00 0.00 WT0 H +ATOM 10984 H2 TIP3 8756 6.394 -23.753 -6.019 0.00 0.00 WT0 H +ATOM 10985 OH2 TIP3 8760 7.487 -23.319 4.945 0.00 0.00 WT0 O +ATOM 10986 H1 TIP3 8760 6.977 -22.809 4.325 0.00 0.00 WT0 H +ATOM 10987 H2 TIP3 8760 6.877 -23.509 5.655 0.00 0.00 WT0 H +ATOM 10988 OH2 TIP3 8780 18.660 -15.574 20.125 0.00 0.00 WT0 O +ATOM 10989 H1 TIP3 8780 19.020 -16.264 20.675 0.00 0.00 WT0 H +ATOM 10990 H2 TIP3 8780 18.600 -14.814 20.705 0.00 0.00 WT0 H +ATOM 10991 OH2 TIP3 8794 21.149 11.768 15.989 0.00 0.00 WT0 O +ATOM 10992 H1 TIP3 8794 21.749 12.508 15.929 0.00 0.00 WT0 H +ATOM 10993 H2 TIP3 8794 20.329 12.088 15.619 0.00 0.00 WT0 H +ATOM 10994 OH2 TIP3 8801 -17.643 -24.538 22.155 0.00 0.00 WT0 O +ATOM 10995 H1 TIP3 8801 -18.343 -25.178 22.305 0.00 0.00 WT0 H +ATOM 10996 H2 TIP3 8801 -16.873 -24.928 22.565 0.00 0.00 WT0 H +ATOM 10997 OH2 TIP3 8809 -13.182 -8.500 -6.878 0.00 0.00 WT0 O +ATOM 10998 H1 TIP3 8809 -12.832 -8.760 -7.728 0.00 0.00 WT0 H +ATOM 10999 H2 TIP3 8809 -14.122 -8.620 -6.958 0.00 0.00 WT0 H +ATOM 11000 OH2 TIP3 8813 -3.065 -20.046 11.691 0.00 0.00 WT0 O +ATOM 11001 H1 TIP3 8813 -2.895 -20.376 12.581 0.00 0.00 WT0 H +ATOM 11002 H2 TIP3 8813 -2.735 -19.146 11.701 0.00 0.00 WT0 H +ATOM 11003 OH2 TIP3 8822 0.020 -6.458 -0.786 0.00 0.00 WT0 O +ATOM 11004 H1 TIP3 8822 -0.730 -6.618 -0.216 0.00 0.00 WT0 H +ATOM 11005 H2 TIP3 8822 0.100 -7.258 -1.306 0.00 0.00 WT0 H +ATOM 11006 OH2 TIP3 8829 14.520 23.850 4.222 0.00 0.00 WT0 O +ATOM 11007 H1 TIP3 8829 15.220 23.610 4.832 0.00 0.00 WT0 H +ATOM 11008 H2 TIP3 8829 13.930 23.090 4.232 0.00 0.00 WT0 H +ATOM 11009 OH2 TIP3 8833 19.466 -7.565 12.635 0.00 0.00 WT0 O +ATOM 11010 H1 TIP3 8833 19.176 -7.315 13.515 0.00 0.00 WT0 H +ATOM 11011 H2 TIP3 8833 19.726 -8.485 12.715 0.00 0.00 WT0 H +ATOM 11012 OH2 TIP3 8836 15.644 -7.438 3.316 0.00 0.00 WT0 O +ATOM 11013 H1 TIP3 8836 15.704 -8.088 4.016 0.00 0.00 WT0 H +ATOM 11014 H2 TIP3 8836 16.524 -7.408 2.946 0.00 0.00 WT0 H +ATOM 11015 OH2 TIP3 8843 -9.123 18.242 9.192 0.00 0.00 WT0 O +ATOM 11016 H1 TIP3 8843 -8.733 19.112 9.112 0.00 0.00 WT0 H +ATOM 11017 H2 TIP3 8843 -9.913 18.372 9.712 0.00 0.00 WT0 H +ATOM 11018 OH2 TIP3 8848 -13.645 -14.867 6.291 0.00 0.00 WT0 O +ATOM 11019 H1 TIP3 8848 -13.505 -13.937 6.081 0.00 0.00 WT0 H +ATOM 11020 H2 TIP3 8848 -13.835 -14.877 7.231 0.00 0.00 WT0 H +ATOM 11021 OH2 TIP3 8852 19.874 -6.428 5.080 0.00 0.00 WT0 O +ATOM 11022 H1 TIP3 8852 20.534 -5.858 4.690 0.00 0.00 WT0 H +ATOM 11023 H2 TIP3 8852 19.954 -7.258 4.600 0.00 0.00 WT0 H +ATOM 11024 OH2 TIP3 8855 -21.576 0.119 12.050 0.00 0.00 WT0 O +ATOM 11025 H1 TIP3 8855 -22.396 0.249 11.580 0.00 0.00 WT0 H +ATOM 11026 H2 TIP3 8855 -21.246 -0.721 11.730 0.00 0.00 WT0 H +ATOM 11027 OH2 TIP3 8865 0.896 18.281 23.992 0.00 0.00 WT0 O +ATOM 11028 H1 TIP3 8865 0.086 18.711 24.282 0.00 0.00 WT0 H +ATOM 11029 H2 TIP3 8865 0.686 17.931 23.122 0.00 0.00 WT0 H +ATOM 11030 OH2 TIP3 8869 15.017 12.273 8.850 0.00 0.00 WT0 O +ATOM 11031 H1 TIP3 8869 15.477 13.113 8.960 0.00 0.00 WT0 H +ATOM 11032 H2 TIP3 8869 14.297 12.473 8.250 0.00 0.00 WT0 H +ATOM 11033 OH2 TIP3 8870 -9.406 11.533 17.880 0.00 0.00 WT0 O +ATOM 11034 H1 TIP3 8870 -8.936 11.223 17.110 0.00 0.00 WT0 H +ATOM 11035 H2 TIP3 8870 -8.726 11.663 18.540 0.00 0.00 WT0 H +ATOM 11036 OH2 TIP3 8886 -21.894 -19.513 8.322 0.00 0.00 WT0 O +ATOM 11037 H1 TIP3 8886 -21.724 -20.323 7.852 0.00 0.00 WT0 H +ATOM 11038 H2 TIP3 8886 -22.814 -19.323 8.152 0.00 0.00 WT0 H +ATOM 11039 OH2 TIP3 8887 -5.093 -8.472 -23.241 0.00 0.00 WT0 O +ATOM 11040 H1 TIP3 8887 -4.373 -8.402 -22.621 0.00 0.00 WT0 H +ATOM 11041 H2 TIP3 8887 -4.863 -7.872 -23.951 0.00 0.00 WT0 H +ATOM 11042 OH2 TIP3 8893 9.647 0.451 23.545 0.00 0.00 WT0 O +ATOM 11043 H1 TIP3 8893 8.827 0.751 23.155 0.00 0.00 WT0 H +ATOM 11044 H2 TIP3 8893 9.967 -0.209 22.935 0.00 0.00 WT0 H +ATOM 11045 OH2 TIP3 8894 14.816 4.635 -3.448 0.00 0.00 WT0 O +ATOM 11046 H1 TIP3 8894 13.956 4.955 -3.738 0.00 0.00 WT0 H +ATOM 11047 H2 TIP3 8894 15.346 4.655 -4.238 0.00 0.00 WT0 H +ATOM 11048 OH2 TIP3 8895 4.696 19.155 5.850 0.00 0.00 WT0 O +ATOM 11049 H1 TIP3 8895 4.686 18.695 6.690 0.00 0.00 WT0 H +ATOM 11050 H2 TIP3 8895 3.826 19.555 5.780 0.00 0.00 WT0 H +ATOM 11051 OH2 TIP3 8896 15.003 17.689 23.775 0.00 0.00 WT0 O +ATOM 11052 H1 TIP3 8896 15.423 17.969 22.955 0.00 0.00 WT0 H +ATOM 11053 H2 TIP3 8896 14.493 18.449 24.045 0.00 0.00 WT0 H +ATOM 11054 OH2 TIP3 8898 -23.897 -9.227 -16.804 0.00 0.00 WT0 O +ATOM 11055 H1 TIP3 8898 -23.957 -10.117 -16.454 0.00 0.00 WT0 H +ATOM 11056 H2 TIP3 8898 -24.577 -9.197 -17.474 0.00 0.00 WT0 H +ATOM 11057 OH2 TIP3 8903 4.134 -1.379 -0.591 0.00 0.00 WT0 O +ATOM 11058 H1 TIP3 8903 3.864 -1.039 0.259 0.00 0.00 WT0 H +ATOM 11059 H2 TIP3 8903 3.714 -0.789 -1.221 0.00 0.00 WT0 H +ATOM 11060 OH2 TIP3 8904 23.970 -18.641 -0.584 0.00 0.00 WT0 O +ATOM 11061 H1 TIP3 8904 24.180 -18.551 -1.514 0.00 0.00 WT0 H +ATOM 11062 H2 TIP3 8904 24.790 -18.901 -0.174 0.00 0.00 WT0 H +ATOM 11063 OH2 TIP3 8905 -17.743 18.110 -1.371 0.00 0.00 WT0 O +ATOM 11064 H1 TIP3 8905 -17.473 17.490 -2.041 0.00 0.00 WT0 H +ATOM 11065 H2 TIP3 8905 -18.183 18.810 -1.851 0.00 0.00 WT0 H +ATOM 11066 OH2 TIP3 8908 15.323 21.805 -8.828 0.00 0.00 WT0 O +ATOM 11067 H1 TIP3 8908 15.323 22.545 -8.218 0.00 0.00 WT0 H +ATOM 11068 H2 TIP3 8908 15.113 21.045 -8.288 0.00 0.00 WT0 H +ATOM 11069 OH2 TIP3 8918 -3.455 -0.280 14.328 0.00 0.00 WT0 O +ATOM 11070 H1 TIP3 8918 -4.095 -0.810 13.848 0.00 0.00 WT0 H +ATOM 11071 H2 TIP3 8918 -3.975 0.420 14.728 0.00 0.00 WT0 H +ATOM 11072 OH2 TIP3 8919 -17.123 -7.243 21.705 0.00 0.00 WT0 O +ATOM 11073 H1 TIP3 8919 -17.003 -7.623 20.835 0.00 0.00 WT0 H +ATOM 11074 H2 TIP3 8919 -18.023 -6.903 21.685 0.00 0.00 WT0 H +ATOM 11075 OH2 TIP3 8926 -6.595 -10.208 -17.577 0.00 0.00 WT0 O +ATOM 11076 H1 TIP3 8926 -7.005 -10.398 -16.737 0.00 0.00 WT0 H +ATOM 11077 H2 TIP3 8926 -5.715 -10.578 -17.507 0.00 0.00 WT0 H +ATOM 11078 OH2 TIP3 8927 -21.274 -0.622 17.681 0.00 0.00 WT0 O +ATOM 11079 H1 TIP3 8927 -20.514 -0.052 17.771 0.00 0.00 WT0 H +ATOM 11080 H2 TIP3 8927 -21.114 -1.122 16.871 0.00 0.00 WT0 H +ATOM 11081 OH2 TIP3 8928 -1.510 22.513 -9.871 0.00 0.00 WT0 O +ATOM 11082 H1 TIP3 8928 -2.130 21.903 -9.471 0.00 0.00 WT0 H +ATOM 11083 H2 TIP3 8928 -0.770 21.963 -10.121 0.00 0.00 WT0 H +ATOM 11084 OH2 TIP3 8931 -10.226 -0.741 -17.499 0.00 0.00 WT0 O +ATOM 11085 H1 TIP3 8931 -10.876 -0.641 -18.189 0.00 0.00 WT0 H +ATOM 11086 H2 TIP3 8931 -9.596 -0.031 -17.649 0.00 0.00 WT0 H +ATOM 11087 OH2 TIP3 8932 -13.240 3.989 -5.359 0.00 0.00 WT0 O +ATOM 11088 H1 TIP3 8932 -14.060 4.459 -5.169 0.00 0.00 WT0 H +ATOM 11089 H2 TIP3 8932 -12.640 4.669 -5.669 0.00 0.00 WT0 H +ATOM 11090 OH2 TIP3 8935 24.863 6.179 -1.537 0.00 0.00 WT0 O +ATOM 11091 H1 TIP3 8935 25.183 5.619 -2.247 0.00 0.00 WT0 H +ATOM 11092 H2 TIP3 8935 25.513 6.069 -0.837 0.00 0.00 WT0 H +ATOM 11093 OH2 TIP3 8936 -11.809 -0.634 -5.754 0.00 0.00 WT0 O +ATOM 11094 H1 TIP3 8936 -11.469 -1.524 -5.754 0.00 0.00 WT0 H +ATOM 11095 H2 TIP3 8936 -12.319 -0.564 -4.944 0.00 0.00 WT0 H +ATOM 11096 OH2 TIP3 8937 -16.783 -10.102 -20.145 0.00 0.00 WT0 O +ATOM 11097 H1 TIP3 8937 -17.583 -10.222 -19.635 0.00 0.00 WT0 H +ATOM 11098 H2 TIP3 8937 -17.093 -9.832 -21.005 0.00 0.00 WT0 H +ATOM 11099 OH2 TIP3 8938 -10.626 -7.505 13.141 0.00 0.00 WT0 O +ATOM 11100 H1 TIP3 8938 -11.576 -7.505 13.231 0.00 0.00 WT0 H +ATOM 11101 H2 TIP3 8938 -10.296 -7.765 14.001 0.00 0.00 WT0 H +ATOM 11102 OH2 TIP3 8939 3.267 1.608 6.849 0.00 0.00 WT0 O +ATOM 11103 H1 TIP3 8939 2.537 2.158 6.569 0.00 0.00 WT0 H +ATOM 11104 H2 TIP3 8939 3.147 1.508 7.789 0.00 0.00 WT0 H +ATOM 11105 OH2 TIP3 8940 -6.790 -14.142 0.093 0.00 0.00 WT0 O +ATOM 11106 H1 TIP3 8940 -7.300 -13.412 0.453 0.00 0.00 WT0 H +ATOM 11107 H2 TIP3 8940 -6.690 -14.742 0.833 0.00 0.00 WT0 H +ATOM 11108 OH2 TIP3 8949 22.276 -1.859 -8.795 0.00 0.00 WT0 O +ATOM 11109 H1 TIP3 8949 22.216 -1.899 -7.835 0.00 0.00 WT0 H +ATOM 11110 H2 TIP3 8949 21.686 -2.539 -9.105 0.00 0.00 WT0 H +ATOM 11111 OH2 TIP3 8950 8.715 -24.919 8.361 0.00 0.00 WT0 O +ATOM 11112 H1 TIP3 8950 8.945 -25.749 7.931 0.00 0.00 WT0 H +ATOM 11113 H2 TIP3 8950 8.025 -24.549 7.811 0.00 0.00 WT0 H +ATOM 11114 OH2 TIP3 8952 -17.651 20.727 15.801 0.00 0.00 WT0 O +ATOM 11115 H1 TIP3 8952 -17.551 21.077 14.911 0.00 0.00 WT0 H +ATOM 11116 H2 TIP3 8952 -18.341 20.077 15.721 0.00 0.00 WT0 H +ATOM 11117 OH2 TIP3 8954 0.721 6.489 9.575 0.00 0.00 WT0 O +ATOM 11118 H1 TIP3 8954 -0.079 6.319 10.075 0.00 0.00 WT0 H +ATOM 11119 H2 TIP3 8954 0.981 7.379 9.835 0.00 0.00 WT0 H +ATOM 11120 OH2 TIP3 8956 12.583 9.082 -17.221 0.00 0.00 WT0 O +ATOM 11121 H1 TIP3 8956 12.373 8.382 -17.841 0.00 0.00 WT0 H +ATOM 11122 H2 TIP3 8956 12.583 9.882 -17.751 0.00 0.00 WT0 H +ATOM 11123 OH2 TIP3 8959 7.109 7.649 -21.254 0.00 0.00 WT0 O +ATOM 11124 H1 TIP3 8959 7.319 7.889 -20.354 0.00 0.00 WT0 H +ATOM 11125 H2 TIP3 8959 7.869 7.139 -21.544 0.00 0.00 WT0 H +ATOM 11126 OH2 TIP3 8960 -23.734 24.648 -4.162 0.00 0.00 WT0 O +ATOM 11127 H1 TIP3 8960 -24.334 24.168 -4.732 0.00 0.00 WT0 H +ATOM 11128 H2 TIP3 8960 -22.894 24.188 -4.242 0.00 0.00 WT0 H +ATOM 11129 OH2 TIP3 8961 -10.325 2.174 -3.348 0.00 0.00 WT0 O +ATOM 11130 H1 TIP3 8961 -10.245 2.094 -4.298 0.00 0.00 WT0 H +ATOM 11131 H2 TIP3 8961 -9.715 1.524 -2.998 0.00 0.00 WT0 H +ATOM 11132 OH2 TIP3 8962 3.694 1.292 18.992 0.00 0.00 WT0 O +ATOM 11133 H1 TIP3 8962 2.884 0.852 19.262 0.00 0.00 WT0 H +ATOM 11134 H2 TIP3 8962 4.014 0.782 18.252 0.00 0.00 WT0 H +ATOM 11135 OH2 TIP3 8970 -9.409 3.097 -17.122 0.00 0.00 WT0 O +ATOM 11136 H1 TIP3 8970 -9.149 3.907 -16.682 0.00 0.00 WT0 H +ATOM 11137 H2 TIP3 8970 -10.349 3.197 -17.272 0.00 0.00 WT0 H +ATOM 11138 OH2 TIP3 8972 -10.867 21.763 -22.355 0.00 0.00 WT0 O +ATOM 11139 H1 TIP3 8972 -11.777 22.033 -22.265 0.00 0.00 WT0 H +ATOM 11140 H2 TIP3 8972 -10.757 21.583 -23.285 0.00 0.00 WT0 H +ATOM 11141 OH2 TIP3 8973 -21.270 0.563 -9.701 0.00 0.00 WT0 O +ATOM 11142 H1 TIP3 8973 -21.160 0.443 -10.641 0.00 0.00 WT0 H +ATOM 11143 H2 TIP3 8973 -22.210 0.693 -9.581 0.00 0.00 WT0 H +ATOM 11144 OH2 TIP3 8976 2.938 -1.611 -19.051 0.00 0.00 WT0 O +ATOM 11145 H1 TIP3 8976 3.028 -1.201 -19.911 0.00 0.00 WT0 H +ATOM 11146 H2 TIP3 8976 1.998 -1.761 -18.951 0.00 0.00 WT0 H +ATOM 11147 OH2 TIP3 8977 17.226 -1.960 16.047 0.00 0.00 WT0 O +ATOM 11148 H1 TIP3 8977 17.256 -1.210 15.447 0.00 0.00 WT0 H +ATOM 11149 H2 TIP3 8977 18.026 -1.880 16.567 0.00 0.00 WT0 H +ATOM 11150 OH2 TIP3 8978 -1.977 22.472 -23.618 0.00 0.00 WT0 O +ATOM 11151 H1 TIP3 8978 -2.157 23.212 -23.038 0.00 0.00 WT0 H +ATOM 11152 H2 TIP3 8978 -1.867 22.852 -24.488 0.00 0.00 WT0 H +ATOM 11153 OH2 TIP3 8988 -19.314 10.880 13.167 0.00 0.00 WT0 O +ATOM 11154 H1 TIP3 8988 -20.074 10.320 13.277 0.00 0.00 WT0 H +ATOM 11155 H2 TIP3 8988 -18.714 10.620 13.867 0.00 0.00 WT0 H +ATOM 11156 OH2 TIP3 8994 -20.714 19.334 7.273 0.00 0.00 WT0 O +ATOM 11157 H1 TIP3 8994 -19.904 19.844 7.323 0.00 0.00 WT0 H +ATOM 11158 H2 TIP3 8994 -21.124 19.624 6.463 0.00 0.00 WT0 H +ATOM 11159 OH2 TIP3 9013 -15.937 -23.772 18.353 0.00 0.00 WT0 O +ATOM 11160 H1 TIP3 9013 -16.737 -23.572 17.873 0.00 0.00 WT0 H +ATOM 11161 H2 TIP3 9013 -15.407 -22.972 18.283 0.00 0.00 WT0 H +ATOM 11162 OH2 TIP3 9015 9.238 -17.389 23.831 0.00 0.00 WT0 O +ATOM 11163 H1 TIP3 9015 9.178 -17.419 24.781 0.00 0.00 WT0 H +ATOM 11164 H2 TIP3 9015 9.418 -18.289 23.571 0.00 0.00 WT0 H +ATOM 11165 OH2 TIP3 9017 -22.027 8.790 4.046 0.00 0.00 WT0 O +ATOM 11166 H1 TIP3 9017 -22.947 9.020 3.936 0.00 0.00 WT0 H +ATOM 11167 H2 TIP3 9017 -21.687 9.450 4.646 0.00 0.00 WT0 H +ATOM 11168 OH2 TIP3 9022 15.875 -8.158 17.319 0.00 0.00 WT0 O +ATOM 11169 H1 TIP3 9022 16.265 -7.288 17.309 0.00 0.00 WT0 H +ATOM 11170 H2 TIP3 9022 15.265 -8.148 18.059 0.00 0.00 WT0 H +ATOM 11171 OH2 TIP3 9023 -3.541 -6.131 -18.449 0.00 0.00 WT0 O +ATOM 11172 H1 TIP3 9023 -3.111 -6.301 -17.609 0.00 0.00 WT0 H +ATOM 11173 H2 TIP3 9023 -4.481 -6.141 -18.239 0.00 0.00 WT0 H +ATOM 11174 OH2 TIP3 9033 21.485 10.119 12.392 0.00 0.00 WT0 O +ATOM 11175 H1 TIP3 9033 21.405 10.859 11.792 0.00 0.00 WT0 H +ATOM 11176 H2 TIP3 9033 21.895 9.429 11.862 0.00 0.00 WT0 H +ATOM 11177 OH2 TIP3 9034 -0.422 18.338 13.456 0.00 0.00 WT0 O +ATOM 11178 H1 TIP3 9034 -1.112 17.838 13.006 0.00 0.00 WT0 H +ATOM 11179 H2 TIP3 9034 -0.082 17.728 14.106 0.00 0.00 WT0 H +ATOM 11180 OH2 TIP3 9035 18.754 -21.820 -15.889 0.00 0.00 WT0 O +ATOM 11181 H1 TIP3 9035 18.344 -21.140 -15.349 0.00 0.00 WT0 H +ATOM 11182 H2 TIP3 9035 18.574 -22.630 -15.419 0.00 0.00 WT0 H +ATOM 11183 OH2 TIP3 9037 -19.469 -22.510 -3.154 0.00 0.00 WT0 O +ATOM 11184 H1 TIP3 9037 -19.109 -22.820 -3.994 0.00 0.00 WT0 H +ATOM 11185 H2 TIP3 9037 -20.359 -22.230 -3.364 0.00 0.00 WT0 H +ATOM 11186 OH2 TIP3 9039 0.148 -19.347 23.347 0.00 0.00 WT0 O +ATOM 11187 H1 TIP3 9039 0.708 -18.847 23.937 0.00 0.00 WT0 H +ATOM 11188 H2 TIP3 9039 -0.282 -19.987 23.907 0.00 0.00 WT0 H +ATOM 11189 OH2 TIP3 9044 17.609 7.417 3.709 0.00 0.00 WT0 O +ATOM 11190 H1 TIP3 9044 16.739 7.347 4.109 0.00 0.00 WT0 H +ATOM 11191 H2 TIP3 9044 17.549 8.157 3.109 0.00 0.00 WT0 H +ATOM 11192 OH2 TIP3 9045 17.167 -13.991 11.135 0.00 0.00 WT0 O +ATOM 11193 H1 TIP3 9045 16.467 -14.641 11.045 0.00 0.00 WT0 H +ATOM 11194 H2 TIP3 9045 16.837 -13.381 11.795 0.00 0.00 WT0 H +ATOM 11195 OH2 TIP3 9047 -6.464 0.711 -13.656 0.00 0.00 WT0 O +ATOM 11196 H1 TIP3 9047 -6.464 1.201 -12.836 0.00 0.00 WT0 H +ATOM 11197 H2 TIP3 9047 -6.784 1.341 -14.306 0.00 0.00 WT0 H +ATOM 11198 OH2 TIP3 9049 18.520 7.441 -6.878 0.00 0.00 WT0 O +ATOM 11199 H1 TIP3 9049 19.020 8.201 -7.158 0.00 0.00 WT0 H +ATOM 11200 H2 TIP3 9049 18.380 7.561 -5.938 0.00 0.00 WT0 H +ATOM 11201 OH2 TIP3 9054 14.304 -10.415 15.271 0.00 0.00 WT0 O +ATOM 11202 H1 TIP3 9054 13.864 -10.265 16.111 0.00 0.00 WT0 H +ATOM 11203 H2 TIP3 9054 14.664 -9.565 15.031 0.00 0.00 WT0 H +ATOM 11204 OH2 TIP3 9055 -3.556 17.109 21.932 0.00 0.00 WT0 O +ATOM 11205 H1 TIP3 9055 -3.166 16.859 21.092 0.00 0.00 WT0 H +ATOM 11206 H2 TIP3 9055 -2.846 17.029 22.562 0.00 0.00 WT0 H +ATOM 11207 OH2 TIP3 9056 -12.394 -13.193 -14.336 0.00 0.00 WT0 O +ATOM 11208 H1 TIP3 9056 -12.954 -12.863 -15.036 0.00 0.00 WT0 H +ATOM 11209 H2 TIP3 9056 -11.504 -13.153 -14.696 0.00 0.00 WT0 H +ATOM 11210 OH2 TIP3 9058 -23.203 -19.089 19.789 0.00 0.00 WT0 O +ATOM 11211 H1 TIP3 9058 -23.163 -18.139 19.889 0.00 0.00 WT0 H +ATOM 11212 H2 TIP3 9058 -23.283 -19.419 20.689 0.00 0.00 WT0 H +ATOM 11213 OH2 TIP3 9059 -14.669 -18.509 -12.371 0.00 0.00 WT0 O +ATOM 11214 H1 TIP3 9059 -14.529 -18.359 -13.301 0.00 0.00 WT0 H +ATOM 11215 H2 TIP3 9059 -15.099 -19.369 -12.331 0.00 0.00 WT0 H +ATOM 11216 OH2 TIP3 9063 -16.453 5.791 -18.642 0.00 0.00 WT0 O +ATOM 11217 H1 TIP3 9063 -16.073 6.631 -18.912 0.00 0.00 WT0 H +ATOM 11218 H2 TIP3 9063 -15.723 5.311 -18.252 0.00 0.00 WT0 H +ATOM 11219 OH2 TIP3 9079 -2.807 16.735 7.611 0.00 0.00 WT0 O +ATOM 11220 H1 TIP3 9079 -3.677 17.105 7.791 0.00 0.00 WT0 H +ATOM 11221 H2 TIP3 9079 -2.217 17.485 7.681 0.00 0.00 WT0 H +ATOM 11222 OH2 TIP3 9082 -24.530 13.667 -19.384 0.00 0.00 WT0 O +ATOM 11223 H1 TIP3 9082 -23.940 13.247 -20.014 0.00 0.00 WT0 H +ATOM 11224 H2 TIP3 9082 -24.010 13.737 -18.584 0.00 0.00 WT0 H +ATOM 11225 OH2 TIP3 9084 -9.701 9.480 -4.813 0.00 0.00 WT0 O +ATOM 11226 H1 TIP3 9084 -9.721 10.120 -5.523 0.00 0.00 WT0 H +ATOM 11227 H2 TIP3 9084 -9.911 8.640 -5.233 0.00 0.00 WT0 H +ATOM 11228 OH2 TIP3 9085 21.266 -6.843 -5.228 0.00 0.00 WT0 O +ATOM 11229 H1 TIP3 9085 21.646 -7.673 -5.538 0.00 0.00 WT0 H +ATOM 11230 H2 TIP3 9085 21.996 -6.373 -4.848 0.00 0.00 WT0 H +ATOM 11231 OH2 TIP3 9093 -24.897 -4.451 18.666 0.00 0.00 WT0 O +ATOM 11232 H1 TIP3 9093 -25.677 -4.841 19.056 0.00 0.00 WT0 H +ATOM 11233 H2 TIP3 9093 -24.347 -4.221 19.416 0.00 0.00 WT0 H +ATOM 11234 OH2 TIP3 9096 -18.357 21.695 -0.353 0.00 0.00 WT0 O +ATOM 11235 H1 TIP3 9096 -18.787 21.725 -1.213 0.00 0.00 WT0 H +ATOM 11236 H2 TIP3 9096 -17.457 21.975 -0.523 0.00 0.00 WT0 H +ATOM 11237 OH2 TIP3 9097 23.958 14.194 8.811 0.00 0.00 WT0 O +ATOM 11238 H1 TIP3 9097 24.378 13.474 8.351 0.00 0.00 WT0 H +ATOM 11239 H2 TIP3 9097 23.098 14.284 8.401 0.00 0.00 WT0 H +ATOM 11240 OH2 TIP3 9102 5.465 22.557 -14.198 0.00 0.00 WT0 O +ATOM 11241 H1 TIP3 9102 5.345 22.177 -13.318 0.00 0.00 WT0 H +ATOM 11242 H2 TIP3 9102 5.655 21.797 -14.748 0.00 0.00 WT0 H +ATOM 11243 OH2 TIP3 9105 -1.537 -22.860 15.629 0.00 0.00 WT0 O +ATOM 11244 H1 TIP3 9105 -1.137 -23.530 16.189 0.00 0.00 WT0 H +ATOM 11245 H2 TIP3 9105 -1.647 -23.290 14.789 0.00 0.00 WT0 H +ATOM 11246 OH2 TIP3 9109 13.387 19.876 15.445 0.00 0.00 WT0 O +ATOM 11247 H1 TIP3 9109 13.937 19.346 14.865 0.00 0.00 WT0 H +ATOM 11248 H2 TIP3 9109 13.987 20.216 16.095 0.00 0.00 WT0 H +ATOM 11249 OH2 TIP3 9116 10.956 3.198 15.783 0.00 0.00 WT0 O +ATOM 11250 H1 TIP3 9116 10.066 3.218 16.143 0.00 0.00 WT0 H +ATOM 11251 H2 TIP3 9116 10.946 2.468 15.163 0.00 0.00 WT0 H +ATOM 11252 OH2 TIP3 9126 -19.121 7.463 -22.349 0.00 0.00 WT0 O +ATOM 11253 H1 TIP3 9126 -19.131 8.413 -22.379 0.00 0.00 WT0 H +ATOM 11254 H2 TIP3 9126 -18.591 7.203 -23.109 0.00 0.00 WT0 H +ATOM 11255 OH2 TIP3 9127 0.383 10.035 -17.476 0.00 0.00 WT0 O +ATOM 11256 H1 TIP3 9127 0.803 9.925 -16.626 0.00 0.00 WT0 H +ATOM 11257 H2 TIP3 9127 -0.557 10.075 -17.286 0.00 0.00 WT0 H +ATOM 11258 OH2 TIP3 9128 -22.499 -7.314 -18.494 0.00 0.00 WT0 O +ATOM 11259 H1 TIP3 9128 -22.869 -7.594 -19.324 0.00 0.00 WT0 H +ATOM 11260 H2 TIP3 9128 -22.989 -7.794 -17.834 0.00 0.00 WT0 H +ATOM 11261 OH2 TIP3 9129 17.383 -18.620 -11.898 0.00 0.00 WT0 O +ATOM 11262 H1 TIP3 9129 18.233 -18.850 -12.258 0.00 0.00 WT0 H +ATOM 11263 H2 TIP3 9129 17.583 -18.120 -11.098 0.00 0.00 WT0 H +ATOM 11264 OH2 TIP3 9134 4.144 -20.799 3.432 0.00 0.00 WT0 O +ATOM 11265 H1 TIP3 9134 5.024 -21.019 3.132 0.00 0.00 WT0 H +ATOM 11266 H2 TIP3 9134 4.274 -20.379 4.272 0.00 0.00 WT0 H +ATOM 11267 OH2 TIP3 9136 -7.785 -21.042 -16.008 0.00 0.00 WT0 O +ATOM 11268 H1 TIP3 9136 -8.375 -21.182 -16.738 0.00 0.00 WT0 H +ATOM 11269 H2 TIP3 9136 -7.675 -21.912 -15.618 0.00 0.00 WT0 H +ATOM 11270 OH2 TIP3 9144 24.775 -21.073 13.553 0.00 0.00 WT0 O +ATOM 11271 H1 TIP3 9144 25.125 -21.963 13.493 0.00 0.00 WT0 H +ATOM 11272 H2 TIP3 9144 25.535 -20.513 13.683 0.00 0.00 WT0 H +ATOM 11273 OH2 TIP3 9145 0.849 20.413 -18.110 0.00 0.00 WT0 O +ATOM 11274 H1 TIP3 9145 -0.031 20.053 -18.000 0.00 0.00 WT0 H +ATOM 11275 H2 TIP3 9145 0.969 20.483 -19.060 0.00 0.00 WT0 H +ATOM 11276 OH2 TIP3 9161 -11.994 -7.516 6.825 0.00 0.00 WT0 O +ATOM 11277 H1 TIP3 9161 -12.064 -8.066 7.615 0.00 0.00 WT0 H +ATOM 11278 H2 TIP3 9161 -11.104 -7.156 6.875 0.00 0.00 WT0 H +ATOM 11279 OH2 TIP3 9162 -12.701 -7.962 22.590 0.00 0.00 WT0 O +ATOM 11280 H1 TIP3 9162 -12.581 -8.822 23.000 0.00 0.00 WT0 H +ATOM 11281 H2 TIP3 9162 -11.811 -7.652 22.430 0.00 0.00 WT0 H +ATOM 11282 OH2 TIP3 9165 -18.683 5.445 16.526 0.00 0.00 WT0 O +ATOM 11283 H1 TIP3 9165 -19.353 5.015 15.996 0.00 0.00 WT0 H +ATOM 11284 H2 TIP3 9165 -19.093 6.255 16.836 0.00 0.00 WT0 H +ATOM 11285 OH2 TIP3 9181 -14.993 9.555 11.235 0.00 0.00 WT0 O +ATOM 11286 H1 TIP3 9181 -14.793 9.405 12.165 0.00 0.00 WT0 H +ATOM 11287 H2 TIP3 9181 -15.473 10.385 11.225 0.00 0.00 WT0 H +ATOM 11288 OH2 TIP3 9183 -12.582 -13.777 22.123 0.00 0.00 WT0 O +ATOM 11289 H1 TIP3 9183 -12.332 -13.627 21.203 0.00 0.00 WT0 H +ATOM 11290 H2 TIP3 9183 -11.812 -14.207 22.513 0.00 0.00 WT0 H +ATOM 11291 OH2 TIP3 9188 -22.722 -12.151 -13.712 0.00 0.00 WT0 O +ATOM 11292 H1 TIP3 9188 -23.392 -12.751 -14.022 0.00 0.00 WT0 H +ATOM 11293 H2 TIP3 9188 -22.122 -12.061 -14.452 0.00 0.00 WT0 H +ATOM 11294 OH2 TIP3 9189 -6.653 12.270 17.625 0.00 0.00 WT0 O +ATOM 11295 H1 TIP3 9189 -7.203 11.840 16.975 0.00 0.00 WT0 H +ATOM 11296 H2 TIP3 9189 -5.833 11.770 17.615 0.00 0.00 WT0 H +ATOM 11297 OH2 TIP3 9196 8.158 10.250 17.193 0.00 0.00 WT0 O +ATOM 11298 H1 TIP3 9196 7.378 10.660 16.833 0.00 0.00 WT0 H +ATOM 11299 H2 TIP3 9196 7.958 10.100 18.113 0.00 0.00 WT0 H +ATOM 11300 OH2 TIP3 9208 6.304 -19.027 -9.571 0.00 0.00 WT0 O +ATOM 11301 H1 TIP3 9208 5.394 -19.167 -9.821 0.00 0.00 WT0 H +ATOM 11302 H2 TIP3 9208 6.764 -19.797 -9.901 0.00 0.00 WT0 H +ATOM 11303 OH2 TIP3 9212 17.064 24.912 -21.101 0.00 0.00 WT0 O +ATOM 11304 H1 TIP3 9212 17.964 25.002 -21.401 0.00 0.00 WT0 H +ATOM 11305 H2 TIP3 9212 16.914 25.692 -20.561 0.00 0.00 WT0 H +ATOM 11306 OH2 TIP3 9224 -0.407 22.593 1.292 0.00 0.00 WT0 O +ATOM 11307 H1 TIP3 9224 0.173 23.353 1.262 0.00 0.00 WT0 H +ATOM 11308 H2 TIP3 9224 -0.827 22.583 0.432 0.00 0.00 WT0 H +ATOM 11309 OH2 TIP3 9226 0.386 24.137 -14.996 0.00 0.00 WT0 O +ATOM 11310 H1 TIP3 9226 1.226 23.707 -15.176 0.00 0.00 WT0 H +ATOM 11311 H2 TIP3 9226 0.566 24.707 -14.246 0.00 0.00 WT0 H +ATOM 11312 OH2 TIP3 9234 -6.665 10.342 -13.409 0.00 0.00 WT0 O +ATOM 11313 H1 TIP3 9234 -5.965 9.712 -13.229 0.00 0.00 WT0 H +ATOM 11314 H2 TIP3 9234 -7.015 10.562 -12.549 0.00 0.00 WT0 H +ATOM 11315 OH2 TIP3 9235 21.986 -22.869 14.595 0.00 0.00 WT0 O +ATOM 11316 H1 TIP3 9235 21.296 -22.209 14.565 0.00 0.00 WT0 H +ATOM 11317 H2 TIP3 9235 22.776 -22.399 14.325 0.00 0.00 WT0 H +ATOM 11318 OH2 TIP3 9241 25.273 -22.360 -11.930 0.00 0.00 WT0 O +ATOM 11319 H1 TIP3 9241 25.293 -21.420 -12.070 0.00 0.00 WT0 H +ATOM 11320 H2 TIP3 9241 24.653 -22.490 -11.210 0.00 0.00 WT0 H +ATOM 11321 OH2 TIP3 9250 19.041 10.150 -21.658 0.00 0.00 WT0 O +ATOM 11322 H1 TIP3 9250 19.521 9.920 -20.868 0.00 0.00 WT0 H +ATOM 11323 H2 TIP3 9250 18.441 10.840 -21.388 0.00 0.00 WT0 H +TER +ATOM 11324 CLA CLA 9251 20.838 9.237 -3.895 0.00 0.00 I CL +ATOM 11325 CLA CLA 9252 -23.495 -23.667 -18.264 0.00 0.00 I CL +ATOM 11326 CLA CLA 9253 11.536 -3.191 16.869 0.00 0.00 I CL +ATOM 11327 CLA CLA 9254 20.884 1.260 -2.048 0.00 0.00 I CL +ATOM 11328 CLA CLA 9255 12.743 -22.057 -24.460 0.00 0.00 I CL +ATOM 11329 CLA CLA 9256 -18.307 -11.782 12.097 0.00 0.00 I CL +ATOM 11330 CLA CLA 9257 -19.319 -25.060 -19.308 0.00 0.00 I CL +ATOM 11331 CLA CLA 9258 -20.347 -19.248 -4.593 0.00 0.00 I CL +ATOM 11332 CLA CLA 9259 22.489 -18.017 -12.898 0.00 0.00 I CL +ATOM 11333 CLA CLA 9260 -5.954 17.727 17.988 0.00 0.00 I CL +ATOM 11334 SOD SOD 9261 15.134 10.360 0.475 0.00 0.00 I NA +ATOM 11335 SOD SOD 9262 9.668 -14.449 -20.881 0.00 0.00 I NA +ATOM 11336 SOD SOD 9263 -15.335 17.229 -9.520 0.00 0.00 I NA +ATOM 11337 SOD SOD 9264 20.101 2.700 -4.255 0.00 0.00 I NA +ATOM 11338 SOD SOD 9265 -22.731 -23.935 23.584 0.00 0.00 I NA +ATOM 11339 SOD SOD 9266 14.783 -21.218 -19.490 0.00 0.00 I NA +ATOM 11340 SOD SOD 9267 -17.410 -23.239 -13.181 0.00 0.00 I NA +ENDMDL +END diff --git a/adaptivemd/input/e3s2_e1s1p0f1/structure.psf b/adaptivemd/input/e3s2_e1s1p0f1/structure.psf new file mode 100644 index 0000000..fbbda6f --- /dev/null +++ b/adaptivemd/input/e3s2_e1s1p0f1/structure.psf @@ -0,0 +1,17194 @@ +PSF CMAP + + 10 !NTITLE + REMARKS original generated structure x-plor psf file + REMARKS 2 patches were applied to the molecule. + REMARKS topology 0.top_all22star_prot.rtf + REMARKS topology 1.top_water_ions.rtf + REMARKS topology 2.top_all36_prot_arg0.rtf + REMARKS segment P { first ACE; last CT3; auto angles dihedrals } + REMARKS segment WT0 { first NONE; last NONE; auto none } + REMARKS segment I { first NONE; last NONE; auto angles dihedrals } + REMARKS patch CT3 P:39 + REMARKS patch ACE P:1 + + 11340 !NATOM + 1 P 1 MET CAY CT3 -0.270000 12.0110 0 + 2 P 1 MET HY1 HA 0.090000 1.0080 0 + 3 P 1 MET HY2 HA 0.090000 1.0080 0 + 4 P 1 MET HY3 HA 0.090000 1.0080 0 + 5 P 1 MET CY C 0.510000 12.0110 0 + 6 P 1 MET OY O -0.510000 15.9990 0 + 7 P 1 MET N NH1 -0.470000 14.0070 0 + 8 P 1 MET HN H 0.310000 1.0080 0 + 9 P 1 MET CA CT1 0.070000 12.0110 0 + 10 P 1 MET HA HB 0.090000 1.0080 0 + 11 P 1 MET CB CT2 -0.180000 12.0110 0 + 12 P 1 MET HB1 HA 0.090000 1.0080 0 + 13 P 1 MET HB2 HA 0.090000 1.0080 0 + 14 P 1 MET CG CT2 -0.140000 12.0110 0 + 15 P 1 MET HG1 HA 0.090000 1.0080 0 + 16 P 1 MET HG2 HA 0.090000 1.0080 0 + 17 P 1 MET SD S -0.090000 32.0600 0 + 18 P 1 MET CE CT3 -0.220000 12.0110 0 + 19 P 1 MET HE1 HA 0.090000 1.0080 0 + 20 P 1 MET HE2 HA 0.090000 1.0080 0 + 21 P 1 MET HE3 HA 0.090000 1.0080 0 + 22 P 1 MET C C 0.510000 12.0110 0 + 23 P 1 MET O O -0.510000 15.9990 0 + 24 P 2 LYS N NH1 -0.470000 14.0070 0 + 25 P 2 LYS HN H 0.310000 1.0080 0 + 26 P 2 LYS CA CT1 0.070000 12.0110 0 + 27 P 2 LYS HA HB 0.090000 1.0080 0 + 28 P 2 LYS CB CT2 -0.180000 12.0110 0 + 29 P 2 LYS HB1 HA 0.090000 1.0080 0 + 30 P 2 LYS HB2 HA 0.090000 1.0080 0 + 31 P 2 LYS CG CT2 -0.180000 12.0110 0 + 32 P 2 LYS HG1 HA 0.090000 1.0080 0 + 33 P 2 LYS HG2 HA 0.090000 1.0080 0 + 34 P 2 LYS CD CT2 -0.180000 12.0110 0 + 35 P 2 LYS HD1 HA 0.090000 1.0080 0 + 36 P 2 LYS HD2 HA 0.090000 1.0080 0 + 37 P 2 LYS CE CT2 0.210000 12.0110 0 + 38 P 2 LYS HE1 HA 0.050000 1.0080 0 + 39 P 2 LYS HE2 HA 0.050000 1.0080 0 + 40 P 2 LYS NZ NH3 -0.300000 14.0070 0 + 41 P 2 LYS HZ1 HC 0.330000 1.0080 0 + 42 P 2 LYS HZ2 HC 0.330000 1.0080 0 + 43 P 2 LYS HZ3 HC 0.330000 1.0080 0 + 44 P 2 LYS C C 0.510000 12.0110 0 + 45 P 2 LYS O O -0.510000 15.9990 0 + 46 P 3 VAL N NH1 -0.470000 14.0070 0 + 47 P 3 VAL HN H 0.310000 1.0080 0 + 48 P 3 VAL CA CT1 0.070000 12.0110 0 + 49 P 3 VAL HA HB 0.090000 1.0080 0 + 50 P 3 VAL CB CT1 -0.090000 12.0110 0 + 51 P 3 VAL HB HA 0.090000 1.0080 0 + 52 P 3 VAL CG1 CT3 -0.270000 12.0110 0 + 53 P 3 VAL HG11 HA 0.090000 1.0080 0 + 54 P 3 VAL HG12 HA 0.090000 1.0080 0 + 55 P 3 VAL HG13 HA 0.090000 1.0080 0 + 56 P 3 VAL CG2 CT3 -0.270000 12.0110 0 + 57 P 3 VAL HG21 HA 0.090000 1.0080 0 + 58 P 3 VAL HG22 HA 0.090000 1.0080 0 + 59 P 3 VAL HG23 HA 0.090000 1.0080 0 + 60 P 3 VAL C C 0.510000 12.0110 0 + 61 P 3 VAL O O -0.510000 15.9990 0 + 62 P 4 ILE N NH1 -0.470000 14.0070 0 + 63 P 4 ILE HN H 0.310000 1.0080 0 + 64 P 4 ILE CA CT1 0.070000 12.0110 0 + 65 P 4 ILE HA HB 0.090000 1.0080 0 + 66 P 4 ILE CB CT1 -0.090000 12.0110 0 + 67 P 4 ILE HB HA 0.090000 1.0080 0 + 68 P 4 ILE CG2 CT3 -0.270000 12.0110 0 + 69 P 4 ILE HG21 HA 0.090000 1.0080 0 + 70 P 4 ILE HG22 HA 0.090000 1.0080 0 + 71 P 4 ILE HG23 HA 0.090000 1.0080 0 + 72 P 4 ILE CG1 CT2 -0.180000 12.0110 0 + 73 P 4 ILE HG11 HA 0.090000 1.0080 0 + 74 P 4 ILE HG12 HA 0.090000 1.0080 0 + 75 P 4 ILE CD CT3 -0.270000 12.0110 0 + 76 P 4 ILE HD1 HA 0.090000 1.0080 0 + 77 P 4 ILE HD2 HA 0.090000 1.0080 0 + 78 P 4 ILE HD3 HA 0.090000 1.0080 0 + 79 P 4 ILE C C 0.510000 12.0110 0 + 80 P 4 ILE O O -0.510000 15.9990 0 + 81 P 5 PHE N NH1 -0.470000 14.0070 0 + 82 P 5 PHE HN H 0.310000 1.0080 0 + 83 P 5 PHE CA CT1 0.070000 12.0110 0 + 84 P 5 PHE HA HB 0.090000 1.0080 0 + 85 P 5 PHE CB CT2 -0.180000 12.0110 0 + 86 P 5 PHE HB1 HA 0.090000 1.0080 0 + 87 P 5 PHE HB2 HA 0.090000 1.0080 0 + 88 P 5 PHE CG CA 0.000000 12.0110 0 + 89 P 5 PHE CD1 CA -0.115000 12.0110 0 + 90 P 5 PHE HD1 HP 0.115000 1.0080 0 + 91 P 5 PHE CE1 CA -0.115000 12.0110 0 + 92 P 5 PHE HE1 HP 0.115000 1.0080 0 + 93 P 5 PHE CZ CA -0.115000 12.0110 0 + 94 P 5 PHE HZ HP 0.115000 1.0080 0 + 95 P 5 PHE CD2 CA -0.115000 12.0110 0 + 96 P 5 PHE HD2 HP 0.115000 1.0080 0 + 97 P 5 PHE CE2 CA -0.115000 12.0110 0 + 98 P 5 PHE HE2 HP 0.115000 1.0080 0 + 99 P 5 PHE C C 0.510000 12.0110 0 + 100 P 5 PHE O O -0.510000 15.9990 0 + 101 P 6 LEU N NH1 -0.470000 14.0070 0 + 102 P 6 LEU HN H 0.310000 1.0080 0 + 103 P 6 LEU CA CT1 0.070000 12.0110 0 + 104 P 6 LEU HA HB 0.090000 1.0080 0 + 105 P 6 LEU CB CT2 -0.180000 12.0110 0 + 106 P 6 LEU HB1 HA 0.090000 1.0080 0 + 107 P 6 LEU HB2 HA 0.090000 1.0080 0 + 108 P 6 LEU CG CT1 -0.090000 12.0110 0 + 109 P 6 LEU HG HA 0.090000 1.0080 0 + 110 P 6 LEU CD1 CT3 -0.270000 12.0110 0 + 111 P 6 LEU HD11 HA 0.090000 1.0080 0 + 112 P 6 LEU HD12 HA 0.090000 1.0080 0 + 113 P 6 LEU HD13 HA 0.090000 1.0080 0 + 114 P 6 LEU CD2 CT3 -0.270000 12.0110 0 + 115 P 6 LEU HD21 HA 0.090000 1.0080 0 + 116 P 6 LEU HD22 HA 0.090000 1.0080 0 + 117 P 6 LEU HD23 HA 0.090000 1.0080 0 + 118 P 6 LEU C C 0.510000 12.0110 0 + 119 P 6 LEU O O -0.510000 15.9990 0 + 120 P 7 LYS N NH1 -0.470000 14.0070 0 + 121 P 7 LYS HN H 0.310000 1.0080 0 + 122 P 7 LYS CA CT1 0.070000 12.0110 0 + 123 P 7 LYS HA HB 0.090000 1.0080 0 + 124 P 7 LYS CB CT2 -0.180000 12.0110 0 + 125 P 7 LYS HB1 HA 0.090000 1.0080 0 + 126 P 7 LYS HB2 HA 0.090000 1.0080 0 + 127 P 7 LYS CG CT2 -0.180000 12.0110 0 + 128 P 7 LYS HG1 HA 0.090000 1.0080 0 + 129 P 7 LYS HG2 HA 0.090000 1.0080 0 + 130 P 7 LYS CD CT2 -0.180000 12.0110 0 + 131 P 7 LYS HD1 HA 0.090000 1.0080 0 + 132 P 7 LYS HD2 HA 0.090000 1.0080 0 + 133 P 7 LYS CE CT2 0.210000 12.0110 0 + 134 P 7 LYS HE1 HA 0.050000 1.0080 0 + 135 P 7 LYS HE2 HA 0.050000 1.0080 0 + 136 P 7 LYS NZ NH3 -0.300000 14.0070 0 + 137 P 7 LYS HZ1 HC 0.330000 1.0080 0 + 138 P 7 LYS HZ2 HC 0.330000 1.0080 0 + 139 P 7 LYS HZ3 HC 0.330000 1.0080 0 + 140 P 7 LYS C C 0.510000 12.0110 0 + 141 P 7 LYS O O -0.510000 15.9990 0 + 142 P 8 ASP N NH1 -0.470000 14.0070 0 + 143 P 8 ASP HN H 0.310000 1.0080 0 + 144 P 8 ASP CA CT1 0.070000 12.0110 0 + 145 P 8 ASP HA HB 0.090000 1.0080 0 + 146 P 8 ASP CB CT2 -0.280000 12.0110 0 + 147 P 8 ASP HB1 HA 0.050000 1.0080 0 + 148 P 8 ASP HB2 HA 0.050000 1.0080 0 + 149 P 8 ASP CG CC 0.560000 12.0110 0 + 150 P 8 ASP OD1 OC -0.690000 15.9990 0 + 151 P 8 ASP OD2 OC -0.690000 15.9990 0 + 152 P 8 ASP C C 0.510000 12.0110 0 + 153 P 8 ASP O O -0.510000 15.9990 0 + 154 P 9 VAL N NH1 -0.470000 14.0070 0 + 155 P 9 VAL HN H 0.310000 1.0080 0 + 156 P 9 VAL CA CT1 0.070000 12.0110 0 + 157 P 9 VAL HA HB 0.090000 1.0080 0 + 158 P 9 VAL CB CT1 -0.090000 12.0110 0 + 159 P 9 VAL HB HA 0.090000 1.0080 0 + 160 P 9 VAL CG1 CT3 -0.270000 12.0110 0 + 161 P 9 VAL HG11 HA 0.090000 1.0080 0 + 162 P 9 VAL HG12 HA 0.090000 1.0080 0 + 163 P 9 VAL HG13 HA 0.090000 1.0080 0 + 164 P 9 VAL CG2 CT3 -0.270000 12.0110 0 + 165 P 9 VAL HG21 HA 0.090000 1.0080 0 + 166 P 9 VAL HG22 HA 0.090000 1.0080 0 + 167 P 9 VAL HG23 HA 0.090000 1.0080 0 + 168 P 9 VAL C C 0.510000 12.0110 0 + 169 P 9 VAL O O -0.510000 15.9990 0 + 170 P 10 LYS N NH1 -0.470000 14.0070 0 + 171 P 10 LYS HN H 0.310000 1.0080 0 + 172 P 10 LYS CA CT1 0.070000 12.0110 0 + 173 P 10 LYS HA HB 0.090000 1.0080 0 + 174 P 10 LYS CB CT2 -0.180000 12.0110 0 + 175 P 10 LYS HB1 HA 0.090000 1.0080 0 + 176 P 10 LYS HB2 HA 0.090000 1.0080 0 + 177 P 10 LYS CG CT2 -0.180000 12.0110 0 + 178 P 10 LYS HG1 HA 0.090000 1.0080 0 + 179 P 10 LYS HG2 HA 0.090000 1.0080 0 + 180 P 10 LYS CD CT2 -0.180000 12.0110 0 + 181 P 10 LYS HD1 HA 0.090000 1.0080 0 + 182 P 10 LYS HD2 HA 0.090000 1.0080 0 + 183 P 10 LYS CE CT2 0.210000 12.0110 0 + 184 P 10 LYS HE1 HA 0.050000 1.0080 0 + 185 P 10 LYS HE2 HA 0.050000 1.0080 0 + 186 P 10 LYS NZ NH3 -0.300000 14.0070 0 + 187 P 10 LYS HZ1 HC 0.330000 1.0080 0 + 188 P 10 LYS HZ2 HC 0.330000 1.0080 0 + 189 P 10 LYS HZ3 HC 0.330000 1.0080 0 + 190 P 10 LYS C C 0.510000 12.0110 0 + 191 P 10 LYS O O -0.510000 15.9990 0 + 192 P 11 GLY N NH1 -0.470000 14.0070 0 + 193 P 11 GLY HN H 0.310000 1.0080 0 + 194 P 11 GLY CA CT2 -0.020000 12.0110 0 + 195 P 11 GLY HA1 HB 0.090000 1.0080 0 + 196 P 11 GLY HA2 HB 0.090000 1.0080 0 + 197 P 11 GLY C C 0.510000 12.0110 0 + 198 P 11 GLY O O -0.510000 15.9990 0 + 199 P 12 MET N NH1 -0.470000 14.0070 0 + 200 P 12 MET HN H 0.310000 1.0080 0 + 201 P 12 MET CA CT1 0.070000 12.0110 0 + 202 P 12 MET HA HB 0.090000 1.0080 0 + 203 P 12 MET CB CT2 -0.180000 12.0110 0 + 204 P 12 MET HB1 HA 0.090000 1.0080 0 + 205 P 12 MET HB2 HA 0.090000 1.0080 0 + 206 P 12 MET CG CT2 -0.140000 12.0110 0 + 207 P 12 MET HG1 HA 0.090000 1.0080 0 + 208 P 12 MET HG2 HA 0.090000 1.0080 0 + 209 P 12 MET SD S -0.090000 32.0600 0 + 210 P 12 MET CE CT3 -0.220000 12.0110 0 + 211 P 12 MET HE1 HA 0.090000 1.0080 0 + 212 P 12 MET HE2 HA 0.090000 1.0080 0 + 213 P 12 MET HE3 HA 0.090000 1.0080 0 + 214 P 12 MET C C 0.510000 12.0110 0 + 215 P 12 MET O O -0.510000 15.9990 0 + 216 P 13 GLY N NH1 -0.470000 14.0070 0 + 217 P 13 GLY HN H 0.310000 1.0080 0 + 218 P 13 GLY CA CT2 -0.020000 12.0110 0 + 219 P 13 GLY HA1 HB 0.090000 1.0080 0 + 220 P 13 GLY HA2 HB 0.090000 1.0080 0 + 221 P 13 GLY C C 0.510000 12.0110 0 + 222 P 13 GLY O O -0.510000 15.9990 0 + 223 P 14 LYS N NH1 -0.470000 14.0070 0 + 224 P 14 LYS HN H 0.310000 1.0080 0 + 225 P 14 LYS CA CT1 0.070000 12.0110 0 + 226 P 14 LYS HA HB 0.090000 1.0080 0 + 227 P 14 LYS CB CT2 -0.180000 12.0110 0 + 228 P 14 LYS HB1 HA 0.090000 1.0080 0 + 229 P 14 LYS HB2 HA 0.090000 1.0080 0 + 230 P 14 LYS CG CT2 -0.180000 12.0110 0 + 231 P 14 LYS HG1 HA 0.090000 1.0080 0 + 232 P 14 LYS HG2 HA 0.090000 1.0080 0 + 233 P 14 LYS CD CT2 -0.180000 12.0110 0 + 234 P 14 LYS HD1 HA 0.090000 1.0080 0 + 235 P 14 LYS HD2 HA 0.090000 1.0080 0 + 236 P 14 LYS CE CT2 0.210000 12.0110 0 + 237 P 14 LYS HE1 HA 0.050000 1.0080 0 + 238 P 14 LYS HE2 HA 0.050000 1.0080 0 + 239 P 14 LYS NZ NH3 -0.300000 14.0070 0 + 240 P 14 LYS HZ1 HC 0.330000 1.0080 0 + 241 P 14 LYS HZ2 HC 0.330000 1.0080 0 + 242 P 14 LYS HZ3 HC 0.330000 1.0080 0 + 243 P 14 LYS C C 0.510000 12.0110 0 + 244 P 14 LYS O O -0.510000 15.9990 0 + 245 P 15 LYS N NH1 -0.470000 14.0070 0 + 246 P 15 LYS HN H 0.310000 1.0080 0 + 247 P 15 LYS CA CT1 0.070000 12.0110 0 + 248 P 15 LYS HA HB 0.090000 1.0080 0 + 249 P 15 LYS CB CT2 -0.180000 12.0110 0 + 250 P 15 LYS HB1 HA 0.090000 1.0080 0 + 251 P 15 LYS HB2 HA 0.090000 1.0080 0 + 252 P 15 LYS CG CT2 -0.180000 12.0110 0 + 253 P 15 LYS HG1 HA 0.090000 1.0080 0 + 254 P 15 LYS HG2 HA 0.090000 1.0080 0 + 255 P 15 LYS CD CT2 -0.180000 12.0110 0 + 256 P 15 LYS HD1 HA 0.090000 1.0080 0 + 257 P 15 LYS HD2 HA 0.090000 1.0080 0 + 258 P 15 LYS CE CT2 0.210000 12.0110 0 + 259 P 15 LYS HE1 HA 0.050000 1.0080 0 + 260 P 15 LYS HE2 HA 0.050000 1.0080 0 + 261 P 15 LYS NZ NH3 -0.300000 14.0070 0 + 262 P 15 LYS HZ1 HC 0.330000 1.0080 0 + 263 P 15 LYS HZ2 HC 0.330000 1.0080 0 + 264 P 15 LYS HZ3 HC 0.330000 1.0080 0 + 265 P 15 LYS C C 0.510000 12.0110 0 + 266 P 15 LYS O O -0.510000 15.9990 0 + 267 P 16 GLY N NH1 -0.470000 14.0070 0 + 268 P 16 GLY HN H 0.310000 1.0080 0 + 269 P 16 GLY CA CT2 -0.020000 12.0110 0 + 270 P 16 GLY HA1 HB 0.090000 1.0080 0 + 271 P 16 GLY HA2 HB 0.090000 1.0080 0 + 272 P 16 GLY C C 0.510000 12.0110 0 + 273 P 16 GLY O O -0.510000 15.9990 0 + 274 P 17 GLU N NH1 -0.470000 14.0070 0 + 275 P 17 GLU HN H 0.310000 1.0080 0 + 276 P 17 GLU CA CT1 0.070000 12.0110 0 + 277 P 17 GLU HA HB 0.090000 1.0080 0 + 278 P 17 GLU CB CT2 -0.180000 12.0110 0 + 279 P 17 GLU HB1 HA 0.090000 1.0080 0 + 280 P 17 GLU HB2 HA 0.090000 1.0080 0 + 281 P 17 GLU CG CT2 -0.280000 12.0110 0 + 282 P 17 GLU HG1 HA 0.050000 1.0080 0 + 283 P 17 GLU HG2 HA 0.050000 1.0080 0 + 284 P 17 GLU CD CC 0.560000 12.0110 0 + 285 P 17 GLU OE1 OC -0.690000 15.9990 0 + 286 P 17 GLU OE2 OC -0.690000 15.9990 0 + 287 P 17 GLU C C 0.510000 12.0110 0 + 288 P 17 GLU O O -0.510000 15.9990 0 + 289 P 18 ILE N NH1 -0.470000 14.0070 0 + 290 P 18 ILE HN H 0.310000 1.0080 0 + 291 P 18 ILE CA CT1 0.070000 12.0110 0 + 292 P 18 ILE HA HB 0.090000 1.0080 0 + 293 P 18 ILE CB CT1 -0.090000 12.0110 0 + 294 P 18 ILE HB HA 0.090000 1.0080 0 + 295 P 18 ILE CG2 CT3 -0.270000 12.0110 0 + 296 P 18 ILE HG21 HA 0.090000 1.0080 0 + 297 P 18 ILE HG22 HA 0.090000 1.0080 0 + 298 P 18 ILE HG23 HA 0.090000 1.0080 0 + 299 P 18 ILE CG1 CT2 -0.180000 12.0110 0 + 300 P 18 ILE HG11 HA 0.090000 1.0080 0 + 301 P 18 ILE HG12 HA 0.090000 1.0080 0 + 302 P 18 ILE CD CT3 -0.270000 12.0110 0 + 303 P 18 ILE HD1 HA 0.090000 1.0080 0 + 304 P 18 ILE HD2 HA 0.090000 1.0080 0 + 305 P 18 ILE HD3 HA 0.090000 1.0080 0 + 306 P 18 ILE C C 0.510000 12.0110 0 + 307 P 18 ILE O O -0.510000 15.9990 0 + 308 P 19 LYS N NH1 -0.470000 14.0070 0 + 309 P 19 LYS HN H 0.310000 1.0080 0 + 310 P 19 LYS CA CT1 0.070000 12.0110 0 + 311 P 19 LYS HA HB 0.090000 1.0080 0 + 312 P 19 LYS CB CT2 -0.180000 12.0110 0 + 313 P 19 LYS HB1 HA 0.090000 1.0080 0 + 314 P 19 LYS HB2 HA 0.090000 1.0080 0 + 315 P 19 LYS CG CT2 -0.180000 12.0110 0 + 316 P 19 LYS HG1 HA 0.090000 1.0080 0 + 317 P 19 LYS HG2 HA 0.090000 1.0080 0 + 318 P 19 LYS CD CT2 -0.180000 12.0110 0 + 319 P 19 LYS HD1 HA 0.090000 1.0080 0 + 320 P 19 LYS HD2 HA 0.090000 1.0080 0 + 321 P 19 LYS CE CT2 0.210000 12.0110 0 + 322 P 19 LYS HE1 HA 0.050000 1.0080 0 + 323 P 19 LYS HE2 HA 0.050000 1.0080 0 + 324 P 19 LYS NZ NH3 -0.300000 14.0070 0 + 325 P 19 LYS HZ1 HC 0.330000 1.0080 0 + 326 P 19 LYS HZ2 HC 0.330000 1.0080 0 + 327 P 19 LYS HZ3 HC 0.330000 1.0080 0 + 328 P 19 LYS C C 0.510000 12.0110 0 + 329 P 19 LYS O O -0.510000 15.9990 0 + 330 P 20 ASN N NH1 -0.470000 14.0070 0 + 331 P 20 ASN HN H 0.310000 1.0080 0 + 332 P 20 ASN CA CT1 0.070000 12.0110 0 + 333 P 20 ASN HA HB 0.090000 1.0080 0 + 334 P 20 ASN CB CT2 -0.180000 12.0110 0 + 335 P 20 ASN HB1 HA 0.090000 1.0080 0 + 336 P 20 ASN HB2 HA 0.090000 1.0080 0 + 337 P 20 ASN CG CC 0.550000 12.0110 0 + 338 P 20 ASN OD1 O -0.550000 15.9990 0 + 339 P 20 ASN ND2 NH2 -0.620000 14.0070 0 + 340 P 20 ASN HD21 H 0.320000 1.0080 0 + 341 P 20 ASN HD22 H 0.300000 1.0080 0 + 342 P 20 ASN C C 0.510000 12.0110 0 + 343 P 20 ASN O O -0.510000 15.9990 0 + 344 P 21 VAL N NH1 -0.470000 14.0070 0 + 345 P 21 VAL HN H 0.310000 1.0080 0 + 346 P 21 VAL CA CT1 0.070000 12.0110 0 + 347 P 21 VAL HA HB 0.090000 1.0080 0 + 348 P 21 VAL CB CT1 -0.090000 12.0110 0 + 349 P 21 VAL HB HA 0.090000 1.0080 0 + 350 P 21 VAL CG1 CT3 -0.270000 12.0110 0 + 351 P 21 VAL HG11 HA 0.090000 1.0080 0 + 352 P 21 VAL HG12 HA 0.090000 1.0080 0 + 353 P 21 VAL HG13 HA 0.090000 1.0080 0 + 354 P 21 VAL CG2 CT3 -0.270000 12.0110 0 + 355 P 21 VAL HG21 HA 0.090000 1.0080 0 + 356 P 21 VAL HG22 HA 0.090000 1.0080 0 + 357 P 21 VAL HG23 HA 0.090000 1.0080 0 + 358 P 21 VAL C C 0.510000 12.0110 0 + 359 P 21 VAL O O -0.510000 15.9990 0 + 360 P 22 ALA N NH1 -0.470000 14.0070 0 + 361 P 22 ALA HN H 0.310000 1.0080 0 + 362 P 22 ALA CA CT1 0.070000 12.0110 0 + 363 P 22 ALA HA HB 0.090000 1.0080 0 + 364 P 22 ALA CB CT3 -0.270000 12.0110 0 + 365 P 22 ALA HB1 HA 0.090000 1.0080 0 + 366 P 22 ALA HB2 HA 0.090000 1.0080 0 + 367 P 22 ALA HB3 HA 0.090000 1.0080 0 + 368 P 22 ALA C C 0.510000 12.0110 0 + 369 P 22 ALA O O -0.510000 15.9990 0 + 370 P 23 ASP N NH1 -0.470000 14.0070 0 + 371 P 23 ASP HN H 0.310000 1.0080 0 + 372 P 23 ASP CA CT1 0.070000 12.0110 0 + 373 P 23 ASP HA HB 0.090000 1.0080 0 + 374 P 23 ASP CB CT2 -0.280000 12.0110 0 + 375 P 23 ASP HB1 HA 0.050000 1.0080 0 + 376 P 23 ASP HB2 HA 0.050000 1.0080 0 + 377 P 23 ASP CG CC 0.560000 12.0110 0 + 378 P 23 ASP OD1 OC -0.690000 15.9990 0 + 379 P 23 ASP OD2 OC -0.690000 15.9990 0 + 380 P 23 ASP C C 0.510000 12.0110 0 + 381 P 23 ASP O O -0.510000 15.9990 0 + 382 P 24 GLY N NH1 -0.470000 14.0070 0 + 383 P 24 GLY HN H 0.310000 1.0080 0 + 384 P 24 GLY CA CT2 -0.020000 12.0110 0 + 385 P 24 GLY HA1 HB 0.090000 1.0080 0 + 386 P 24 GLY HA2 HB 0.090000 1.0080 0 + 387 P 24 GLY C C 0.510000 12.0110 0 + 388 P 24 GLY O O -0.510000 15.9990 0 + 389 P 25 TYR N NH1 -0.470000 14.0070 0 + 390 P 25 TYR HN H 0.310000 1.0080 0 + 391 P 25 TYR CA CT1 0.070000 12.0110 0 + 392 P 25 TYR HA HB 0.090000 1.0080 0 + 393 P 25 TYR CB CT2 -0.180000 12.0110 0 + 394 P 25 TYR HB1 HA 0.090000 1.0080 0 + 395 P 25 TYR HB2 HA 0.090000 1.0080 0 + 396 P 25 TYR CG CA 0.000000 12.0110 0 + 397 P 25 TYR CD1 CA -0.115000 12.0110 0 + 398 P 25 TYR HD1 HP 0.115000 1.0080 0 + 399 P 25 TYR CE1 CA -0.115000 12.0110 0 + 400 P 25 TYR HE1 HP 0.115000 1.0080 0 + 401 P 25 TYR CZ CA 0.110000 12.0110 0 + 402 P 25 TYR OH OH1 -0.540000 15.9990 0 + 403 P 25 TYR HH H 0.430000 1.0080 0 + 404 P 25 TYR CD2 CA -0.115000 12.0110 0 + 405 P 25 TYR HD2 HP 0.115000 1.0080 0 + 406 P 25 TYR CE2 CA -0.115000 12.0110 0 + 407 P 25 TYR HE2 HP 0.115000 1.0080 0 + 408 P 25 TYR C C 0.510000 12.0110 0 + 409 P 25 TYR O O -0.510000 15.9990 0 + 410 P 26 ALA N NH1 -0.470000 14.0070 0 + 411 P 26 ALA HN H 0.310000 1.0080 0 + 412 P 26 ALA CA CT1 0.070000 12.0110 0 + 413 P 26 ALA HA HB 0.090000 1.0080 0 + 414 P 26 ALA CB CT3 -0.270000 12.0110 0 + 415 P 26 ALA HB1 HA 0.090000 1.0080 0 + 416 P 26 ALA HB2 HA 0.090000 1.0080 0 + 417 P 26 ALA HB3 HA 0.090000 1.0080 0 + 418 P 26 ALA C C 0.510000 12.0110 0 + 419 P 26 ALA O O -0.510000 15.9990 0 + 420 P 27 ASN N NH1 -0.470000 14.0070 0 + 421 P 27 ASN HN H 0.310000 1.0080 0 + 422 P 27 ASN CA CT1 0.070000 12.0110 0 + 423 P 27 ASN HA HB 0.090000 1.0080 0 + 424 P 27 ASN CB CT2 -0.180000 12.0110 0 + 425 P 27 ASN HB1 HA 0.090000 1.0080 0 + 426 P 27 ASN HB2 HA 0.090000 1.0080 0 + 427 P 27 ASN CG CC 0.550000 12.0110 0 + 428 P 27 ASN OD1 O -0.550000 15.9990 0 + 429 P 27 ASN ND2 NH2 -0.620000 14.0070 0 + 430 P 27 ASN HD21 H 0.320000 1.0080 0 + 431 P 27 ASN HD22 H 0.300000 1.0080 0 + 432 P 27 ASN C C 0.510000 12.0110 0 + 433 P 27 ASN O O -0.510000 15.9990 0 + 434 P 28 ASN N NH1 -0.470000 14.0070 0 + 435 P 28 ASN HN H 0.310000 1.0080 0 + 436 P 28 ASN CA CT1 0.070000 12.0110 0 + 437 P 28 ASN HA HB 0.090000 1.0080 0 + 438 P 28 ASN CB CT2 -0.180000 12.0110 0 + 439 P 28 ASN HB1 HA 0.090000 1.0080 0 + 440 P 28 ASN HB2 HA 0.090000 1.0080 0 + 441 P 28 ASN CG CC 0.550000 12.0110 0 + 442 P 28 ASN OD1 O -0.550000 15.9990 0 + 443 P 28 ASN ND2 NH2 -0.620000 14.0070 0 + 444 P 28 ASN HD21 H 0.320000 1.0080 0 + 445 P 28 ASN HD22 H 0.300000 1.0080 0 + 446 P 28 ASN C C 0.510000 12.0110 0 + 447 P 28 ASN O O -0.510000 15.9990 0 + 448 P 29 PHE N NH1 -0.470000 14.0070 0 + 449 P 29 PHE HN H 0.310000 1.0080 0 + 450 P 29 PHE CA CT1 0.070000 12.0110 0 + 451 P 29 PHE HA HB 0.090000 1.0080 0 + 452 P 29 PHE CB CT2 -0.180000 12.0110 0 + 453 P 29 PHE HB1 HA 0.090000 1.0080 0 + 454 P 29 PHE HB2 HA 0.090000 1.0080 0 + 455 P 29 PHE CG CA 0.000000 12.0110 0 + 456 P 29 PHE CD1 CA -0.115000 12.0110 0 + 457 P 29 PHE HD1 HP 0.115000 1.0080 0 + 458 P 29 PHE CE1 CA -0.115000 12.0110 0 + 459 P 29 PHE HE1 HP 0.115000 1.0080 0 + 460 P 29 PHE CZ CA -0.115000 12.0110 0 + 461 P 29 PHE HZ HP 0.115000 1.0080 0 + 462 P 29 PHE CD2 CA -0.115000 12.0110 0 + 463 P 29 PHE HD2 HP 0.115000 1.0080 0 + 464 P 29 PHE CE2 CA -0.115000 12.0110 0 + 465 P 29 PHE HE2 HP 0.115000 1.0080 0 + 466 P 29 PHE C C 0.510000 12.0110 0 + 467 P 29 PHE O O -0.510000 15.9990 0 + 468 P 30 LEU N NH1 -0.470000 14.0070 0 + 469 P 30 LEU HN H 0.310000 1.0080 0 + 470 P 30 LEU CA CT1 0.070000 12.0110 0 + 471 P 30 LEU HA HB 0.090000 1.0080 0 + 472 P 30 LEU CB CT2 -0.180000 12.0110 0 + 473 P 30 LEU HB1 HA 0.090000 1.0080 0 + 474 P 30 LEU HB2 HA 0.090000 1.0080 0 + 475 P 30 LEU CG CT1 -0.090000 12.0110 0 + 476 P 30 LEU HG HA 0.090000 1.0080 0 + 477 P 30 LEU CD1 CT3 -0.270000 12.0110 0 + 478 P 30 LEU HD11 HA 0.090000 1.0080 0 + 479 P 30 LEU HD12 HA 0.090000 1.0080 0 + 480 P 30 LEU HD13 HA 0.090000 1.0080 0 + 481 P 30 LEU CD2 CT3 -0.270000 12.0110 0 + 482 P 30 LEU HD21 HA 0.090000 1.0080 0 + 483 P 30 LEU HD22 HA 0.090000 1.0080 0 + 484 P 30 LEU HD23 HA 0.090000 1.0080 0 + 485 P 30 LEU C C 0.510000 12.0110 0 + 486 P 30 LEU O O -0.510000 15.9990 0 + 487 P 31 PHE N NH1 -0.470000 14.0070 0 + 488 P 31 PHE HN H 0.310000 1.0080 0 + 489 P 31 PHE CA CT1 0.070000 12.0110 0 + 490 P 31 PHE HA HB 0.090000 1.0080 0 + 491 P 31 PHE CB CT2 -0.180000 12.0110 0 + 492 P 31 PHE HB1 HA 0.090000 1.0080 0 + 493 P 31 PHE HB2 HA 0.090000 1.0080 0 + 494 P 31 PHE CG CA 0.000000 12.0110 0 + 495 P 31 PHE CD1 CA -0.115000 12.0110 0 + 496 P 31 PHE HD1 HP 0.115000 1.0080 0 + 497 P 31 PHE CE1 CA -0.115000 12.0110 0 + 498 P 31 PHE HE1 HP 0.115000 1.0080 0 + 499 P 31 PHE CZ CA -0.115000 12.0110 0 + 500 P 31 PHE HZ HP 0.115000 1.0080 0 + 501 P 31 PHE CD2 CA -0.115000 12.0110 0 + 502 P 31 PHE HD2 HP 0.115000 1.0080 0 + 503 P 31 PHE CE2 CA -0.115000 12.0110 0 + 504 P 31 PHE HE2 HP 0.115000 1.0080 0 + 505 P 31 PHE C C 0.510000 12.0110 0 + 506 P 31 PHE O O -0.510000 15.9990 0 + 507 P 32 LYS N NH1 -0.470000 14.0070 0 + 508 P 32 LYS HN H 0.310000 1.0080 0 + 509 P 32 LYS CA CT1 0.070000 12.0110 0 + 510 P 32 LYS HA HB 0.090000 1.0080 0 + 511 P 32 LYS CB CT2 -0.180000 12.0110 0 + 512 P 32 LYS HB1 HA 0.090000 1.0080 0 + 513 P 32 LYS HB2 HA 0.090000 1.0080 0 + 514 P 32 LYS CG CT2 -0.180000 12.0110 0 + 515 P 32 LYS HG1 HA 0.090000 1.0080 0 + 516 P 32 LYS HG2 HA 0.090000 1.0080 0 + 517 P 32 LYS CD CT2 -0.180000 12.0110 0 + 518 P 32 LYS HD1 HA 0.090000 1.0080 0 + 519 P 32 LYS HD2 HA 0.090000 1.0080 0 + 520 P 32 LYS CE CT2 0.210000 12.0110 0 + 521 P 32 LYS HE1 HA 0.050000 1.0080 0 + 522 P 32 LYS HE2 HA 0.050000 1.0080 0 + 523 P 32 LYS NZ NH3 -0.300000 14.0070 0 + 524 P 32 LYS HZ1 HC 0.330000 1.0080 0 + 525 P 32 LYS HZ2 HC 0.330000 1.0080 0 + 526 P 32 LYS HZ3 HC 0.330000 1.0080 0 + 527 P 32 LYS C C 0.510000 12.0110 0 + 528 P 32 LYS O O -0.510000 15.9990 0 + 529 P 33 GLN N NH1 -0.470000 14.0070 0 + 530 P 33 GLN HN H 0.310000 1.0080 0 + 531 P 33 GLN CA CT1 0.070000 12.0110 0 + 532 P 33 GLN HA HB 0.090000 1.0080 0 + 533 P 33 GLN CB CT2 -0.180000 12.0110 0 + 534 P 33 GLN HB1 HA 0.090000 1.0080 0 + 535 P 33 GLN HB2 HA 0.090000 1.0080 0 + 536 P 33 GLN CG CT2 -0.180000 12.0110 0 + 537 P 33 GLN HG1 HA 0.090000 1.0080 0 + 538 P 33 GLN HG2 HA 0.090000 1.0080 0 + 539 P 33 GLN CD CC 0.550000 12.0110 0 + 540 P 33 GLN OE1 O -0.550000 15.9990 0 + 541 P 33 GLN NE2 NH2 -0.620000 14.0070 0 + 542 P 33 GLN HE21 H 0.320000 1.0080 0 + 543 P 33 GLN HE22 H 0.300000 1.0080 0 + 544 P 33 GLN C C 0.510000 12.0110 0 + 545 P 33 GLN O O -0.510000 15.9990 0 + 546 P 34 GLY N NH1 -0.470000 14.0070 0 + 547 P 34 GLY HN H 0.310000 1.0080 0 + 548 P 34 GLY CA CT2 -0.020000 12.0110 0 + 549 P 34 GLY HA1 HB 0.090000 1.0080 0 + 550 P 34 GLY HA2 HB 0.090000 1.0080 0 + 551 P 34 GLY C C 0.510000 12.0110 0 + 552 P 34 GLY O O -0.510000 15.9990 0 + 553 P 35 LEU N NH1 -0.470000 14.0070 0 + 554 P 35 LEU HN H 0.310000 1.0080 0 + 555 P 35 LEU CA CT1 0.070000 12.0110 0 + 556 P 35 LEU HA HB 0.090000 1.0080 0 + 557 P 35 LEU CB CT2 -0.180000 12.0110 0 + 558 P 35 LEU HB1 HA 0.090000 1.0080 0 + 559 P 35 LEU HB2 HA 0.090000 1.0080 0 + 560 P 35 LEU CG CT1 -0.090000 12.0110 0 + 561 P 35 LEU HG HA 0.090000 1.0080 0 + 562 P 35 LEU CD1 CT3 -0.270000 12.0110 0 + 563 P 35 LEU HD11 HA 0.090000 1.0080 0 + 564 P 35 LEU HD12 HA 0.090000 1.0080 0 + 565 P 35 LEU HD13 HA 0.090000 1.0080 0 + 566 P 35 LEU CD2 CT3 -0.270000 12.0110 0 + 567 P 35 LEU HD21 HA 0.090000 1.0080 0 + 568 P 35 LEU HD22 HA 0.090000 1.0080 0 + 569 P 35 LEU HD23 HA 0.090000 1.0080 0 + 570 P 35 LEU C C 0.510000 12.0110 0 + 571 P 35 LEU O O -0.510000 15.9990 0 + 572 P 36 ALA N NH1 -0.470000 14.0070 0 + 573 P 36 ALA HN H 0.310000 1.0080 0 + 574 P 36 ALA CA CT1 0.070000 12.0110 0 + 575 P 36 ALA HA HB 0.090000 1.0080 0 + 576 P 36 ALA CB CT3 -0.270000 12.0110 0 + 577 P 36 ALA HB1 HA 0.090000 1.0080 0 + 578 P 36 ALA HB2 HA 0.090000 1.0080 0 + 579 P 36 ALA HB3 HA 0.090000 1.0080 0 + 580 P 36 ALA C C 0.510000 12.0110 0 + 581 P 36 ALA O O -0.510000 15.9990 0 + 582 P 37 ILE N NH1 -0.470000 14.0070 0 + 583 P 37 ILE HN H 0.310000 1.0080 0 + 584 P 37 ILE CA CT1 0.070000 12.0110 0 + 585 P 37 ILE HA HB 0.090000 1.0080 0 + 586 P 37 ILE CB CT1 -0.090000 12.0110 0 + 587 P 37 ILE HB HA 0.090000 1.0080 0 + 588 P 37 ILE CG2 CT3 -0.270000 12.0110 0 + 589 P 37 ILE HG21 HA 0.090000 1.0080 0 + 590 P 37 ILE HG22 HA 0.090000 1.0080 0 + 591 P 37 ILE HG23 HA 0.090000 1.0080 0 + 592 P 37 ILE CG1 CT2 -0.180000 12.0110 0 + 593 P 37 ILE HG11 HA 0.090000 1.0080 0 + 594 P 37 ILE HG12 HA 0.090000 1.0080 0 + 595 P 37 ILE CD CT3 -0.270000 12.0110 0 + 596 P 37 ILE HD1 HA 0.090000 1.0080 0 + 597 P 37 ILE HD2 HA 0.090000 1.0080 0 + 598 P 37 ILE HD3 HA 0.090000 1.0080 0 + 599 P 37 ILE C C 0.510000 12.0110 0 + 600 P 37 ILE O O -0.510000 15.9990 0 + 601 P 38 GLU N NH1 -0.470000 14.0070 0 + 602 P 38 GLU HN H 0.310000 1.0080 0 + 603 P 38 GLU CA CT1 0.070000 12.0110 0 + 604 P 38 GLU HA HB 0.090000 1.0080 0 + 605 P 38 GLU CB CT2 -0.180000 12.0110 0 + 606 P 38 GLU HB1 HA 0.090000 1.0080 0 + 607 P 38 GLU HB2 HA 0.090000 1.0080 0 + 608 P 38 GLU CG CT2 -0.280000 12.0110 0 + 609 P 38 GLU HG1 HA 0.050000 1.0080 0 + 610 P 38 GLU HG2 HA 0.050000 1.0080 0 + 611 P 38 GLU CD CC 0.560000 12.0110 0 + 612 P 38 GLU OE1 OC -0.690000 15.9990 0 + 613 P 38 GLU OE2 OC -0.690000 15.9990 0 + 614 P 38 GLU C C 0.510000 12.0110 0 + 615 P 38 GLU O O -0.510000 15.9990 0 + 616 P 39 ALA N NH1 -0.470000 14.0070 0 + 617 P 39 ALA HN H 0.310000 1.0080 0 + 618 P 39 ALA CA CT1 0.070000 12.0110 0 + 619 P 39 ALA HA HB 0.090000 1.0080 0 + 620 P 39 ALA CB CT3 -0.270000 12.0110 0 + 621 P 39 ALA HB1 HA 0.090000 1.0080 0 + 622 P 39 ALA HB2 HA 0.090000 1.0080 0 + 623 P 39 ALA HB3 HA 0.090000 1.0080 0 + 624 P 39 ALA C C 0.510000 12.0110 0 + 625 P 39 ALA O O -0.510000 15.9990 0 + 626 P 39 ALA NT NH1 -0.470000 14.0070 0 + 627 P 39 ALA HNT H 0.310000 1.0080 0 + 628 P 39 ALA CAT CT3 -0.110000 12.0110 0 + 629 P 39 ALA HT1 HA 0.090000 1.0080 0 + 630 P 39 ALA HT2 HA 0.090000 1.0080 0 + 631 P 39 ALA HT3 HA 0.090000 1.0080 0 + 632 WT0 5 TIP3 OH2 OT -0.834000 15.9994 0 + 633 WT0 5 TIP3 H1 HT 0.417000 1.0080 0 + 634 WT0 5 TIP3 H2 HT 0.417000 1.0080 0 + 635 WT0 7 TIP3 OH2 OT -0.834000 15.9994 0 + 636 WT0 7 TIP3 H1 HT 0.417000 1.0080 0 + 637 WT0 7 TIP3 H2 HT 0.417000 1.0080 0 + 638 WT0 8 TIP3 OH2 OT -0.834000 15.9994 0 + 639 WT0 8 TIP3 H1 HT 0.417000 1.0080 0 + 640 WT0 8 TIP3 H2 HT 0.417000 1.0080 0 + 641 WT0 15 TIP3 OH2 OT -0.834000 15.9994 0 + 642 WT0 15 TIP3 H1 HT 0.417000 1.0080 0 + 643 WT0 15 TIP3 H2 HT 0.417000 1.0080 0 + 644 WT0 21 TIP3 OH2 OT -0.834000 15.9994 0 + 645 WT0 21 TIP3 H1 HT 0.417000 1.0080 0 + 646 WT0 21 TIP3 H2 HT 0.417000 1.0080 0 + 647 WT0 26 TIP3 OH2 OT -0.834000 15.9994 0 + 648 WT0 26 TIP3 H1 HT 0.417000 1.0080 0 + 649 WT0 26 TIP3 H2 HT 0.417000 1.0080 0 + 650 WT0 29 TIP3 OH2 OT -0.834000 15.9994 0 + 651 WT0 29 TIP3 H1 HT 0.417000 1.0080 0 + 652 WT0 29 TIP3 H2 HT 0.417000 1.0080 0 + 653 WT0 30 TIP3 OH2 OT -0.834000 15.9994 0 + 654 WT0 30 TIP3 H1 HT 0.417000 1.0080 0 + 655 WT0 30 TIP3 H2 HT 0.417000 1.0080 0 + 656 WT0 44 TIP3 OH2 OT -0.834000 15.9994 0 + 657 WT0 44 TIP3 H1 HT 0.417000 1.0080 0 + 658 WT0 44 TIP3 H2 HT 0.417000 1.0080 0 + 659 WT0 46 TIP3 OH2 OT -0.834000 15.9994 0 + 660 WT0 46 TIP3 H1 HT 0.417000 1.0080 0 + 661 WT0 46 TIP3 H2 HT 0.417000 1.0080 0 + 662 WT0 47 TIP3 OH2 OT -0.834000 15.9994 0 + 663 WT0 47 TIP3 H1 HT 0.417000 1.0080 0 + 664 WT0 47 TIP3 H2 HT 0.417000 1.0080 0 + 665 WT0 48 TIP3 OH2 OT -0.834000 15.9994 0 + 666 WT0 48 TIP3 H1 HT 0.417000 1.0080 0 + 667 WT0 48 TIP3 H2 HT 0.417000 1.0080 0 + 668 WT0 52 TIP3 OH2 OT -0.834000 15.9994 0 + 669 WT0 52 TIP3 H1 HT 0.417000 1.0080 0 + 670 WT0 52 TIP3 H2 HT 0.417000 1.0080 0 + 671 WT0 53 TIP3 OH2 OT -0.834000 15.9994 0 + 672 WT0 53 TIP3 H1 HT 0.417000 1.0080 0 + 673 WT0 53 TIP3 H2 HT 0.417000 1.0080 0 + 674 WT0 55 TIP3 OH2 OT -0.834000 15.9994 0 + 675 WT0 55 TIP3 H1 HT 0.417000 1.0080 0 + 676 WT0 55 TIP3 H2 HT 0.417000 1.0080 0 + 677 WT0 56 TIP3 OH2 OT -0.834000 15.9994 0 + 678 WT0 56 TIP3 H1 HT 0.417000 1.0080 0 + 679 WT0 56 TIP3 H2 HT 0.417000 1.0080 0 + 680 WT0 64 TIP3 OH2 OT -0.834000 15.9994 0 + 681 WT0 64 TIP3 H1 HT 0.417000 1.0080 0 + 682 WT0 64 TIP3 H2 HT 0.417000 1.0080 0 + 683 WT0 67 TIP3 OH2 OT -0.834000 15.9994 0 + 684 WT0 67 TIP3 H1 HT 0.417000 1.0080 0 + 685 WT0 67 TIP3 H2 HT 0.417000 1.0080 0 + 686 WT0 68 TIP3 OH2 OT -0.834000 15.9994 0 + 687 WT0 68 TIP3 H1 HT 0.417000 1.0080 0 + 688 WT0 68 TIP3 H2 HT 0.417000 1.0080 0 + 689 WT0 71 TIP3 OH2 OT -0.834000 15.9994 0 + 690 WT0 71 TIP3 H1 HT 0.417000 1.0080 0 + 691 WT0 71 TIP3 H2 HT 0.417000 1.0080 0 + 692 WT0 75 TIP3 OH2 OT -0.834000 15.9994 0 + 693 WT0 75 TIP3 H1 HT 0.417000 1.0080 0 + 694 WT0 75 TIP3 H2 HT 0.417000 1.0080 0 + 695 WT0 76 TIP3 OH2 OT -0.834000 15.9994 0 + 696 WT0 76 TIP3 H1 HT 0.417000 1.0080 0 + 697 WT0 76 TIP3 H2 HT 0.417000 1.0080 0 + 698 WT0 86 TIP3 OH2 OT -0.834000 15.9994 0 + 699 WT0 86 TIP3 H1 HT 0.417000 1.0080 0 + 700 WT0 86 TIP3 H2 HT 0.417000 1.0080 0 + 701 WT0 87 TIP3 OH2 OT -0.834000 15.9994 0 + 702 WT0 87 TIP3 H1 HT 0.417000 1.0080 0 + 703 WT0 87 TIP3 H2 HT 0.417000 1.0080 0 + 704 WT0 88 TIP3 OH2 OT -0.834000 15.9994 0 + 705 WT0 88 TIP3 H1 HT 0.417000 1.0080 0 + 706 WT0 88 TIP3 H2 HT 0.417000 1.0080 0 + 707 WT0 90 TIP3 OH2 OT -0.834000 15.9994 0 + 708 WT0 90 TIP3 H1 HT 0.417000 1.0080 0 + 709 WT0 90 TIP3 H2 HT 0.417000 1.0080 0 + 710 WT0 94 TIP3 OH2 OT -0.834000 15.9994 0 + 711 WT0 94 TIP3 H1 HT 0.417000 1.0080 0 + 712 WT0 94 TIP3 H2 HT 0.417000 1.0080 0 + 713 WT0 95 TIP3 OH2 OT -0.834000 15.9994 0 + 714 WT0 95 TIP3 H1 HT 0.417000 1.0080 0 + 715 WT0 95 TIP3 H2 HT 0.417000 1.0080 0 + 716 WT0 97 TIP3 OH2 OT -0.834000 15.9994 0 + 717 WT0 97 TIP3 H1 HT 0.417000 1.0080 0 + 718 WT0 97 TIP3 H2 HT 0.417000 1.0080 0 + 719 WT0 98 TIP3 OH2 OT -0.834000 15.9994 0 + 720 WT0 98 TIP3 H1 HT 0.417000 1.0080 0 + 721 WT0 98 TIP3 H2 HT 0.417000 1.0080 0 + 722 WT0 99 TIP3 OH2 OT -0.834000 15.9994 0 + 723 WT0 99 TIP3 H1 HT 0.417000 1.0080 0 + 724 WT0 99 TIP3 H2 HT 0.417000 1.0080 0 + 725 WT0 108 TIP3 OH2 OT -0.834000 15.9994 0 + 726 WT0 108 TIP3 H1 HT 0.417000 1.0080 0 + 727 WT0 108 TIP3 H2 HT 0.417000 1.0080 0 + 728 WT0 111 TIP3 OH2 OT -0.834000 15.9994 0 + 729 WT0 111 TIP3 H1 HT 0.417000 1.0080 0 + 730 WT0 111 TIP3 H2 HT 0.417000 1.0080 0 + 731 WT0 112 TIP3 OH2 OT -0.834000 15.9994 0 + 732 WT0 112 TIP3 H1 HT 0.417000 1.0080 0 + 733 WT0 112 TIP3 H2 HT 0.417000 1.0080 0 + 734 WT0 113 TIP3 OH2 OT -0.834000 15.9994 0 + 735 WT0 113 TIP3 H1 HT 0.417000 1.0080 0 + 736 WT0 113 TIP3 H2 HT 0.417000 1.0080 0 + 737 WT0 115 TIP3 OH2 OT -0.834000 15.9994 0 + 738 WT0 115 TIP3 H1 HT 0.417000 1.0080 0 + 739 WT0 115 TIP3 H2 HT 0.417000 1.0080 0 + 740 WT0 116 TIP3 OH2 OT -0.834000 15.9994 0 + 741 WT0 116 TIP3 H1 HT 0.417000 1.0080 0 + 742 WT0 116 TIP3 H2 HT 0.417000 1.0080 0 + 743 WT0 123 TIP3 OH2 OT -0.834000 15.9994 0 + 744 WT0 123 TIP3 H1 HT 0.417000 1.0080 0 + 745 WT0 123 TIP3 H2 HT 0.417000 1.0080 0 + 746 WT0 125 TIP3 OH2 OT -0.834000 15.9994 0 + 747 WT0 125 TIP3 H1 HT 0.417000 1.0080 0 + 748 WT0 125 TIP3 H2 HT 0.417000 1.0080 0 + 749 WT0 129 TIP3 OH2 OT -0.834000 15.9994 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162 TIP3 H1 HT 0.417000 1.0080 0 + 796 WT0 162 TIP3 H2 HT 0.417000 1.0080 0 + 797 WT0 163 TIP3 OH2 OT -0.834000 15.9994 0 + 798 WT0 163 TIP3 H1 HT 0.417000 1.0080 0 + 799 WT0 163 TIP3 H2 HT 0.417000 1.0080 0 + 800 WT0 167 TIP3 OH2 OT -0.834000 15.9994 0 + 801 WT0 167 TIP3 H1 HT 0.417000 1.0080 0 + 802 WT0 167 TIP3 H2 HT 0.417000 1.0080 0 + 803 WT0 174 TIP3 OH2 OT -0.834000 15.9994 0 + 804 WT0 174 TIP3 H1 HT 0.417000 1.0080 0 + 805 WT0 174 TIP3 H2 HT 0.417000 1.0080 0 + 806 WT0 177 TIP3 OH2 OT -0.834000 15.9994 0 + 807 WT0 177 TIP3 H1 HT 0.417000 1.0080 0 + 808 WT0 177 TIP3 H2 HT 0.417000 1.0080 0 + 809 WT0 178 TIP3 OH2 OT -0.834000 15.9994 0 + 810 WT0 178 TIP3 H1 HT 0.417000 1.0080 0 + 811 WT0 178 TIP3 H2 HT 0.417000 1.0080 0 + 812 WT0 179 TIP3 OH2 OT -0.834000 15.9994 0 + 813 WT0 179 TIP3 H1 HT 0.417000 1.0080 0 + 814 WT0 179 TIP3 H2 HT 0.417000 1.0080 0 + 815 WT0 180 TIP3 OH2 OT -0.834000 15.9994 0 + 816 WT0 180 TIP3 H1 HT 0.417000 1.0080 0 + 817 WT0 180 TIP3 H2 HT 0.417000 1.0080 0 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515 TIP3 H2 HT 0.417000 1.0080 0 + 1067 WT0 516 TIP3 OH2 OT -0.834000 15.9994 0 + 1068 WT0 516 TIP3 H1 HT 0.417000 1.0080 0 + 1069 WT0 516 TIP3 H2 HT 0.417000 1.0080 0 + 1070 WT0 517 TIP3 OH2 OT -0.834000 15.9994 0 + 1071 WT0 517 TIP3 H1 HT 0.417000 1.0080 0 + 1072 WT0 517 TIP3 H2 HT 0.417000 1.0080 0 + 1073 WT0 529 TIP3 OH2 OT -0.834000 15.9994 0 + 1074 WT0 529 TIP3 H1 HT 0.417000 1.0080 0 + 1075 WT0 529 TIP3 H2 HT 0.417000 1.0080 0 + 1076 WT0 533 TIP3 OH2 OT -0.834000 15.9994 0 + 1077 WT0 533 TIP3 H1 HT 0.417000 1.0080 0 + 1078 WT0 533 TIP3 H2 HT 0.417000 1.0080 0 + 1079 WT0 534 TIP3 OH2 OT -0.834000 15.9994 0 + 1080 WT0 534 TIP3 H1 HT 0.417000 1.0080 0 + 1081 WT0 534 TIP3 H2 HT 0.417000 1.0080 0 + 1082 WT0 538 TIP3 OH2 OT -0.834000 15.9994 0 + 1083 WT0 538 TIP3 H1 HT 0.417000 1.0080 0 + 1084 WT0 538 TIP3 H2 HT 0.417000 1.0080 0 + 1085 WT0 540 TIP3 OH2 OT -0.834000 15.9994 0 + 1086 WT0 540 TIP3 H1 HT 0.417000 1.0080 0 + 1087 WT0 540 TIP3 H2 HT 0.417000 1.0080 0 + 1088 WT0 541 TIP3 OH2 OT -0.834000 15.9994 0 + 1089 WT0 541 TIP3 H1 HT 0.417000 1.0080 0 + 1090 WT0 541 TIP3 H2 HT 0.417000 1.0080 0 + 1091 WT0 543 TIP3 OH2 OT -0.834000 15.9994 0 + 1092 WT0 543 TIP3 H1 HT 0.417000 1.0080 0 + 1093 WT0 543 TIP3 H2 HT 0.417000 1.0080 0 + 1094 WT0 549 TIP3 OH2 OT -0.834000 15.9994 0 + 1095 WT0 549 TIP3 H1 HT 0.417000 1.0080 0 + 1096 WT0 549 TIP3 H2 HT 0.417000 1.0080 0 + 1097 WT0 550 TIP3 OH2 OT -0.834000 15.9994 0 + 1098 WT0 550 TIP3 H1 HT 0.417000 1.0080 0 + 1099 WT0 550 TIP3 H2 HT 0.417000 1.0080 0 + 1100 WT0 551 TIP3 OH2 OT -0.834000 15.9994 0 + 1101 WT0 551 TIP3 H1 HT 0.417000 1.0080 0 + 1102 WT0 551 TIP3 H2 HT 0.417000 1.0080 0 + 1103 WT0 552 TIP3 OH2 OT -0.834000 15.9994 0 + 1104 WT0 552 TIP3 H1 HT 0.417000 1.0080 0 + 1105 WT0 552 TIP3 H2 HT 0.417000 1.0080 0 + 1106 WT0 553 TIP3 OH2 OT -0.834000 15.9994 0 + 1107 WT0 553 TIP3 H1 HT 0.417000 1.0080 0 + 1108 WT0 553 TIP3 H2 HT 0.417000 1.0080 0 + 1109 WT0 554 TIP3 OH2 OT -0.834000 15.9994 0 + 1110 WT0 554 TIP3 H1 HT 0.417000 1.0080 0 + 1111 WT0 554 TIP3 H2 HT 0.417000 1.0080 0 + 1112 WT0 555 TIP3 OH2 OT -0.834000 15.9994 0 + 1113 WT0 555 TIP3 H1 HT 0.417000 1.0080 0 + 1114 WT0 555 TIP3 H2 HT 0.417000 1.0080 0 + 1115 WT0 556 TIP3 OH2 OT -0.834000 15.9994 0 + 1116 WT0 556 TIP3 H1 HT 0.417000 1.0080 0 + 1117 WT0 556 TIP3 H2 HT 0.417000 1.0080 0 + 1118 WT0 558 TIP3 OH2 OT -0.834000 15.9994 0 + 1119 WT0 558 TIP3 H1 HT 0.417000 1.0080 0 + 1120 WT0 558 TIP3 H2 HT 0.417000 1.0080 0 + 1121 WT0 562 TIP3 OH2 OT -0.834000 15.9994 0 + 1122 WT0 562 TIP3 H1 HT 0.417000 1.0080 0 + 1123 WT0 562 TIP3 H2 HT 0.417000 1.0080 0 + 1124 WT0 568 TIP3 OH2 OT -0.834000 15.9994 0 + 1125 WT0 568 TIP3 H1 HT 0.417000 1.0080 0 + 1126 WT0 568 TIP3 H2 HT 0.417000 1.0080 0 + 1127 WT0 570 TIP3 OH2 OT -0.834000 15.9994 0 + 1128 WT0 570 TIP3 H1 HT 0.417000 1.0080 0 + 1129 WT0 570 TIP3 H2 HT 0.417000 1.0080 0 + 1130 WT0 573 TIP3 OH2 OT -0.834000 15.9994 0 + 1131 WT0 573 TIP3 H1 HT 0.417000 1.0080 0 + 1132 WT0 573 TIP3 H2 HT 0.417000 1.0080 0 + 1133 WT0 575 TIP3 OH2 OT -0.834000 15.9994 0 + 1134 WT0 575 TIP3 H1 HT 0.417000 1.0080 0 + 1135 WT0 575 TIP3 H2 HT 0.417000 1.0080 0 + 1136 WT0 576 TIP3 OH2 OT -0.834000 15.9994 0 + 1137 WT0 576 TIP3 H1 HT 0.417000 1.0080 0 + 1138 WT0 576 TIP3 H2 HT 0.417000 1.0080 0 + 1139 WT0 578 TIP3 OH2 OT -0.834000 15.9994 0 + 1140 WT0 578 TIP3 H1 HT 0.417000 1.0080 0 + 1141 WT0 578 TIP3 H2 HT 0.417000 1.0080 0 + 1142 WT0 579 TIP3 OH2 OT -0.834000 15.9994 0 + 1143 WT0 579 TIP3 H1 HT 0.417000 1.0080 0 + 1144 WT0 579 TIP3 H2 HT 0.417000 1.0080 0 + 1145 WT0 580 TIP3 OH2 OT -0.834000 15.9994 0 + 1146 WT0 580 TIP3 H1 HT 0.417000 1.0080 0 + 1147 WT0 580 TIP3 H2 HT 0.417000 1.0080 0 + 1148 WT0 584 TIP3 OH2 OT -0.834000 15.9994 0 + 1149 WT0 584 TIP3 H1 HT 0.417000 1.0080 0 + 1150 WT0 584 TIP3 H2 HT 0.417000 1.0080 0 + 1151 WT0 585 TIP3 OH2 OT -0.834000 15.9994 0 + 1152 WT0 585 TIP3 H1 HT 0.417000 1.0080 0 + 1153 WT0 585 TIP3 H2 HT 0.417000 1.0080 0 + 1154 WT0 587 TIP3 OH2 OT -0.834000 15.9994 0 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599 TIP3 H2 HT 0.417000 1.0080 0 + 1178 WT0 600 TIP3 OH2 OT -0.834000 15.9994 0 + 1179 WT0 600 TIP3 H1 HT 0.417000 1.0080 0 + 1180 WT0 600 TIP3 H2 HT 0.417000 1.0080 0 + 1181 WT0 601 TIP3 OH2 OT -0.834000 15.9994 0 + 1182 WT0 601 TIP3 H1 HT 0.417000 1.0080 0 + 1183 WT0 601 TIP3 H2 HT 0.417000 1.0080 0 + 1184 WT0 602 TIP3 OH2 OT -0.834000 15.9994 0 + 1185 WT0 602 TIP3 H1 HT 0.417000 1.0080 0 + 1186 WT0 602 TIP3 H2 HT 0.417000 1.0080 0 + 1187 WT0 611 TIP3 OH2 OT -0.834000 15.9994 0 + 1188 WT0 611 TIP3 H1 HT 0.417000 1.0080 0 + 1189 WT0 611 TIP3 H2 HT 0.417000 1.0080 0 + 1190 WT0 612 TIP3 OH2 OT -0.834000 15.9994 0 + 1191 WT0 612 TIP3 H1 HT 0.417000 1.0080 0 + 1192 WT0 612 TIP3 H2 HT 0.417000 1.0080 0 + 1193 WT0 613 TIP3 OH2 OT -0.834000 15.9994 0 + 1194 WT0 613 TIP3 H1 HT 0.417000 1.0080 0 + 1195 WT0 613 TIP3 H2 HT 0.417000 1.0080 0 + 1196 WT0 615 TIP3 OH2 OT -0.834000 15.9994 0 + 1197 WT0 615 TIP3 H1 HT 0.417000 1.0080 0 + 1198 WT0 615 TIP3 H2 HT 0.417000 1.0080 0 + 1199 WT0 616 TIP3 OH2 OT -0.834000 15.9994 0 + 1200 WT0 616 TIP3 H1 HT 0.417000 1.0080 0 + 1201 WT0 616 TIP3 H2 HT 0.417000 1.0080 0 + 1202 WT0 618 TIP3 OH2 OT -0.834000 15.9994 0 + 1203 WT0 618 TIP3 H1 HT 0.417000 1.0080 0 + 1204 WT0 618 TIP3 H2 HT 0.417000 1.0080 0 + 1205 WT0 619 TIP3 OH2 OT -0.834000 15.9994 0 + 1206 WT0 619 TIP3 H1 HT 0.417000 1.0080 0 + 1207 WT0 619 TIP3 H2 HT 0.417000 1.0080 0 + 1208 WT0 623 TIP3 OH2 OT -0.834000 15.9994 0 + 1209 WT0 623 TIP3 H1 HT 0.417000 1.0080 0 + 1210 WT0 623 TIP3 H2 HT 0.417000 1.0080 0 + 1211 WT0 626 TIP3 OH2 OT -0.834000 15.9994 0 + 1212 WT0 626 TIP3 H1 HT 0.417000 1.0080 0 + 1213 WT0 626 TIP3 H2 HT 0.417000 1.0080 0 + 1214 WT0 632 TIP3 OH2 OT -0.834000 15.9994 0 + 1215 WT0 632 TIP3 H1 HT 0.417000 1.0080 0 + 1216 WT0 632 TIP3 H2 HT 0.417000 1.0080 0 + 1217 WT0 634 TIP3 OH2 OT -0.834000 15.9994 0 + 1218 WT0 634 TIP3 H1 HT 0.417000 1.0080 0 + 1219 WT0 634 TIP3 H2 HT 0.417000 1.0080 0 + 1220 WT0 636 TIP3 OH2 OT -0.834000 15.9994 0 + 1221 WT0 636 TIP3 H1 HT 0.417000 1.0080 0 + 1222 WT0 636 TIP3 H2 HT 0.417000 1.0080 0 + 1223 WT0 637 TIP3 OH2 OT -0.834000 15.9994 0 + 1224 WT0 637 TIP3 H1 HT 0.417000 1.0080 0 + 1225 WT0 637 TIP3 H2 HT 0.417000 1.0080 0 + 1226 WT0 638 TIP3 OH2 OT -0.834000 15.9994 0 + 1227 WT0 638 TIP3 H1 HT 0.417000 1.0080 0 + 1228 WT0 638 TIP3 H2 HT 0.417000 1.0080 0 + 1229 WT0 639 TIP3 OH2 OT -0.834000 15.9994 0 + 1230 WT0 639 TIP3 H1 HT 0.417000 1.0080 0 + 1231 WT0 639 TIP3 H2 HT 0.417000 1.0080 0 + 1232 WT0 642 TIP3 OH2 OT -0.834000 15.9994 0 + 1233 WT0 642 TIP3 H1 HT 0.417000 1.0080 0 + 1234 WT0 642 TIP3 H2 HT 0.417000 1.0080 0 + 1235 WT0 648 TIP3 OH2 OT -0.834000 15.9994 0 + 1236 WT0 648 TIP3 H1 HT 0.417000 1.0080 0 + 1237 WT0 648 TIP3 H2 HT 0.417000 1.0080 0 + 1238 WT0 653 TIP3 OH2 OT -0.834000 15.9994 0 + 1239 WT0 653 TIP3 H1 HT 0.417000 1.0080 0 + 1240 WT0 653 TIP3 H2 HT 0.417000 1.0080 0 + 1241 WT0 657 TIP3 OH2 OT -0.834000 15.9994 0 + 1242 WT0 657 TIP3 H1 HT 0.417000 1.0080 0 + 1243 WT0 657 TIP3 H2 HT 0.417000 1.0080 0 + 1244 WT0 661 TIP3 OH2 OT -0.834000 15.9994 0 + 1245 WT0 661 TIP3 H1 HT 0.417000 1.0080 0 + 1246 WT0 661 TIP3 H2 HT 0.417000 1.0080 0 + 1247 WT0 662 TIP3 OH2 OT -0.834000 15.9994 0 + 1248 WT0 662 TIP3 H1 HT 0.417000 1.0080 0 + 1249 WT0 662 TIP3 H2 HT 0.417000 1.0080 0 + 1250 WT0 666 TIP3 OH2 OT -0.834000 15.9994 0 + 1251 WT0 666 TIP3 H1 HT 0.417000 1.0080 0 + 1252 WT0 666 TIP3 H2 HT 0.417000 1.0080 0 + 1253 WT0 667 TIP3 OH2 OT -0.834000 15.9994 0 + 1254 WT0 667 TIP3 H1 HT 0.417000 1.0080 0 + 1255 WT0 667 TIP3 H2 HT 0.417000 1.0080 0 + 1256 WT0 672 TIP3 OH2 OT -0.834000 15.9994 0 + 1257 WT0 672 TIP3 H1 HT 0.417000 1.0080 0 + 1258 WT0 672 TIP3 H2 HT 0.417000 1.0080 0 + 1259 WT0 674 TIP3 OH2 OT -0.834000 15.9994 0 + 1260 WT0 674 TIP3 H1 HT 0.417000 1.0080 0 + 1261 WT0 674 TIP3 H2 HT 0.417000 1.0080 0 + 1262 WT0 675 TIP3 OH2 OT -0.834000 15.9994 0 + 1263 WT0 675 TIP3 H1 HT 0.417000 1.0080 0 + 1264 WT0 675 TIP3 H2 HT 0.417000 1.0080 0 + 1265 WT0 676 TIP3 OH2 OT -0.834000 15.9994 0 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687 TIP3 H2 HT 0.417000 1.0080 0 + 1289 WT0 699 TIP3 OH2 OT -0.834000 15.9994 0 + 1290 WT0 699 TIP3 H1 HT 0.417000 1.0080 0 + 1291 WT0 699 TIP3 H2 HT 0.417000 1.0080 0 + 1292 WT0 700 TIP3 OH2 OT -0.834000 15.9994 0 + 1293 WT0 700 TIP3 H1 HT 0.417000 1.0080 0 + 1294 WT0 700 TIP3 H2 HT 0.417000 1.0080 0 + 1295 WT0 701 TIP3 OH2 OT -0.834000 15.9994 0 + 1296 WT0 701 TIP3 H1 HT 0.417000 1.0080 0 + 1297 WT0 701 TIP3 H2 HT 0.417000 1.0080 0 + 1298 WT0 702 TIP3 OH2 OT -0.834000 15.9994 0 + 1299 WT0 702 TIP3 H1 HT 0.417000 1.0080 0 + 1300 WT0 702 TIP3 H2 HT 0.417000 1.0080 0 + 1301 WT0 703 TIP3 OH2 OT -0.834000 15.9994 0 + 1302 WT0 703 TIP3 H1 HT 0.417000 1.0080 0 + 1303 WT0 703 TIP3 H2 HT 0.417000 1.0080 0 + 1304 WT0 704 TIP3 OH2 OT -0.834000 15.9994 0 + 1305 WT0 704 TIP3 H1 HT 0.417000 1.0080 0 + 1306 WT0 704 TIP3 H2 HT 0.417000 1.0080 0 + 1307 WT0 706 TIP3 OH2 OT -0.834000 15.9994 0 + 1308 WT0 706 TIP3 H1 HT 0.417000 1.0080 0 + 1309 WT0 706 TIP3 H2 HT 0.417000 1.0080 0 + 1310 WT0 707 TIP3 OH2 OT -0.834000 15.9994 0 + 1311 WT0 707 TIP3 H1 HT 0.417000 1.0080 0 + 1312 WT0 707 TIP3 H2 HT 0.417000 1.0080 0 + 1313 WT0 708 TIP3 OH2 OT -0.834000 15.9994 0 + 1314 WT0 708 TIP3 H1 HT 0.417000 1.0080 0 + 1315 WT0 708 TIP3 H2 HT 0.417000 1.0080 0 + 1316 WT0 710 TIP3 OH2 OT -0.834000 15.9994 0 + 1317 WT0 710 TIP3 H1 HT 0.417000 1.0080 0 + 1318 WT0 710 TIP3 H2 HT 0.417000 1.0080 0 + 1319 WT0 711 TIP3 OH2 OT -0.834000 15.9994 0 + 1320 WT0 711 TIP3 H1 HT 0.417000 1.0080 0 + 1321 WT0 711 TIP3 H2 HT 0.417000 1.0080 0 + 1322 WT0 713 TIP3 OH2 OT -0.834000 15.9994 0 + 1323 WT0 713 TIP3 H1 HT 0.417000 1.0080 0 + 1324 WT0 713 TIP3 H2 HT 0.417000 1.0080 0 + 1325 WT0 717 TIP3 OH2 OT -0.834000 15.9994 0 + 1326 WT0 717 TIP3 H1 HT 0.417000 1.0080 0 + 1327 WT0 717 TIP3 H2 HT 0.417000 1.0080 0 + 1328 WT0 721 TIP3 OH2 OT -0.834000 15.9994 0 + 1329 WT0 721 TIP3 H1 HT 0.417000 1.0080 0 + 1330 WT0 721 TIP3 H2 HT 0.417000 1.0080 0 + 1331 WT0 722 TIP3 OH2 OT -0.834000 15.9994 0 + 1332 WT0 722 TIP3 H1 HT 0.417000 1.0080 0 + 1333 WT0 722 TIP3 H2 HT 0.417000 1.0080 0 + 1334 WT0 725 TIP3 OH2 OT -0.834000 15.9994 0 + 1335 WT0 725 TIP3 H1 HT 0.417000 1.0080 0 + 1336 WT0 725 TIP3 H2 HT 0.417000 1.0080 0 + 1337 WT0 726 TIP3 OH2 OT -0.834000 15.9994 0 + 1338 WT0 726 TIP3 H1 HT 0.417000 1.0080 0 + 1339 WT0 726 TIP3 H2 HT 0.417000 1.0080 0 + 1340 WT0 733 TIP3 OH2 OT -0.834000 15.9994 0 + 1341 WT0 733 TIP3 H1 HT 0.417000 1.0080 0 + 1342 WT0 733 TIP3 H2 HT 0.417000 1.0080 0 + 1343 WT0 736 TIP3 OH2 OT -0.834000 15.9994 0 + 1344 WT0 736 TIP3 H1 HT 0.417000 1.0080 0 + 1345 WT0 736 TIP3 H2 HT 0.417000 1.0080 0 + 1346 WT0 737 TIP3 OH2 OT -0.834000 15.9994 0 + 1347 WT0 737 TIP3 H1 HT 0.417000 1.0080 0 + 1348 WT0 737 TIP3 H2 HT 0.417000 1.0080 0 + 1349 WT0 738 TIP3 OH2 OT -0.834000 15.9994 0 + 1350 WT0 738 TIP3 H1 HT 0.417000 1.0080 0 + 1351 WT0 738 TIP3 H2 HT 0.417000 1.0080 0 + 1352 WT0 741 TIP3 OH2 OT -0.834000 15.9994 0 + 1353 WT0 741 TIP3 H1 HT 0.417000 1.0080 0 + 1354 WT0 741 TIP3 H2 HT 0.417000 1.0080 0 + 1355 WT0 746 TIP3 OH2 OT -0.834000 15.9994 0 + 1356 WT0 746 TIP3 H1 HT 0.417000 1.0080 0 + 1357 WT0 746 TIP3 H2 HT 0.417000 1.0080 0 + 1358 WT0 747 TIP3 OH2 OT -0.834000 15.9994 0 + 1359 WT0 747 TIP3 H1 HT 0.417000 1.0080 0 + 1360 WT0 747 TIP3 H2 HT 0.417000 1.0080 0 + 1361 WT0 748 TIP3 OH2 OT -0.834000 15.9994 0 + 1362 WT0 748 TIP3 H1 HT 0.417000 1.0080 0 + 1363 WT0 748 TIP3 H2 HT 0.417000 1.0080 0 + 1364 WT0 749 TIP3 OH2 OT -0.834000 15.9994 0 + 1365 WT0 749 TIP3 H1 HT 0.417000 1.0080 0 + 1366 WT0 749 TIP3 H2 HT 0.417000 1.0080 0 + 1367 WT0 759 TIP3 OH2 OT -0.834000 15.9994 0 + 1368 WT0 759 TIP3 H1 HT 0.417000 1.0080 0 + 1369 WT0 759 TIP3 H2 HT 0.417000 1.0080 0 + 1370 WT0 761 TIP3 OH2 OT -0.834000 15.9994 0 + 1371 WT0 761 TIP3 H1 HT 0.417000 1.0080 0 + 1372 WT0 761 TIP3 H2 HT 0.417000 1.0080 0 + 1373 WT0 765 TIP3 OH2 OT -0.834000 15.9994 0 + 1374 WT0 765 TIP3 H1 HT 0.417000 1.0080 0 + 1375 WT0 765 TIP3 H2 HT 0.417000 1.0080 0 + 1376 WT0 778 TIP3 OH2 OT -0.834000 15.9994 0 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809 TIP3 H2 HT 0.417000 1.0080 0 + 1400 WT0 811 TIP3 OH2 OT -0.834000 15.9994 0 + 1401 WT0 811 TIP3 H1 HT 0.417000 1.0080 0 + 1402 WT0 811 TIP3 H2 HT 0.417000 1.0080 0 + 1403 WT0 813 TIP3 OH2 OT -0.834000 15.9994 0 + 1404 WT0 813 TIP3 H1 HT 0.417000 1.0080 0 + 1405 WT0 813 TIP3 H2 HT 0.417000 1.0080 0 + 1406 WT0 817 TIP3 OH2 OT -0.834000 15.9994 0 + 1407 WT0 817 TIP3 H1 HT 0.417000 1.0080 0 + 1408 WT0 817 TIP3 H2 HT 0.417000 1.0080 0 + 1409 WT0 819 TIP3 OH2 OT -0.834000 15.9994 0 + 1410 WT0 819 TIP3 H1 HT 0.417000 1.0080 0 + 1411 WT0 819 TIP3 H2 HT 0.417000 1.0080 0 + 1412 WT0 822 TIP3 OH2 OT -0.834000 15.9994 0 + 1413 WT0 822 TIP3 H1 HT 0.417000 1.0080 0 + 1414 WT0 822 TIP3 H2 HT 0.417000 1.0080 0 + 1415 WT0 835 TIP3 OH2 OT -0.834000 15.9994 0 + 1416 WT0 835 TIP3 H1 HT 0.417000 1.0080 0 + 1417 WT0 835 TIP3 H2 HT 0.417000 1.0080 0 + 1418 WT0 849 TIP3 OH2 OT -0.834000 15.9994 0 + 1419 WT0 849 TIP3 H1 HT 0.417000 1.0080 0 + 1420 WT0 849 TIP3 H2 HT 0.417000 1.0080 0 + 1421 WT0 852 TIP3 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942 TIP3 H2 HT 0.417000 1.0080 0 + 1511 WT0 947 TIP3 OH2 OT -0.834000 15.9994 0 + 1512 WT0 947 TIP3 H1 HT 0.417000 1.0080 0 + 1513 WT0 947 TIP3 H2 HT 0.417000 1.0080 0 + 1514 WT0 948 TIP3 OH2 OT -0.834000 15.9994 0 + 1515 WT0 948 TIP3 H1 HT 0.417000 1.0080 0 + 1516 WT0 948 TIP3 H2 HT 0.417000 1.0080 0 + 1517 WT0 949 TIP3 OH2 OT -0.834000 15.9994 0 + 1518 WT0 949 TIP3 H1 HT 0.417000 1.0080 0 + 1519 WT0 949 TIP3 H2 HT 0.417000 1.0080 0 + 1520 WT0 950 TIP3 OH2 OT -0.834000 15.9994 0 + 1521 WT0 950 TIP3 H1 HT 0.417000 1.0080 0 + 1522 WT0 950 TIP3 H2 HT 0.417000 1.0080 0 + 1523 WT0 951 TIP3 OH2 OT -0.834000 15.9994 0 + 1524 WT0 951 TIP3 H1 HT 0.417000 1.0080 0 + 1525 WT0 951 TIP3 H2 HT 0.417000 1.0080 0 + 1526 WT0 952 TIP3 OH2 OT -0.834000 15.9994 0 + 1527 WT0 952 TIP3 H1 HT 0.417000 1.0080 0 + 1528 WT0 952 TIP3 H2 HT 0.417000 1.0080 0 + 1529 WT0 953 TIP3 OH2 OT -0.834000 15.9994 0 + 1530 WT0 953 TIP3 H1 HT 0.417000 1.0080 0 + 1531 WT0 953 TIP3 H2 HT 0.417000 1.0080 0 + 1532 WT0 954 TIP3 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1.0080 0 + 1577 WT0 989 TIP3 OH2 OT -0.834000 15.9994 0 + 1578 WT0 989 TIP3 H1 HT 0.417000 1.0080 0 + 1579 WT0 989 TIP3 H2 HT 0.417000 1.0080 0 + 1580 WT0 990 TIP3 OH2 OT -0.834000 15.9994 0 + 1581 WT0 990 TIP3 H1 HT 0.417000 1.0080 0 + 1582 WT0 990 TIP3 H2 HT 0.417000 1.0080 0 + 1583 WT0 991 TIP3 OH2 OT -0.834000 15.9994 0 + 1584 WT0 991 TIP3 H1 HT 0.417000 1.0080 0 + 1585 WT0 991 TIP3 H2 HT 0.417000 1.0080 0 + 1586 WT0 992 TIP3 OH2 OT -0.834000 15.9994 0 + 1587 WT0 992 TIP3 H1 HT 0.417000 1.0080 0 + 1588 WT0 992 TIP3 H2 HT 0.417000 1.0080 0 + 1589 WT0 994 TIP3 OH2 OT -0.834000 15.9994 0 + 1590 WT0 994 TIP3 H1 HT 0.417000 1.0080 0 + 1591 WT0 994 TIP3 H2 HT 0.417000 1.0080 0 + 1592 WT0 995 TIP3 OH2 OT -0.834000 15.9994 0 + 1593 WT0 995 TIP3 H1 HT 0.417000 1.0080 0 + 1594 WT0 995 TIP3 H2 HT 0.417000 1.0080 0 + 1595 WT0 996 TIP3 OH2 OT -0.834000 15.9994 0 + 1596 WT0 996 TIP3 H1 HT 0.417000 1.0080 0 + 1597 WT0 996 TIP3 H2 HT 0.417000 1.0080 0 + 1598 WT0 1004 TIP3 OH2 OT -0.834000 15.9994 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1664 WT0 1056 TIP3 OH2 OT -0.834000 15.9994 0 + 1665 WT0 1056 TIP3 H1 HT 0.417000 1.0080 0 + 1666 WT0 1056 TIP3 H2 HT 0.417000 1.0080 0 + 1667 WT0 1057 TIP3 OH2 OT -0.834000 15.9994 0 + 1668 WT0 1057 TIP3 H1 HT 0.417000 1.0080 0 + 1669 WT0 1057 TIP3 H2 HT 0.417000 1.0080 0 + 1670 WT0 1058 TIP3 OH2 OT -0.834000 15.9994 0 + 1671 WT0 1058 TIP3 H1 HT 0.417000 1.0080 0 + 1672 WT0 1058 TIP3 H2 HT 0.417000 1.0080 0 + 1673 WT0 1059 TIP3 OH2 OT -0.834000 15.9994 0 + 1674 WT0 1059 TIP3 H1 HT 0.417000 1.0080 0 + 1675 WT0 1059 TIP3 H2 HT 0.417000 1.0080 0 + 1676 WT0 1060 TIP3 OH2 OT -0.834000 15.9994 0 + 1677 WT0 1060 TIP3 H1 HT 0.417000 1.0080 0 + 1678 WT0 1060 TIP3 H2 HT 0.417000 1.0080 0 + 1679 WT0 1061 TIP3 OH2 OT -0.834000 15.9994 0 + 1680 WT0 1061 TIP3 H1 HT 0.417000 1.0080 0 + 1681 WT0 1061 TIP3 H2 HT 0.417000 1.0080 0 + 1682 WT0 1062 TIP3 OH2 OT -0.834000 15.9994 0 + 1683 WT0 1062 TIP3 H1 HT 0.417000 1.0080 0 + 1684 WT0 1062 TIP3 H2 HT 0.417000 1.0080 0 + 1685 WT0 1063 TIP3 OH2 OT 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1078 TIP3 H1 HT 0.417000 1.0080 0 + 1708 WT0 1078 TIP3 H2 HT 0.417000 1.0080 0 + 1709 WT0 1080 TIP3 OH2 OT -0.834000 15.9994 0 + 1710 WT0 1080 TIP3 H1 HT 0.417000 1.0080 0 + 1711 WT0 1080 TIP3 H2 HT 0.417000 1.0080 0 + 1712 WT0 1081 TIP3 OH2 OT -0.834000 15.9994 0 + 1713 WT0 1081 TIP3 H1 HT 0.417000 1.0080 0 + 1714 WT0 1081 TIP3 H2 HT 0.417000 1.0080 0 + 1715 WT0 1082 TIP3 OH2 OT -0.834000 15.9994 0 + 1716 WT0 1082 TIP3 H1 HT 0.417000 1.0080 0 + 1717 WT0 1082 TIP3 H2 HT 0.417000 1.0080 0 + 1718 WT0 1083 TIP3 OH2 OT -0.834000 15.9994 0 + 1719 WT0 1083 TIP3 H1 HT 0.417000 1.0080 0 + 1720 WT0 1083 TIP3 H2 HT 0.417000 1.0080 0 + 1721 WT0 1085 TIP3 OH2 OT -0.834000 15.9994 0 + 1722 WT0 1085 TIP3 H1 HT 0.417000 1.0080 0 + 1723 WT0 1085 TIP3 H2 HT 0.417000 1.0080 0 + 1724 WT0 1087 TIP3 OH2 OT -0.834000 15.9994 0 + 1725 WT0 1087 TIP3 H1 HT 0.417000 1.0080 0 + 1726 WT0 1087 TIP3 H2 HT 0.417000 1.0080 0 + 1727 WT0 1090 TIP3 OH2 OT -0.834000 15.9994 0 + 1728 WT0 1090 TIP3 H1 HT 0.417000 1.0080 0 + 1729 WT0 1090 TIP3 H2 HT 0.417000 1.0080 0 + 1730 WT0 1096 TIP3 OH2 OT -0.834000 15.9994 0 + 1731 WT0 1096 TIP3 H1 HT 0.417000 1.0080 0 + 1732 WT0 1096 TIP3 H2 HT 0.417000 1.0080 0 + 1733 WT0 1097 TIP3 OH2 OT -0.834000 15.9994 0 + 1734 WT0 1097 TIP3 H1 HT 0.417000 1.0080 0 + 1735 WT0 1097 TIP3 H2 HT 0.417000 1.0080 0 + 1736 WT0 1098 TIP3 OH2 OT -0.834000 15.9994 0 + 1737 WT0 1098 TIP3 H1 HT 0.417000 1.0080 0 + 1738 WT0 1098 TIP3 H2 HT 0.417000 1.0080 0 + 1739 WT0 1099 TIP3 OH2 OT -0.834000 15.9994 0 + 1740 WT0 1099 TIP3 H1 HT 0.417000 1.0080 0 + 1741 WT0 1099 TIP3 H2 HT 0.417000 1.0080 0 + 1742 WT0 1101 TIP3 OH2 OT -0.834000 15.9994 0 + 1743 WT0 1101 TIP3 H1 HT 0.417000 1.0080 0 + 1744 WT0 1101 TIP3 H2 HT 0.417000 1.0080 0 + 1745 WT0 1102 TIP3 OH2 OT -0.834000 15.9994 0 + 1746 WT0 1102 TIP3 H1 HT 0.417000 1.0080 0 + 1747 WT0 1102 TIP3 H2 HT 0.417000 1.0080 0 + 1748 WT0 1103 TIP3 OH2 OT -0.834000 15.9994 0 + 1749 WT0 1103 TIP3 H1 HT 0.417000 1.0080 0 + 1750 WT0 1103 TIP3 H2 HT 0.417000 1.0080 0 + 1751 WT0 1104 TIP3 OH2 OT -0.834000 15.9994 0 + 1752 WT0 1104 TIP3 H1 HT 0.417000 1.0080 0 + 1753 WT0 1104 TIP3 H2 HT 0.417000 1.0080 0 + 1754 WT0 1105 TIP3 OH2 OT -0.834000 15.9994 0 + 1755 WT0 1105 TIP3 H1 HT 0.417000 1.0080 0 + 1756 WT0 1105 TIP3 H2 HT 0.417000 1.0080 0 + 1757 WT0 1107 TIP3 OH2 OT -0.834000 15.9994 0 + 1758 WT0 1107 TIP3 H1 HT 0.417000 1.0080 0 + 1759 WT0 1107 TIP3 H2 HT 0.417000 1.0080 0 + 1760 WT0 1112 TIP3 OH2 OT -0.834000 15.9994 0 + 1761 WT0 1112 TIP3 H1 HT 0.417000 1.0080 0 + 1762 WT0 1112 TIP3 H2 HT 0.417000 1.0080 0 + 1763 WT0 1113 TIP3 OH2 OT -0.834000 15.9994 0 + 1764 WT0 1113 TIP3 H1 HT 0.417000 1.0080 0 + 1765 WT0 1113 TIP3 H2 HT 0.417000 1.0080 0 + 1766 WT0 1115 TIP3 OH2 OT -0.834000 15.9994 0 + 1767 WT0 1115 TIP3 H1 HT 0.417000 1.0080 0 + 1768 WT0 1115 TIP3 H2 HT 0.417000 1.0080 0 + 1769 WT0 1116 TIP3 OH2 OT -0.834000 15.9994 0 + 1770 WT0 1116 TIP3 H1 HT 0.417000 1.0080 0 + 1771 WT0 1116 TIP3 H2 HT 0.417000 1.0080 0 + 1772 WT0 1117 TIP3 OH2 OT -0.834000 15.9994 0 + 1773 WT0 1117 TIP3 H1 HT 0.417000 1.0080 0 + 1774 WT0 1117 TIP3 H2 HT 0.417000 1.0080 0 + 1775 WT0 1118 TIP3 OH2 OT -0.834000 15.9994 0 + 1776 WT0 1118 TIP3 H1 HT 0.417000 1.0080 0 + 1777 WT0 1118 TIP3 H2 HT 0.417000 1.0080 0 + 1778 WT0 1120 TIP3 OH2 OT -0.834000 15.9994 0 + 1779 WT0 1120 TIP3 H1 HT 0.417000 1.0080 0 + 1780 WT0 1120 TIP3 H2 HT 0.417000 1.0080 0 + 1781 WT0 1121 TIP3 OH2 OT -0.834000 15.9994 0 + 1782 WT0 1121 TIP3 H1 HT 0.417000 1.0080 0 + 1783 WT0 1121 TIP3 H2 HT 0.417000 1.0080 0 + 1784 WT0 1122 TIP3 OH2 OT -0.834000 15.9994 0 + 1785 WT0 1122 TIP3 H1 HT 0.417000 1.0080 0 + 1786 WT0 1122 TIP3 H2 HT 0.417000 1.0080 0 + 1787 WT0 1123 TIP3 OH2 OT -0.834000 15.9994 0 + 1788 WT0 1123 TIP3 H1 HT 0.417000 1.0080 0 + 1789 WT0 1123 TIP3 H2 HT 0.417000 1.0080 0 + 1790 WT0 1125 TIP3 OH2 OT -0.834000 15.9994 0 + 1791 WT0 1125 TIP3 H1 HT 0.417000 1.0080 0 + 1792 WT0 1125 TIP3 H2 HT 0.417000 1.0080 0 + 1793 WT0 1127 TIP3 OH2 OT -0.834000 15.9994 0 + 1794 WT0 1127 TIP3 H1 HT 0.417000 1.0080 0 + 1795 WT0 1127 TIP3 H2 HT 0.417000 1.0080 0 + 1796 WT0 1128 TIP3 OH2 OT -0.834000 15.9994 0 + 1797 WT0 1128 TIP3 H1 HT 0.417000 1.0080 0 + 1798 WT0 1128 TIP3 H2 HT 0.417000 1.0080 0 + 1799 WT0 1133 TIP3 OH2 OT -0.834000 15.9994 0 + 1800 WT0 1133 TIP3 H1 HT 0.417000 1.0080 0 + 1801 WT0 1133 TIP3 H2 HT 0.417000 1.0080 0 + 1802 WT0 1134 TIP3 OH2 OT -0.834000 15.9994 0 + 1803 WT0 1134 TIP3 H1 HT 0.417000 1.0080 0 + 1804 WT0 1134 TIP3 H2 HT 0.417000 1.0080 0 + 1805 WT0 1135 TIP3 OH2 OT -0.834000 15.9994 0 + 1806 WT0 1135 TIP3 H1 HT 0.417000 1.0080 0 + 1807 WT0 1135 TIP3 H2 HT 0.417000 1.0080 0 + 1808 WT0 1137 TIP3 OH2 OT -0.834000 15.9994 0 + 1809 WT0 1137 TIP3 H1 HT 0.417000 1.0080 0 + 1810 WT0 1137 TIP3 H2 HT 0.417000 1.0080 0 + 1811 WT0 1139 TIP3 OH2 OT -0.834000 15.9994 0 + 1812 WT0 1139 TIP3 H1 HT 0.417000 1.0080 0 + 1813 WT0 1139 TIP3 H2 HT 0.417000 1.0080 0 + 1814 WT0 1140 TIP3 OH2 OT -0.834000 15.9994 0 + 1815 WT0 1140 TIP3 H1 HT 0.417000 1.0080 0 + 1816 WT0 1140 TIP3 H2 HT 0.417000 1.0080 0 + 1817 WT0 1142 TIP3 OH2 OT -0.834000 15.9994 0 + 1818 WT0 1142 TIP3 H1 HT 0.417000 1.0080 0 + 1819 WT0 1142 TIP3 H2 HT 0.417000 1.0080 0 + 1820 WT0 1143 TIP3 OH2 OT -0.834000 15.9994 0 + 1821 WT0 1143 TIP3 H1 HT 0.417000 1.0080 0 + 1822 WT0 1143 TIP3 H2 HT 0.417000 1.0080 0 + 1823 WT0 1144 TIP3 OH2 OT -0.834000 15.9994 0 + 1824 WT0 1144 TIP3 H1 HT 0.417000 1.0080 0 + 1825 WT0 1144 TIP3 H2 HT 0.417000 1.0080 0 + 1826 WT0 1148 TIP3 OH2 OT -0.834000 15.9994 0 + 1827 WT0 1148 TIP3 H1 HT 0.417000 1.0080 0 + 1828 WT0 1148 TIP3 H2 HT 0.417000 1.0080 0 + 1829 WT0 1150 TIP3 OH2 OT -0.834000 15.9994 0 + 1830 WT0 1150 TIP3 H1 HT 0.417000 1.0080 0 + 1831 WT0 1150 TIP3 H2 HT 0.417000 1.0080 0 + 1832 WT0 1153 TIP3 OH2 OT -0.834000 15.9994 0 + 1833 WT0 1153 TIP3 H1 HT 0.417000 1.0080 0 + 1834 WT0 1153 TIP3 H2 HT 0.417000 1.0080 0 + 1835 WT0 1158 TIP3 OH2 OT -0.834000 15.9994 0 + 1836 WT0 1158 TIP3 H1 HT 0.417000 1.0080 0 + 1837 WT0 1158 TIP3 H2 HT 0.417000 1.0080 0 + 1838 WT0 1160 TIP3 OH2 OT -0.834000 15.9994 0 + 1839 WT0 1160 TIP3 H1 HT 0.417000 1.0080 0 + 1840 WT0 1160 TIP3 H2 HT 0.417000 1.0080 0 + 1841 WT0 1163 TIP3 OH2 OT -0.834000 15.9994 0 + 1842 WT0 1163 TIP3 H1 HT 0.417000 1.0080 0 + 1843 WT0 1163 TIP3 H2 HT 0.417000 1.0080 0 + 1844 WT0 1166 TIP3 OH2 OT -0.834000 15.9994 0 + 1845 WT0 1166 TIP3 H1 HT 0.417000 1.0080 0 + 1846 WT0 1166 TIP3 H2 HT 0.417000 1.0080 0 + 1847 WT0 1167 TIP3 OH2 OT -0.834000 15.9994 0 + 1848 WT0 1167 TIP3 H1 HT 0.417000 1.0080 0 + 1849 WT0 1167 TIP3 H2 HT 0.417000 1.0080 0 + 1850 WT0 1168 TIP3 OH2 OT -0.834000 15.9994 0 + 1851 WT0 1168 TIP3 H1 HT 0.417000 1.0080 0 + 1852 WT0 1168 TIP3 H2 HT 0.417000 1.0080 0 + 1853 WT0 1177 TIP3 OH2 OT -0.834000 15.9994 0 + 1854 WT0 1177 TIP3 H1 HT 0.417000 1.0080 0 + 1855 WT0 1177 TIP3 H2 HT 0.417000 1.0080 0 + 1856 WT0 1178 TIP3 OH2 OT -0.834000 15.9994 0 + 1857 WT0 1178 TIP3 H1 HT 0.417000 1.0080 0 + 1858 WT0 1178 TIP3 H2 HT 0.417000 1.0080 0 + 1859 WT0 1179 TIP3 OH2 OT -0.834000 15.9994 0 + 1860 WT0 1179 TIP3 H1 HT 0.417000 1.0080 0 + 1861 WT0 1179 TIP3 H2 HT 0.417000 1.0080 0 + 1862 WT0 1180 TIP3 OH2 OT -0.834000 15.9994 0 + 1863 WT0 1180 TIP3 H1 HT 0.417000 1.0080 0 + 1864 WT0 1180 TIP3 H2 HT 0.417000 1.0080 0 + 1865 WT0 1181 TIP3 OH2 OT -0.834000 15.9994 0 + 1866 WT0 1181 TIP3 H1 HT 0.417000 1.0080 0 + 1867 WT0 1181 TIP3 H2 HT 0.417000 1.0080 0 + 1868 WT0 1182 TIP3 OH2 OT -0.834000 15.9994 0 + 1869 WT0 1182 TIP3 H1 HT 0.417000 1.0080 0 + 1870 WT0 1182 TIP3 H2 HT 0.417000 1.0080 0 + 1871 WT0 1183 TIP3 OH2 OT -0.834000 15.9994 0 + 1872 WT0 1183 TIP3 H1 HT 0.417000 1.0080 0 + 1873 WT0 1183 TIP3 H2 HT 0.417000 1.0080 0 + 1874 WT0 1186 TIP3 OH2 OT -0.834000 15.9994 0 + 1875 WT0 1186 TIP3 H1 HT 0.417000 1.0080 0 + 1876 WT0 1186 TIP3 H2 HT 0.417000 1.0080 0 + 1877 WT0 1188 TIP3 OH2 OT -0.834000 15.9994 0 + 1878 WT0 1188 TIP3 H1 HT 0.417000 1.0080 0 + 1879 WT0 1188 TIP3 H2 HT 0.417000 1.0080 0 + 1880 WT0 1192 TIP3 OH2 OT -0.834000 15.9994 0 + 1881 WT0 1192 TIP3 H1 HT 0.417000 1.0080 0 + 1882 WT0 1192 TIP3 H2 HT 0.417000 1.0080 0 + 1883 WT0 1193 TIP3 OH2 OT -0.834000 15.9994 0 + 1884 WT0 1193 TIP3 H1 HT 0.417000 1.0080 0 + 1885 WT0 1193 TIP3 H2 HT 0.417000 1.0080 0 + 1886 WT0 1194 TIP3 OH2 OT -0.834000 15.9994 0 + 1887 WT0 1194 TIP3 H1 HT 0.417000 1.0080 0 + 1888 WT0 1194 TIP3 H2 HT 0.417000 1.0080 0 + 1889 WT0 1195 TIP3 OH2 OT -0.834000 15.9994 0 + 1890 WT0 1195 TIP3 H1 HT 0.417000 1.0080 0 + 1891 WT0 1195 TIP3 H2 HT 0.417000 1.0080 0 + 1892 WT0 1197 TIP3 OH2 OT -0.834000 15.9994 0 + 1893 WT0 1197 TIP3 H1 HT 0.417000 1.0080 0 + 1894 WT0 1197 TIP3 H2 HT 0.417000 1.0080 0 + 1895 WT0 1200 TIP3 OH2 OT -0.834000 15.9994 0 + 1896 WT0 1200 TIP3 H1 HT 0.417000 1.0080 0 + 1897 WT0 1200 TIP3 H2 HT 0.417000 1.0080 0 + 1898 WT0 1201 TIP3 OH2 OT -0.834000 15.9994 0 + 1899 WT0 1201 TIP3 H1 HT 0.417000 1.0080 0 + 1900 WT0 1201 TIP3 H2 HT 0.417000 1.0080 0 + 1901 WT0 1202 TIP3 OH2 OT -0.834000 15.9994 0 + 1902 WT0 1202 TIP3 H1 HT 0.417000 1.0080 0 + 1903 WT0 1202 TIP3 H2 HT 0.417000 1.0080 0 + 1904 WT0 1204 TIP3 OH2 OT -0.834000 15.9994 0 + 1905 WT0 1204 TIP3 H1 HT 0.417000 1.0080 0 + 1906 WT0 1204 TIP3 H2 HT 0.417000 1.0080 0 + 1907 WT0 1206 TIP3 OH2 OT -0.834000 15.9994 0 + 1908 WT0 1206 TIP3 H1 HT 0.417000 1.0080 0 + 1909 WT0 1206 TIP3 H2 HT 0.417000 1.0080 0 + 1910 WT0 1208 TIP3 OH2 OT -0.834000 15.9994 0 + 1911 WT0 1208 TIP3 H1 HT 0.417000 1.0080 0 + 1912 WT0 1208 TIP3 H2 HT 0.417000 1.0080 0 + 1913 WT0 1209 TIP3 OH2 OT -0.834000 15.9994 0 + 1914 WT0 1209 TIP3 H1 HT 0.417000 1.0080 0 + 1915 WT0 1209 TIP3 H2 HT 0.417000 1.0080 0 + 1916 WT0 1210 TIP3 OH2 OT -0.834000 15.9994 0 + 1917 WT0 1210 TIP3 H1 HT 0.417000 1.0080 0 + 1918 WT0 1210 TIP3 H2 HT 0.417000 1.0080 0 + 1919 WT0 1211 TIP3 OH2 OT -0.834000 15.9994 0 + 1920 WT0 1211 TIP3 H1 HT 0.417000 1.0080 0 + 1921 WT0 1211 TIP3 H2 HT 0.417000 1.0080 0 + 1922 WT0 1212 TIP3 OH2 OT -0.834000 15.9994 0 + 1923 WT0 1212 TIP3 H1 HT 0.417000 1.0080 0 + 1924 WT0 1212 TIP3 H2 HT 0.417000 1.0080 0 + 1925 WT0 1214 TIP3 OH2 OT -0.834000 15.9994 0 + 1926 WT0 1214 TIP3 H1 HT 0.417000 1.0080 0 + 1927 WT0 1214 TIP3 H2 HT 0.417000 1.0080 0 + 1928 WT0 1215 TIP3 OH2 OT -0.834000 15.9994 0 + 1929 WT0 1215 TIP3 H1 HT 0.417000 1.0080 0 + 1930 WT0 1215 TIP3 H2 HT 0.417000 1.0080 0 + 1931 WT0 1217 TIP3 OH2 OT -0.834000 15.9994 0 + 1932 WT0 1217 TIP3 H1 HT 0.417000 1.0080 0 + 1933 WT0 1217 TIP3 H2 HT 0.417000 1.0080 0 + 1934 WT0 1222 TIP3 OH2 OT -0.834000 15.9994 0 + 1935 WT0 1222 TIP3 H1 HT 0.417000 1.0080 0 + 1936 WT0 1222 TIP3 H2 HT 0.417000 1.0080 0 + 1937 WT0 1223 TIP3 OH2 OT -0.834000 15.9994 0 + 1938 WT0 1223 TIP3 H1 HT 0.417000 1.0080 0 + 1939 WT0 1223 TIP3 H2 HT 0.417000 1.0080 0 + 1940 WT0 1224 TIP3 OH2 OT -0.834000 15.9994 0 + 1941 WT0 1224 TIP3 H1 HT 0.417000 1.0080 0 + 1942 WT0 1224 TIP3 H2 HT 0.417000 1.0080 0 + 1943 WT0 1230 TIP3 OH2 OT -0.834000 15.9994 0 + 1944 WT0 1230 TIP3 H1 HT 0.417000 1.0080 0 + 1945 WT0 1230 TIP3 H2 HT 0.417000 1.0080 0 + 1946 WT0 1232 TIP3 OH2 OT -0.834000 15.9994 0 + 1947 WT0 1232 TIP3 H1 HT 0.417000 1.0080 0 + 1948 WT0 1232 TIP3 H2 HT 0.417000 1.0080 0 + 1949 WT0 1234 TIP3 OH2 OT -0.834000 15.9994 0 + 1950 WT0 1234 TIP3 H1 HT 0.417000 1.0080 0 + 1951 WT0 1234 TIP3 H2 HT 0.417000 1.0080 0 + 1952 WT0 1248 TIP3 OH2 OT -0.834000 15.9994 0 + 1953 WT0 1248 TIP3 H1 HT 0.417000 1.0080 0 + 1954 WT0 1248 TIP3 H2 HT 0.417000 1.0080 0 + 1955 WT0 1263 TIP3 OH2 OT -0.834000 15.9994 0 + 1956 WT0 1263 TIP3 H1 HT 0.417000 1.0080 0 + 1957 WT0 1263 TIP3 H2 HT 0.417000 1.0080 0 + 1958 WT0 1267 TIP3 OH2 OT -0.834000 15.9994 0 + 1959 WT0 1267 TIP3 H1 HT 0.417000 1.0080 0 + 1960 WT0 1267 TIP3 H2 HT 0.417000 1.0080 0 + 1961 WT0 1271 TIP3 OH2 OT -0.834000 15.9994 0 + 1962 WT0 1271 TIP3 H1 HT 0.417000 1.0080 0 + 1963 WT0 1271 TIP3 H2 HT 0.417000 1.0080 0 + 1964 WT0 1272 TIP3 OH2 OT -0.834000 15.9994 0 + 1965 WT0 1272 TIP3 H1 HT 0.417000 1.0080 0 + 1966 WT0 1272 TIP3 H2 HT 0.417000 1.0080 0 + 1967 WT0 1274 TIP3 OH2 OT -0.834000 15.9994 0 + 1968 WT0 1274 TIP3 H1 HT 0.417000 1.0080 0 + 1969 WT0 1274 TIP3 H2 HT 0.417000 1.0080 0 + 1970 WT0 1278 TIP3 OH2 OT -0.834000 15.9994 0 + 1971 WT0 1278 TIP3 H1 HT 0.417000 1.0080 0 + 1972 WT0 1278 TIP3 H2 HT 0.417000 1.0080 0 + 1973 WT0 1287 TIP3 OH2 OT -0.834000 15.9994 0 + 1974 WT0 1287 TIP3 H1 HT 0.417000 1.0080 0 + 1975 WT0 1287 TIP3 H2 HT 0.417000 1.0080 0 + 1976 WT0 1297 TIP3 OH2 OT -0.834000 15.9994 0 + 1977 WT0 1297 TIP3 H1 HT 0.417000 1.0080 0 + 1978 WT0 1297 TIP3 H2 HT 0.417000 1.0080 0 + 1979 WT0 1298 TIP3 OH2 OT -0.834000 15.9994 0 + 1980 WT0 1298 TIP3 H1 HT 0.417000 1.0080 0 + 1981 WT0 1298 TIP3 H2 HT 0.417000 1.0080 0 + 1982 WT0 1301 TIP3 OH2 OT -0.834000 15.9994 0 + 1983 WT0 1301 TIP3 H1 HT 0.417000 1.0080 0 + 1984 WT0 1301 TIP3 H2 HT 0.417000 1.0080 0 + 1985 WT0 1307 TIP3 OH2 OT -0.834000 15.9994 0 + 1986 WT0 1307 TIP3 H1 HT 0.417000 1.0080 0 + 1987 WT0 1307 TIP3 H2 HT 0.417000 1.0080 0 + 1988 WT0 1308 TIP3 OH2 OT -0.834000 15.9994 0 + 1989 WT0 1308 TIP3 H1 HT 0.417000 1.0080 0 + 1990 WT0 1308 TIP3 H2 HT 0.417000 1.0080 0 + 1991 WT0 1309 TIP3 OH2 OT -0.834000 15.9994 0 + 1992 WT0 1309 TIP3 H1 HT 0.417000 1.0080 0 + 1993 WT0 1309 TIP3 H2 HT 0.417000 1.0080 0 + 1994 WT0 1311 TIP3 OH2 OT -0.834000 15.9994 0 + 1995 WT0 1311 TIP3 H1 HT 0.417000 1.0080 0 + 1996 WT0 1311 TIP3 H2 HT 0.417000 1.0080 0 + 1997 WT0 1313 TIP3 OH2 OT -0.834000 15.9994 0 + 1998 WT0 1313 TIP3 H1 HT 0.417000 1.0080 0 + 1999 WT0 1313 TIP3 H2 HT 0.417000 1.0080 0 + 2000 WT0 1317 TIP3 OH2 OT -0.834000 15.9994 0 + 2001 WT0 1317 TIP3 H1 HT 0.417000 1.0080 0 + 2002 WT0 1317 TIP3 H2 HT 0.417000 1.0080 0 + 2003 WT0 1326 TIP3 OH2 OT -0.834000 15.9994 0 + 2004 WT0 1326 TIP3 H1 HT 0.417000 1.0080 0 + 2005 WT0 1326 TIP3 H2 HT 0.417000 1.0080 0 + 2006 WT0 1327 TIP3 OH2 OT -0.834000 15.9994 0 + 2007 WT0 1327 TIP3 H1 HT 0.417000 1.0080 0 + 2008 WT0 1327 TIP3 H2 HT 0.417000 1.0080 0 + 2009 WT0 1328 TIP3 OH2 OT -0.834000 15.9994 0 + 2010 WT0 1328 TIP3 H1 HT 0.417000 1.0080 0 + 2011 WT0 1328 TIP3 H2 HT 0.417000 1.0080 0 + 2012 WT0 1329 TIP3 OH2 OT -0.834000 15.9994 0 + 2013 WT0 1329 TIP3 H1 HT 0.417000 1.0080 0 + 2014 WT0 1329 TIP3 H2 HT 0.417000 1.0080 0 + 2015 WT0 1330 TIP3 OH2 OT -0.834000 15.9994 0 + 2016 WT0 1330 TIP3 H1 HT 0.417000 1.0080 0 + 2017 WT0 1330 TIP3 H2 HT 0.417000 1.0080 0 + 2018 WT0 1332 TIP3 OH2 OT -0.834000 15.9994 0 + 2019 WT0 1332 TIP3 H1 HT 0.417000 1.0080 0 + 2020 WT0 1332 TIP3 H2 HT 0.417000 1.0080 0 + 2021 WT0 1333 TIP3 OH2 OT -0.834000 15.9994 0 + 2022 WT0 1333 TIP3 H1 HT 0.417000 1.0080 0 + 2023 WT0 1333 TIP3 H2 HT 0.417000 1.0080 0 + 2024 WT0 1334 TIP3 OH2 OT -0.834000 15.9994 0 + 2025 WT0 1334 TIP3 H1 HT 0.417000 1.0080 0 + 2026 WT0 1334 TIP3 H2 HT 0.417000 1.0080 0 + 2027 WT0 1337 TIP3 OH2 OT -0.834000 15.9994 0 + 2028 WT0 1337 TIP3 H1 HT 0.417000 1.0080 0 + 2029 WT0 1337 TIP3 H2 HT 0.417000 1.0080 0 + 2030 WT0 1344 TIP3 OH2 OT -0.834000 15.9994 0 + 2031 WT0 1344 TIP3 H1 HT 0.417000 1.0080 0 + 2032 WT0 1344 TIP3 H2 HT 0.417000 1.0080 0 + 2033 WT0 1346 TIP3 OH2 OT -0.834000 15.9994 0 + 2034 WT0 1346 TIP3 H1 HT 0.417000 1.0080 0 + 2035 WT0 1346 TIP3 H2 HT 0.417000 1.0080 0 + 2036 WT0 1347 TIP3 OH2 OT -0.834000 15.9994 0 + 2037 WT0 1347 TIP3 H1 HT 0.417000 1.0080 0 + 2038 WT0 1347 TIP3 H2 HT 0.417000 1.0080 0 + 2039 WT0 1349 TIP3 OH2 OT -0.834000 15.9994 0 + 2040 WT0 1349 TIP3 H1 HT 0.417000 1.0080 0 + 2041 WT0 1349 TIP3 H2 HT 0.417000 1.0080 0 + 2042 WT0 1352 TIP3 OH2 OT -0.834000 15.9994 0 + 2043 WT0 1352 TIP3 H1 HT 0.417000 1.0080 0 + 2044 WT0 1352 TIP3 H2 HT 0.417000 1.0080 0 + 2045 WT0 1354 TIP3 OH2 OT -0.834000 15.9994 0 + 2046 WT0 1354 TIP3 H1 HT 0.417000 1.0080 0 + 2047 WT0 1354 TIP3 H2 HT 0.417000 1.0080 0 + 2048 WT0 1355 TIP3 OH2 OT -0.834000 15.9994 0 + 2049 WT0 1355 TIP3 H1 HT 0.417000 1.0080 0 + 2050 WT0 1355 TIP3 H2 HT 0.417000 1.0080 0 + 2051 WT0 1356 TIP3 OH2 OT -0.834000 15.9994 0 + 2052 WT0 1356 TIP3 H1 HT 0.417000 1.0080 0 + 2053 WT0 1356 TIP3 H2 HT 0.417000 1.0080 0 + 2054 WT0 1357 TIP3 OH2 OT -0.834000 15.9994 0 + 2055 WT0 1357 TIP3 H1 HT 0.417000 1.0080 0 + 2056 WT0 1357 TIP3 H2 HT 0.417000 1.0080 0 + 2057 WT0 1367 TIP3 OH2 OT -0.834000 15.9994 0 + 2058 WT0 1367 TIP3 H1 HT 0.417000 1.0080 0 + 2059 WT0 1367 TIP3 H2 HT 0.417000 1.0080 0 + 2060 WT0 1368 TIP3 OH2 OT -0.834000 15.9994 0 + 2061 WT0 1368 TIP3 H1 HT 0.417000 1.0080 0 + 2062 WT0 1368 TIP3 H2 HT 0.417000 1.0080 0 + 2063 WT0 1370 TIP3 OH2 OT -0.834000 15.9994 0 + 2064 WT0 1370 TIP3 H1 HT 0.417000 1.0080 0 + 2065 WT0 1370 TIP3 H2 HT 0.417000 1.0080 0 + 2066 WT0 1371 TIP3 OH2 OT -0.834000 15.9994 0 + 2067 WT0 1371 TIP3 H1 HT 0.417000 1.0080 0 + 2068 WT0 1371 TIP3 H2 HT 0.417000 1.0080 0 + 2069 WT0 1372 TIP3 OH2 OT -0.834000 15.9994 0 + 2070 WT0 1372 TIP3 H1 HT 0.417000 1.0080 0 + 2071 WT0 1372 TIP3 H2 HT 0.417000 1.0080 0 + 2072 WT0 1374 TIP3 OH2 OT -0.834000 15.9994 0 + 2073 WT0 1374 TIP3 H1 HT 0.417000 1.0080 0 + 2074 WT0 1374 TIP3 H2 HT 0.417000 1.0080 0 + 2075 WT0 1376 TIP3 OH2 OT -0.834000 15.9994 0 + 2076 WT0 1376 TIP3 H1 HT 0.417000 1.0080 0 + 2077 WT0 1376 TIP3 H2 HT 0.417000 1.0080 0 + 2078 WT0 1379 TIP3 OH2 OT -0.834000 15.9994 0 + 2079 WT0 1379 TIP3 H1 HT 0.417000 1.0080 0 + 2080 WT0 1379 TIP3 H2 HT 0.417000 1.0080 0 + 2081 WT0 1380 TIP3 OH2 OT -0.834000 15.9994 0 + 2082 WT0 1380 TIP3 H1 HT 0.417000 1.0080 0 + 2083 WT0 1380 TIP3 H2 HT 0.417000 1.0080 0 + 2084 WT0 1387 TIP3 OH2 OT -0.834000 15.9994 0 + 2085 WT0 1387 TIP3 H1 HT 0.417000 1.0080 0 + 2086 WT0 1387 TIP3 H2 HT 0.417000 1.0080 0 + 2087 WT0 1388 TIP3 OH2 OT -0.834000 15.9994 0 + 2088 WT0 1388 TIP3 H1 HT 0.417000 1.0080 0 + 2089 WT0 1388 TIP3 H2 HT 0.417000 1.0080 0 + 2090 WT0 1389 TIP3 OH2 OT -0.834000 15.9994 0 + 2091 WT0 1389 TIP3 H1 HT 0.417000 1.0080 0 + 2092 WT0 1389 TIP3 H2 HT 0.417000 1.0080 0 + 2093 WT0 1392 TIP3 OH2 OT -0.834000 15.9994 0 + 2094 WT0 1392 TIP3 H1 HT 0.417000 1.0080 0 + 2095 WT0 1392 TIP3 H2 HT 0.417000 1.0080 0 + 2096 WT0 1394 TIP3 OH2 OT -0.834000 15.9994 0 + 2097 WT0 1394 TIP3 H1 HT 0.417000 1.0080 0 + 2098 WT0 1394 TIP3 H2 HT 0.417000 1.0080 0 + 2099 WT0 1395 TIP3 OH2 OT -0.834000 15.9994 0 + 2100 WT0 1395 TIP3 H1 HT 0.417000 1.0080 0 + 2101 WT0 1395 TIP3 H2 HT 0.417000 1.0080 0 + 2102 WT0 1396 TIP3 OH2 OT -0.834000 15.9994 0 + 2103 WT0 1396 TIP3 H1 HT 0.417000 1.0080 0 + 2104 WT0 1396 TIP3 H2 HT 0.417000 1.0080 0 + 2105 WT0 1398 TIP3 OH2 OT -0.834000 15.9994 0 + 2106 WT0 1398 TIP3 H1 HT 0.417000 1.0080 0 + 2107 WT0 1398 TIP3 H2 HT 0.417000 1.0080 0 + 2108 WT0 1400 TIP3 OH2 OT -0.834000 15.9994 0 + 2109 WT0 1400 TIP3 H1 HT 0.417000 1.0080 0 + 2110 WT0 1400 TIP3 H2 HT 0.417000 1.0080 0 + 2111 WT0 1401 TIP3 OH2 OT -0.834000 15.9994 0 + 2112 WT0 1401 TIP3 H1 HT 0.417000 1.0080 0 + 2113 WT0 1401 TIP3 H2 HT 0.417000 1.0080 0 + 2114 WT0 1404 TIP3 OH2 OT -0.834000 15.9994 0 + 2115 WT0 1404 TIP3 H1 HT 0.417000 1.0080 0 + 2116 WT0 1404 TIP3 H2 HT 0.417000 1.0080 0 + 2117 WT0 1407 TIP3 OH2 OT -0.834000 15.9994 0 + 2118 WT0 1407 TIP3 H1 HT 0.417000 1.0080 0 + 2119 WT0 1407 TIP3 H2 HT 0.417000 1.0080 0 + 2120 WT0 1408 TIP3 OH2 OT -0.834000 15.9994 0 + 2121 WT0 1408 TIP3 H1 HT 0.417000 1.0080 0 + 2122 WT0 1408 TIP3 H2 HT 0.417000 1.0080 0 + 2123 WT0 1411 TIP3 OH2 OT -0.834000 15.9994 0 + 2124 WT0 1411 TIP3 H1 HT 0.417000 1.0080 0 + 2125 WT0 1411 TIP3 H2 HT 0.417000 1.0080 0 + 2126 WT0 1412 TIP3 OH2 OT -0.834000 15.9994 0 + 2127 WT0 1412 TIP3 H1 HT 0.417000 1.0080 0 + 2128 WT0 1412 TIP3 H2 HT 0.417000 1.0080 0 + 2129 WT0 1413 TIP3 OH2 OT -0.834000 15.9994 0 + 2130 WT0 1413 TIP3 H1 HT 0.417000 1.0080 0 + 2131 WT0 1413 TIP3 H2 HT 0.417000 1.0080 0 + 2132 WT0 1414 TIP3 OH2 OT -0.834000 15.9994 0 + 2133 WT0 1414 TIP3 H1 HT 0.417000 1.0080 0 + 2134 WT0 1414 TIP3 H2 HT 0.417000 1.0080 0 + 2135 WT0 1415 TIP3 OH2 OT -0.834000 15.9994 0 + 2136 WT0 1415 TIP3 H1 HT 0.417000 1.0080 0 + 2137 WT0 1415 TIP3 H2 HT 0.417000 1.0080 0 + 2138 WT0 1416 TIP3 OH2 OT -0.834000 15.9994 0 + 2139 WT0 1416 TIP3 H1 HT 0.417000 1.0080 0 + 2140 WT0 1416 TIP3 H2 HT 0.417000 1.0080 0 + 2141 WT0 1417 TIP3 OH2 OT -0.834000 15.9994 0 + 2142 WT0 1417 TIP3 H1 HT 0.417000 1.0080 0 + 2143 WT0 1417 TIP3 H2 HT 0.417000 1.0080 0 + 2144 WT0 1418 TIP3 OH2 OT -0.834000 15.9994 0 + 2145 WT0 1418 TIP3 H1 HT 0.417000 1.0080 0 + 2146 WT0 1418 TIP3 H2 HT 0.417000 1.0080 0 + 2147 WT0 1419 TIP3 OH2 OT -0.834000 15.9994 0 + 2148 WT0 1419 TIP3 H1 HT 0.417000 1.0080 0 + 2149 WT0 1419 TIP3 H2 HT 0.417000 1.0080 0 + 2150 WT0 1421 TIP3 OH2 OT -0.834000 15.9994 0 + 2151 WT0 1421 TIP3 H1 HT 0.417000 1.0080 0 + 2152 WT0 1421 TIP3 H2 HT 0.417000 1.0080 0 + 2153 WT0 1424 TIP3 OH2 OT -0.834000 15.9994 0 + 2154 WT0 1424 TIP3 H1 HT 0.417000 1.0080 0 + 2155 WT0 1424 TIP3 H2 HT 0.417000 1.0080 0 + 2156 WT0 1428 TIP3 OH2 OT -0.834000 15.9994 0 + 2157 WT0 1428 TIP3 H1 HT 0.417000 1.0080 0 + 2158 WT0 1428 TIP3 H2 HT 0.417000 1.0080 0 + 2159 WT0 1429 TIP3 OH2 OT -0.834000 15.9994 0 + 2160 WT0 1429 TIP3 H1 HT 0.417000 1.0080 0 + 2161 WT0 1429 TIP3 H2 HT 0.417000 1.0080 0 + 2162 WT0 1430 TIP3 OH2 OT -0.834000 15.9994 0 + 2163 WT0 1430 TIP3 H1 HT 0.417000 1.0080 0 + 2164 WT0 1430 TIP3 H2 HT 0.417000 1.0080 0 + 2165 WT0 1431 TIP3 OH2 OT -0.834000 15.9994 0 + 2166 WT0 1431 TIP3 H1 HT 0.417000 1.0080 0 + 2167 WT0 1431 TIP3 H2 HT 0.417000 1.0080 0 + 2168 WT0 1433 TIP3 OH2 OT -0.834000 15.9994 0 + 2169 WT0 1433 TIP3 H1 HT 0.417000 1.0080 0 + 2170 WT0 1433 TIP3 H2 HT 0.417000 1.0080 0 + 2171 WT0 1435 TIP3 OH2 OT -0.834000 15.9994 0 + 2172 WT0 1435 TIP3 H1 HT 0.417000 1.0080 0 + 2173 WT0 1435 TIP3 H2 HT 0.417000 1.0080 0 + 2174 WT0 1436 TIP3 OH2 OT -0.834000 15.9994 0 + 2175 WT0 1436 TIP3 H1 HT 0.417000 1.0080 0 + 2176 WT0 1436 TIP3 H2 HT 0.417000 1.0080 0 + 2177 WT0 1437 TIP3 OH2 OT -0.834000 15.9994 0 + 2178 WT0 1437 TIP3 H1 HT 0.417000 1.0080 0 + 2179 WT0 1437 TIP3 H2 HT 0.417000 1.0080 0 + 2180 WT0 1439 TIP3 OH2 OT -0.834000 15.9994 0 + 2181 WT0 1439 TIP3 H1 HT 0.417000 1.0080 0 + 2182 WT0 1439 TIP3 H2 HT 0.417000 1.0080 0 + 2183 WT0 1440 TIP3 OH2 OT -0.834000 15.9994 0 + 2184 WT0 1440 TIP3 H1 HT 0.417000 1.0080 0 + 2185 WT0 1440 TIP3 H2 HT 0.417000 1.0080 0 + 2186 WT0 1442 TIP3 OH2 OT -0.834000 15.9994 0 + 2187 WT0 1442 TIP3 H1 HT 0.417000 1.0080 0 + 2188 WT0 1442 TIP3 H2 HT 0.417000 1.0080 0 + 2189 WT0 1443 TIP3 OH2 OT -0.834000 15.9994 0 + 2190 WT0 1443 TIP3 H1 HT 0.417000 1.0080 0 + 2191 WT0 1443 TIP3 H2 HT 0.417000 1.0080 0 + 2192 WT0 1444 TIP3 OH2 OT -0.834000 15.9994 0 + 2193 WT0 1444 TIP3 H1 HT 0.417000 1.0080 0 + 2194 WT0 1444 TIP3 H2 HT 0.417000 1.0080 0 + 2195 WT0 1450 TIP3 OH2 OT -0.834000 15.9994 0 + 2196 WT0 1450 TIP3 H1 HT 0.417000 1.0080 0 + 2197 WT0 1450 TIP3 H2 HT 0.417000 1.0080 0 + 2198 WT0 1451 TIP3 OH2 OT -0.834000 15.9994 0 + 2199 WT0 1451 TIP3 H1 HT 0.417000 1.0080 0 + 2200 WT0 1451 TIP3 H2 HT 0.417000 1.0080 0 + 2201 WT0 1453 TIP3 OH2 OT -0.834000 15.9994 0 + 2202 WT0 1453 TIP3 H1 HT 0.417000 1.0080 0 + 2203 WT0 1453 TIP3 H2 HT 0.417000 1.0080 0 + 2204 WT0 1454 TIP3 OH2 OT -0.834000 15.9994 0 + 2205 WT0 1454 TIP3 H1 HT 0.417000 1.0080 0 + 2206 WT0 1454 TIP3 H2 HT 0.417000 1.0080 0 + 2207 WT0 1455 TIP3 OH2 OT -0.834000 15.9994 0 + 2208 WT0 1455 TIP3 H1 HT 0.417000 1.0080 0 + 2209 WT0 1455 TIP3 H2 HT 0.417000 1.0080 0 + 2210 WT0 1456 TIP3 OH2 OT -0.834000 15.9994 0 + 2211 WT0 1456 TIP3 H1 HT 0.417000 1.0080 0 + 2212 WT0 1456 TIP3 H2 HT 0.417000 1.0080 0 + 2213 WT0 1457 TIP3 OH2 OT -0.834000 15.9994 0 + 2214 WT0 1457 TIP3 H1 HT 0.417000 1.0080 0 + 2215 WT0 1457 TIP3 H2 HT 0.417000 1.0080 0 + 2216 WT0 1458 TIP3 OH2 OT -0.834000 15.9994 0 + 2217 WT0 1458 TIP3 H1 HT 0.417000 1.0080 0 + 2218 WT0 1458 TIP3 H2 HT 0.417000 1.0080 0 + 2219 WT0 1459 TIP3 OH2 OT -0.834000 15.9994 0 + 2220 WT0 1459 TIP3 H1 HT 0.417000 1.0080 0 + 2221 WT0 1459 TIP3 H2 HT 0.417000 1.0080 0 + 2222 WT0 1461 TIP3 OH2 OT -0.834000 15.9994 0 + 2223 WT0 1461 TIP3 H1 HT 0.417000 1.0080 0 + 2224 WT0 1461 TIP3 H2 HT 0.417000 1.0080 0 + 2225 WT0 1463 TIP3 OH2 OT -0.834000 15.9994 0 + 2226 WT0 1463 TIP3 H1 HT 0.417000 1.0080 0 + 2227 WT0 1463 TIP3 H2 HT 0.417000 1.0080 0 + 2228 WT0 1464 TIP3 OH2 OT -0.834000 15.9994 0 + 2229 WT0 1464 TIP3 H1 HT 0.417000 1.0080 0 + 2230 WT0 1464 TIP3 H2 HT 0.417000 1.0080 0 + 2231 WT0 1466 TIP3 OH2 OT -0.834000 15.9994 0 + 2232 WT0 1466 TIP3 H1 HT 0.417000 1.0080 0 + 2233 WT0 1466 TIP3 H2 HT 0.417000 1.0080 0 + 2234 WT0 1471 TIP3 OH2 OT -0.834000 15.9994 0 + 2235 WT0 1471 TIP3 H1 HT 0.417000 1.0080 0 + 2236 WT0 1471 TIP3 H2 HT 0.417000 1.0080 0 + 2237 WT0 1474 TIP3 OH2 OT -0.834000 15.9994 0 + 2238 WT0 1474 TIP3 H1 HT 0.417000 1.0080 0 + 2239 WT0 1474 TIP3 H2 HT 0.417000 1.0080 0 + 2240 WT0 1476 TIP3 OH2 OT -0.834000 15.9994 0 + 2241 WT0 1476 TIP3 H1 HT 0.417000 1.0080 0 + 2242 WT0 1476 TIP3 H2 HT 0.417000 1.0080 0 + 2243 WT0 1477 TIP3 OH2 OT -0.834000 15.9994 0 + 2244 WT0 1477 TIP3 H1 HT 0.417000 1.0080 0 + 2245 WT0 1477 TIP3 H2 HT 0.417000 1.0080 0 + 2246 WT0 1479 TIP3 OH2 OT -0.834000 15.9994 0 + 2247 WT0 1479 TIP3 H1 HT 0.417000 1.0080 0 + 2248 WT0 1479 TIP3 H2 HT 0.417000 1.0080 0 + 2249 WT0 1480 TIP3 OH2 OT -0.834000 15.9994 0 + 2250 WT0 1480 TIP3 H1 HT 0.417000 1.0080 0 + 2251 WT0 1480 TIP3 H2 HT 0.417000 1.0080 0 + 2252 WT0 1483 TIP3 OH2 OT -0.834000 15.9994 0 + 2253 WT0 1483 TIP3 H1 HT 0.417000 1.0080 0 + 2254 WT0 1483 TIP3 H2 HT 0.417000 1.0080 0 + 2255 WT0 1485 TIP3 OH2 OT -0.834000 15.9994 0 + 2256 WT0 1485 TIP3 H1 HT 0.417000 1.0080 0 + 2257 WT0 1485 TIP3 H2 HT 0.417000 1.0080 0 + 2258 WT0 1492 TIP3 OH2 OT -0.834000 15.9994 0 + 2259 WT0 1492 TIP3 H1 HT 0.417000 1.0080 0 + 2260 WT0 1492 TIP3 H2 HT 0.417000 1.0080 0 + 2261 WT0 1493 TIP3 OH2 OT -0.834000 15.9994 0 + 2262 WT0 1493 TIP3 H1 HT 0.417000 1.0080 0 + 2263 WT0 1493 TIP3 H2 HT 0.417000 1.0080 0 + 2264 WT0 1494 TIP3 OH2 OT -0.834000 15.9994 0 + 2265 WT0 1494 TIP3 H1 HT 0.417000 1.0080 0 + 2266 WT0 1494 TIP3 H2 HT 0.417000 1.0080 0 + 2267 WT0 1497 TIP3 OH2 OT -0.834000 15.9994 0 + 2268 WT0 1497 TIP3 H1 HT 0.417000 1.0080 0 + 2269 WT0 1497 TIP3 H2 HT 0.417000 1.0080 0 + 2270 WT0 1499 TIP3 OH2 OT -0.834000 15.9994 0 + 2271 WT0 1499 TIP3 H1 HT 0.417000 1.0080 0 + 2272 WT0 1499 TIP3 H2 HT 0.417000 1.0080 0 + 2273 WT0 1500 TIP3 OH2 OT -0.834000 15.9994 0 + 2274 WT0 1500 TIP3 H1 HT 0.417000 1.0080 0 + 2275 WT0 1500 TIP3 H2 HT 0.417000 1.0080 0 + 2276 WT0 1501 TIP3 OH2 OT -0.834000 15.9994 0 + 2277 WT0 1501 TIP3 H1 HT 0.417000 1.0080 0 + 2278 WT0 1501 TIP3 H2 HT 0.417000 1.0080 0 + 2279 WT0 1502 TIP3 OH2 OT -0.834000 15.9994 0 + 2280 WT0 1502 TIP3 H1 HT 0.417000 1.0080 0 + 2281 WT0 1502 TIP3 H2 HT 0.417000 1.0080 0 + 2282 WT0 1505 TIP3 OH2 OT -0.834000 15.9994 0 + 2283 WT0 1505 TIP3 H1 HT 0.417000 1.0080 0 + 2284 WT0 1505 TIP3 H2 HT 0.417000 1.0080 0 + 2285 WT0 1507 TIP3 OH2 OT -0.834000 15.9994 0 + 2286 WT0 1507 TIP3 H1 HT 0.417000 1.0080 0 + 2287 WT0 1507 TIP3 H2 HT 0.417000 1.0080 0 + 2288 WT0 1512 TIP3 OH2 OT -0.834000 15.9994 0 + 2289 WT0 1512 TIP3 H1 HT 0.417000 1.0080 0 + 2290 WT0 1512 TIP3 H2 HT 0.417000 1.0080 0 + 2291 WT0 1514 TIP3 OH2 OT -0.834000 15.9994 0 + 2292 WT0 1514 TIP3 H1 HT 0.417000 1.0080 0 + 2293 WT0 1514 TIP3 H2 HT 0.417000 1.0080 0 + 2294 WT0 1515 TIP3 OH2 OT -0.834000 15.9994 0 + 2295 WT0 1515 TIP3 H1 HT 0.417000 1.0080 0 + 2296 WT0 1515 TIP3 H2 HT 0.417000 1.0080 0 + 2297 WT0 1518 TIP3 OH2 OT -0.834000 15.9994 0 + 2298 WT0 1518 TIP3 H1 HT 0.417000 1.0080 0 + 2299 WT0 1518 TIP3 H2 HT 0.417000 1.0080 0 + 2300 WT0 1519 TIP3 OH2 OT -0.834000 15.9994 0 + 2301 WT0 1519 TIP3 H1 HT 0.417000 1.0080 0 + 2302 WT0 1519 TIP3 H2 HT 0.417000 1.0080 0 + 2303 WT0 1520 TIP3 OH2 OT -0.834000 15.9994 0 + 2304 WT0 1520 TIP3 H1 HT 0.417000 1.0080 0 + 2305 WT0 1520 TIP3 H2 HT 0.417000 1.0080 0 + 2306 WT0 1522 TIP3 OH2 OT -0.834000 15.9994 0 + 2307 WT0 1522 TIP3 H1 HT 0.417000 1.0080 0 + 2308 WT0 1522 TIP3 H2 HT 0.417000 1.0080 0 + 2309 WT0 1524 TIP3 OH2 OT -0.834000 15.9994 0 + 2310 WT0 1524 TIP3 H1 HT 0.417000 1.0080 0 + 2311 WT0 1524 TIP3 H2 HT 0.417000 1.0080 0 + 2312 WT0 1526 TIP3 OH2 OT -0.834000 15.9994 0 + 2313 WT0 1526 TIP3 H1 HT 0.417000 1.0080 0 + 2314 WT0 1526 TIP3 H2 HT 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2640 WT0 1790 TIP3 H1 HT 0.417000 1.0080 0 + 2641 WT0 1790 TIP3 H2 HT 0.417000 1.0080 0 + 2642 WT0 1794 TIP3 OH2 OT -0.834000 15.9994 0 + 2643 WT0 1794 TIP3 H1 HT 0.417000 1.0080 0 + 2644 WT0 1794 TIP3 H2 HT 0.417000 1.0080 0 + 2645 WT0 1795 TIP3 OH2 OT -0.834000 15.9994 0 + 2646 WT0 1795 TIP3 H1 HT 0.417000 1.0080 0 + 2647 WT0 1795 TIP3 H2 HT 0.417000 1.0080 0 + 2648 WT0 1796 TIP3 OH2 OT -0.834000 15.9994 0 + 2649 WT0 1796 TIP3 H1 HT 0.417000 1.0080 0 + 2650 WT0 1796 TIP3 H2 HT 0.417000 1.0080 0 + 2651 WT0 1798 TIP3 OH2 OT -0.834000 15.9994 0 + 2652 WT0 1798 TIP3 H1 HT 0.417000 1.0080 0 + 2653 WT0 1798 TIP3 H2 HT 0.417000 1.0080 0 + 2654 WT0 1805 TIP3 OH2 OT -0.834000 15.9994 0 + 2655 WT0 1805 TIP3 H1 HT 0.417000 1.0080 0 + 2656 WT0 1805 TIP3 H2 HT 0.417000 1.0080 0 + 2657 WT0 1808 TIP3 OH2 OT -0.834000 15.9994 0 + 2658 WT0 1808 TIP3 H1 HT 0.417000 1.0080 0 + 2659 WT0 1808 TIP3 H2 HT 0.417000 1.0080 0 + 2660 WT0 1810 TIP3 OH2 OT -0.834000 15.9994 0 + 2661 WT0 1810 TIP3 H1 HT 0.417000 1.0080 0 + 2662 WT0 1810 TIP3 H2 HT 0.417000 1.0080 0 + 2663 WT0 1811 TIP3 OH2 OT -0.834000 15.9994 0 + 2664 WT0 1811 TIP3 H1 HT 0.417000 1.0080 0 + 2665 WT0 1811 TIP3 H2 HT 0.417000 1.0080 0 + 2666 WT0 1812 TIP3 OH2 OT -0.834000 15.9994 0 + 2667 WT0 1812 TIP3 H1 HT 0.417000 1.0080 0 + 2668 WT0 1812 TIP3 H2 HT 0.417000 1.0080 0 + 2669 WT0 1813 TIP3 OH2 OT -0.834000 15.9994 0 + 2670 WT0 1813 TIP3 H1 HT 0.417000 1.0080 0 + 2671 WT0 1813 TIP3 H2 HT 0.417000 1.0080 0 + 2672 WT0 1814 TIP3 OH2 OT -0.834000 15.9994 0 + 2673 WT0 1814 TIP3 H1 HT 0.417000 1.0080 0 + 2674 WT0 1814 TIP3 H2 HT 0.417000 1.0080 0 + 2675 WT0 1815 TIP3 OH2 OT -0.834000 15.9994 0 + 2676 WT0 1815 TIP3 H1 HT 0.417000 1.0080 0 + 2677 WT0 1815 TIP3 H2 HT 0.417000 1.0080 0 + 2678 WT0 1817 TIP3 OH2 OT -0.834000 15.9994 0 + 2679 WT0 1817 TIP3 H1 HT 0.417000 1.0080 0 + 2680 WT0 1817 TIP3 H2 HT 0.417000 1.0080 0 + 2681 WT0 1818 TIP3 OH2 OT -0.834000 15.9994 0 + 2682 WT0 1818 TIP3 H1 HT 0.417000 1.0080 0 + 2683 WT0 1818 TIP3 H2 HT 0.417000 1.0080 0 + 2684 WT0 1819 TIP3 OH2 OT -0.834000 15.9994 0 + 2685 WT0 1819 TIP3 H1 HT 0.417000 1.0080 0 + 2686 WT0 1819 TIP3 H2 HT 0.417000 1.0080 0 + 2687 WT0 1820 TIP3 OH2 OT -0.834000 15.9994 0 + 2688 WT0 1820 TIP3 H1 HT 0.417000 1.0080 0 + 2689 WT0 1820 TIP3 H2 HT 0.417000 1.0080 0 + 2690 WT0 1821 TIP3 OH2 OT -0.834000 15.9994 0 + 2691 WT0 1821 TIP3 H1 HT 0.417000 1.0080 0 + 2692 WT0 1821 TIP3 H2 HT 0.417000 1.0080 0 + 2693 WT0 1824 TIP3 OH2 OT -0.834000 15.9994 0 + 2694 WT0 1824 TIP3 H1 HT 0.417000 1.0080 0 + 2695 WT0 1824 TIP3 H2 HT 0.417000 1.0080 0 + 2696 WT0 1825 TIP3 OH2 OT -0.834000 15.9994 0 + 2697 WT0 1825 TIP3 H1 HT 0.417000 1.0080 0 + 2698 WT0 1825 TIP3 H2 HT 0.417000 1.0080 0 + 2699 WT0 1829 TIP3 OH2 OT -0.834000 15.9994 0 + 2700 WT0 1829 TIP3 H1 HT 0.417000 1.0080 0 + 2701 WT0 1829 TIP3 H2 HT 0.417000 1.0080 0 + 2702 WT0 1830 TIP3 OH2 OT -0.834000 15.9994 0 + 2703 WT0 1830 TIP3 H1 HT 0.417000 1.0080 0 + 2704 WT0 1830 TIP3 H2 HT 0.417000 1.0080 0 + 2705 WT0 1831 TIP3 OH2 OT -0.834000 15.9994 0 + 2706 WT0 1831 TIP3 H1 HT 0.417000 1.0080 0 + 2707 WT0 1831 TIP3 H2 HT 0.417000 1.0080 0 + 2708 WT0 1832 TIP3 OH2 OT -0.834000 15.9994 0 + 2709 WT0 1832 TIP3 H1 HT 0.417000 1.0080 0 + 2710 WT0 1832 TIP3 H2 HT 0.417000 1.0080 0 + 2711 WT0 1833 TIP3 OH2 OT -0.834000 15.9994 0 + 2712 WT0 1833 TIP3 H1 HT 0.417000 1.0080 0 + 2713 WT0 1833 TIP3 H2 HT 0.417000 1.0080 0 + 2714 WT0 1835 TIP3 OH2 OT -0.834000 15.9994 0 + 2715 WT0 1835 TIP3 H1 HT 0.417000 1.0080 0 + 2716 WT0 1835 TIP3 H2 HT 0.417000 1.0080 0 + 2717 WT0 1836 TIP3 OH2 OT -0.834000 15.9994 0 + 2718 WT0 1836 TIP3 H1 HT 0.417000 1.0080 0 + 2719 WT0 1836 TIP3 H2 HT 0.417000 1.0080 0 + 2720 WT0 1837 TIP3 OH2 OT -0.834000 15.9994 0 + 2721 WT0 1837 TIP3 H1 HT 0.417000 1.0080 0 + 2722 WT0 1837 TIP3 H2 HT 0.417000 1.0080 0 + 2723 WT0 1838 TIP3 OH2 OT -0.834000 15.9994 0 + 2724 WT0 1838 TIP3 H1 HT 0.417000 1.0080 0 + 2725 WT0 1838 TIP3 H2 HT 0.417000 1.0080 0 + 2726 WT0 1839 TIP3 OH2 OT -0.834000 15.9994 0 + 2727 WT0 1839 TIP3 H1 HT 0.417000 1.0080 0 + 2728 WT0 1839 TIP3 H2 HT 0.417000 1.0080 0 + 2729 WT0 1840 TIP3 OH2 OT -0.834000 15.9994 0 + 2730 WT0 1840 TIP3 H1 HT 0.417000 1.0080 0 + 2731 WT0 1840 TIP3 H2 HT 0.417000 1.0080 0 + 2732 WT0 1841 TIP3 OH2 OT -0.834000 15.9994 0 + 2733 WT0 1841 TIP3 H1 HT 0.417000 1.0080 0 + 2734 WT0 1841 TIP3 H2 HT 0.417000 1.0080 0 + 2735 WT0 1842 TIP3 OH2 OT -0.834000 15.9994 0 + 2736 WT0 1842 TIP3 H1 HT 0.417000 1.0080 0 + 2737 WT0 1842 TIP3 H2 HT 0.417000 1.0080 0 + 2738 WT0 1844 TIP3 OH2 OT -0.834000 15.9994 0 + 2739 WT0 1844 TIP3 H1 HT 0.417000 1.0080 0 + 2740 WT0 1844 TIP3 H2 HT 0.417000 1.0080 0 + 2741 WT0 1847 TIP3 OH2 OT -0.834000 15.9994 0 + 2742 WT0 1847 TIP3 H1 HT 0.417000 1.0080 0 + 2743 WT0 1847 TIP3 H2 HT 0.417000 1.0080 0 + 2744 WT0 1850 TIP3 OH2 OT -0.834000 15.9994 0 + 2745 WT0 1850 TIP3 H1 HT 0.417000 1.0080 0 + 2746 WT0 1850 TIP3 H2 HT 0.417000 1.0080 0 + 2747 WT0 1851 TIP3 OH2 OT -0.834000 15.9994 0 + 2748 WT0 1851 TIP3 H1 HT 0.417000 1.0080 0 + 2749 WT0 1851 TIP3 H2 HT 0.417000 1.0080 0 + 2750 WT0 1852 TIP3 OH2 OT -0.834000 15.9994 0 + 2751 WT0 1852 TIP3 H1 HT 0.417000 1.0080 0 + 2752 WT0 1852 TIP3 H2 HT 0.417000 1.0080 0 + 2753 WT0 1853 TIP3 OH2 OT -0.834000 15.9994 0 + 2754 WT0 1853 TIP3 H1 HT 0.417000 1.0080 0 + 2755 WT0 1853 TIP3 H2 HT 0.417000 1.0080 0 + 2756 WT0 1854 TIP3 OH2 OT -0.834000 15.9994 0 + 2757 WT0 1854 TIP3 H1 HT 0.417000 1.0080 0 + 2758 WT0 1854 TIP3 H2 HT 0.417000 1.0080 0 + 2759 WT0 1856 TIP3 OH2 OT -0.834000 15.9994 0 + 2760 WT0 1856 TIP3 H1 HT 0.417000 1.0080 0 + 2761 WT0 1856 TIP3 H2 HT 0.417000 1.0080 0 + 2762 WT0 1857 TIP3 OH2 OT -0.834000 15.9994 0 + 2763 WT0 1857 TIP3 H1 HT 0.417000 1.0080 0 + 2764 WT0 1857 TIP3 H2 HT 0.417000 1.0080 0 + 2765 WT0 1858 TIP3 OH2 OT -0.834000 15.9994 0 + 2766 WT0 1858 TIP3 H1 HT 0.417000 1.0080 0 + 2767 WT0 1858 TIP3 H2 HT 0.417000 1.0080 0 + 2768 WT0 1859 TIP3 OH2 OT -0.834000 15.9994 0 + 2769 WT0 1859 TIP3 H1 HT 0.417000 1.0080 0 + 2770 WT0 1859 TIP3 H2 HT 0.417000 1.0080 0 + 2771 WT0 1860 TIP3 OH2 OT -0.834000 15.9994 0 + 2772 WT0 1860 TIP3 H1 HT 0.417000 1.0080 0 + 2773 WT0 1860 TIP3 H2 HT 0.417000 1.0080 0 + 2774 WT0 1862 TIP3 OH2 OT -0.834000 15.9994 0 + 2775 WT0 1862 TIP3 H1 HT 0.417000 1.0080 0 + 2776 WT0 1862 TIP3 H2 HT 0.417000 1.0080 0 + 2777 WT0 1863 TIP3 OH2 OT -0.834000 15.9994 0 + 2778 WT0 1863 TIP3 H1 HT 0.417000 1.0080 0 + 2779 WT0 1863 TIP3 H2 HT 0.417000 1.0080 0 + 2780 WT0 1864 TIP3 OH2 OT -0.834000 15.9994 0 + 2781 WT0 1864 TIP3 H1 HT 0.417000 1.0080 0 + 2782 WT0 1864 TIP3 H2 HT 0.417000 1.0080 0 + 2783 WT0 1866 TIP3 OH2 OT -0.834000 15.9994 0 + 2784 WT0 1866 TIP3 H1 HT 0.417000 1.0080 0 + 2785 WT0 1866 TIP3 H2 HT 0.417000 1.0080 0 + 2786 WT0 1870 TIP3 OH2 OT -0.834000 15.9994 0 + 2787 WT0 1870 TIP3 H1 HT 0.417000 1.0080 0 + 2788 WT0 1870 TIP3 H2 HT 0.417000 1.0080 0 + 2789 WT0 1871 TIP3 OH2 OT -0.834000 15.9994 0 + 2790 WT0 1871 TIP3 H1 HT 0.417000 1.0080 0 + 2791 WT0 1871 TIP3 H2 HT 0.417000 1.0080 0 + 2792 WT0 1872 TIP3 OH2 OT -0.834000 15.9994 0 + 2793 WT0 1872 TIP3 H1 HT 0.417000 1.0080 0 + 2794 WT0 1872 TIP3 H2 HT 0.417000 1.0080 0 + 2795 WT0 1873 TIP3 OH2 OT -0.834000 15.9994 0 + 2796 WT0 1873 TIP3 H1 HT 0.417000 1.0080 0 + 2797 WT0 1873 TIP3 H2 HT 0.417000 1.0080 0 + 2798 WT0 1874 TIP3 OH2 OT -0.834000 15.9994 0 + 2799 WT0 1874 TIP3 H1 HT 0.417000 1.0080 0 + 2800 WT0 1874 TIP3 H2 HT 0.417000 1.0080 0 + 2801 WT0 1875 TIP3 OH2 OT -0.834000 15.9994 0 + 2802 WT0 1875 TIP3 H1 HT 0.417000 1.0080 0 + 2803 WT0 1875 TIP3 H2 HT 0.417000 1.0080 0 + 2804 WT0 1876 TIP3 OH2 OT -0.834000 15.9994 0 + 2805 WT0 1876 TIP3 H1 HT 0.417000 1.0080 0 + 2806 WT0 1876 TIP3 H2 HT 0.417000 1.0080 0 + 2807 WT0 1878 TIP3 OH2 OT -0.834000 15.9994 0 + 2808 WT0 1878 TIP3 H1 HT 0.417000 1.0080 0 + 2809 WT0 1878 TIP3 H2 HT 0.417000 1.0080 0 + 2810 WT0 1879 TIP3 OH2 OT -0.834000 15.9994 0 + 2811 WT0 1879 TIP3 H1 HT 0.417000 1.0080 0 + 2812 WT0 1879 TIP3 H2 HT 0.417000 1.0080 0 + 2813 WT0 1880 TIP3 OH2 OT -0.834000 15.9994 0 + 2814 WT0 1880 TIP3 H1 HT 0.417000 1.0080 0 + 2815 WT0 1880 TIP3 H2 HT 0.417000 1.0080 0 + 2816 WT0 1881 TIP3 OH2 OT -0.834000 15.9994 0 + 2817 WT0 1881 TIP3 H1 HT 0.417000 1.0080 0 + 2818 WT0 1881 TIP3 H2 HT 0.417000 1.0080 0 + 2819 WT0 1882 TIP3 OH2 OT -0.834000 15.9994 0 + 2820 WT0 1882 TIP3 H1 HT 0.417000 1.0080 0 + 2821 WT0 1882 TIP3 H2 HT 0.417000 1.0080 0 + 2822 WT0 1883 TIP3 OH2 OT -0.834000 15.9994 0 + 2823 WT0 1883 TIP3 H1 HT 0.417000 1.0080 0 + 2824 WT0 1883 TIP3 H2 HT 0.417000 1.0080 0 + 2825 WT0 1885 TIP3 OH2 OT -0.834000 15.9994 0 + 2826 WT0 1885 TIP3 H1 HT 0.417000 1.0080 0 + 2827 WT0 1885 TIP3 H2 HT 0.417000 1.0080 0 + 2828 WT0 1888 TIP3 OH2 OT -0.834000 15.9994 0 + 2829 WT0 1888 TIP3 H1 HT 0.417000 1.0080 0 + 2830 WT0 1888 TIP3 H2 HT 0.417000 1.0080 0 + 2831 WT0 1891 TIP3 OH2 OT -0.834000 15.9994 0 + 2832 WT0 1891 TIP3 H1 HT 0.417000 1.0080 0 + 2833 WT0 1891 TIP3 H2 HT 0.417000 1.0080 0 + 2834 WT0 1892 TIP3 OH2 OT -0.834000 15.9994 0 + 2835 WT0 1892 TIP3 H1 HT 0.417000 1.0080 0 + 2836 WT0 1892 TIP3 H2 HT 0.417000 1.0080 0 + 2837 WT0 1894 TIP3 OH2 OT -0.834000 15.9994 0 + 2838 WT0 1894 TIP3 H1 HT 0.417000 1.0080 0 + 2839 WT0 1894 TIP3 H2 HT 0.417000 1.0080 0 + 2840 WT0 1896 TIP3 OH2 OT -0.834000 15.9994 0 + 2841 WT0 1896 TIP3 H1 HT 0.417000 1.0080 0 + 2842 WT0 1896 TIP3 H2 HT 0.417000 1.0080 0 + 2843 WT0 1897 TIP3 OH2 OT -0.834000 15.9994 0 + 2844 WT0 1897 TIP3 H1 HT 0.417000 1.0080 0 + 2845 WT0 1897 TIP3 H2 HT 0.417000 1.0080 0 + 2846 WT0 1898 TIP3 OH2 OT -0.834000 15.9994 0 + 2847 WT0 1898 TIP3 H1 HT 0.417000 1.0080 0 + 2848 WT0 1898 TIP3 H2 HT 0.417000 1.0080 0 + 2849 WT0 1899 TIP3 OH2 OT -0.834000 15.9994 0 + 2850 WT0 1899 TIP3 H1 HT 0.417000 1.0080 0 + 2851 WT0 1899 TIP3 H2 HT 0.417000 1.0080 0 + 2852 WT0 1900 TIP3 OH2 OT -0.834000 15.9994 0 + 2853 WT0 1900 TIP3 H1 HT 0.417000 1.0080 0 + 2854 WT0 1900 TIP3 H2 HT 0.417000 1.0080 0 + 2855 WT0 1901 TIP3 OH2 OT -0.834000 15.9994 0 + 2856 WT0 1901 TIP3 H1 HT 0.417000 1.0080 0 + 2857 WT0 1901 TIP3 H2 HT 0.417000 1.0080 0 + 2858 WT0 1902 TIP3 OH2 OT -0.834000 15.9994 0 + 2859 WT0 1902 TIP3 H1 HT 0.417000 1.0080 0 + 2860 WT0 1902 TIP3 H2 HT 0.417000 1.0080 0 + 2861 WT0 1904 TIP3 OH2 OT -0.834000 15.9994 0 + 2862 WT0 1904 TIP3 H1 HT 0.417000 1.0080 0 + 2863 WT0 1904 TIP3 H2 HT 0.417000 1.0080 0 + 2864 WT0 1906 TIP3 OH2 OT -0.834000 15.9994 0 + 2865 WT0 1906 TIP3 H1 HT 0.417000 1.0080 0 + 2866 WT0 1906 TIP3 H2 HT 0.417000 1.0080 0 + 2867 WT0 1907 TIP3 OH2 OT -0.834000 15.9994 0 + 2868 WT0 1907 TIP3 H1 HT 0.417000 1.0080 0 + 2869 WT0 1907 TIP3 H2 HT 0.417000 1.0080 0 + 2870 WT0 1909 TIP3 OH2 OT -0.834000 15.9994 0 + 2871 WT0 1909 TIP3 H1 HT 0.417000 1.0080 0 + 2872 WT0 1909 TIP3 H2 HT 0.417000 1.0080 0 + 2873 WT0 1911 TIP3 OH2 OT -0.834000 15.9994 0 + 2874 WT0 1911 TIP3 H1 HT 0.417000 1.0080 0 + 2875 WT0 1911 TIP3 H2 HT 0.417000 1.0080 0 + 2876 WT0 1912 TIP3 OH2 OT -0.834000 15.9994 0 + 2877 WT0 1912 TIP3 H1 HT 0.417000 1.0080 0 + 2878 WT0 1912 TIP3 H2 HT 0.417000 1.0080 0 + 2879 WT0 1913 TIP3 OH2 OT -0.834000 15.9994 0 + 2880 WT0 1913 TIP3 H1 HT 0.417000 1.0080 0 + 2881 WT0 1913 TIP3 H2 HT 0.417000 1.0080 0 + 2882 WT0 1914 TIP3 OH2 OT -0.834000 15.9994 0 + 2883 WT0 1914 TIP3 H1 HT 0.417000 1.0080 0 + 2884 WT0 1914 TIP3 H2 HT 0.417000 1.0080 0 + 2885 WT0 1915 TIP3 OH2 OT -0.834000 15.9994 0 + 2886 WT0 1915 TIP3 H1 HT 0.417000 1.0080 0 + 2887 WT0 1915 TIP3 H2 HT 0.417000 1.0080 0 + 2888 WT0 1916 TIP3 OH2 OT -0.834000 15.9994 0 + 2889 WT0 1916 TIP3 H1 HT 0.417000 1.0080 0 + 2890 WT0 1916 TIP3 H2 HT 0.417000 1.0080 0 + 2891 WT0 1918 TIP3 OH2 OT -0.834000 15.9994 0 + 2892 WT0 1918 TIP3 H1 HT 0.417000 1.0080 0 + 2893 WT0 1918 TIP3 H2 HT 0.417000 1.0080 0 + 2894 WT0 1920 TIP3 OH2 OT -0.834000 15.9994 0 + 2895 WT0 1920 TIP3 H1 HT 0.417000 1.0080 0 + 2896 WT0 1920 TIP3 H2 HT 0.417000 1.0080 0 + 2897 WT0 1921 TIP3 OH2 OT -0.834000 15.9994 0 + 2898 WT0 1921 TIP3 H1 HT 0.417000 1.0080 0 + 2899 WT0 1921 TIP3 H2 HT 0.417000 1.0080 0 + 2900 WT0 1922 TIP3 OH2 OT -0.834000 15.9994 0 + 2901 WT0 1922 TIP3 H1 HT 0.417000 1.0080 0 + 2902 WT0 1922 TIP3 H2 HT 0.417000 1.0080 0 + 2903 WT0 1923 TIP3 OH2 OT -0.834000 15.9994 0 + 2904 WT0 1923 TIP3 H1 HT 0.417000 1.0080 0 + 2905 WT0 1923 TIP3 H2 HT 0.417000 1.0080 0 + 2906 WT0 1924 TIP3 OH2 OT -0.834000 15.9994 0 + 2907 WT0 1924 TIP3 H1 HT 0.417000 1.0080 0 + 2908 WT0 1924 TIP3 H2 HT 0.417000 1.0080 0 + 2909 WT0 1925 TIP3 OH2 OT -0.834000 15.9994 0 + 2910 WT0 1925 TIP3 H1 HT 0.417000 1.0080 0 + 2911 WT0 1925 TIP3 H2 HT 0.417000 1.0080 0 + 2912 WT0 1926 TIP3 OH2 OT -0.834000 15.9994 0 + 2913 WT0 1926 TIP3 H1 HT 0.417000 1.0080 0 + 2914 WT0 1926 TIP3 H2 HT 0.417000 1.0080 0 + 2915 WT0 1934 TIP3 OH2 OT -0.834000 15.9994 0 + 2916 WT0 1934 TIP3 H1 HT 0.417000 1.0080 0 + 2917 WT0 1934 TIP3 H2 HT 0.417000 1.0080 0 + 2918 WT0 1935 TIP3 OH2 OT -0.834000 15.9994 0 + 2919 WT0 1935 TIP3 H1 HT 0.417000 1.0080 0 + 2920 WT0 1935 TIP3 H2 HT 0.417000 1.0080 0 + 2921 WT0 1936 TIP3 OH2 OT -0.834000 15.9994 0 + 2922 WT0 1936 TIP3 H1 HT 0.417000 1.0080 0 + 2923 WT0 1936 TIP3 H2 HT 0.417000 1.0080 0 + 2924 WT0 1937 TIP3 OH2 OT -0.834000 15.9994 0 + 2925 WT0 1937 TIP3 H1 HT 0.417000 1.0080 0 + 2926 WT0 1937 TIP3 H2 HT 0.417000 1.0080 0 + 2927 WT0 1938 TIP3 OH2 OT -0.834000 15.9994 0 + 2928 WT0 1938 TIP3 H1 HT 0.417000 1.0080 0 + 2929 WT0 1938 TIP3 H2 HT 0.417000 1.0080 0 + 2930 WT0 1939 TIP3 OH2 OT -0.834000 15.9994 0 + 2931 WT0 1939 TIP3 H1 HT 0.417000 1.0080 0 + 2932 WT0 1939 TIP3 H2 HT 0.417000 1.0080 0 + 2933 WT0 1940 TIP3 OH2 OT -0.834000 15.9994 0 + 2934 WT0 1940 TIP3 H1 HT 0.417000 1.0080 0 + 2935 WT0 1940 TIP3 H2 HT 0.417000 1.0080 0 + 2936 WT0 1942 TIP3 OH2 OT -0.834000 15.9994 0 + 2937 WT0 1942 TIP3 H1 HT 0.417000 1.0080 0 + 2938 WT0 1942 TIP3 H2 HT 0.417000 1.0080 0 + 2939 WT0 1944 TIP3 OH2 OT -0.834000 15.9994 0 + 2940 WT0 1944 TIP3 H1 HT 0.417000 1.0080 0 + 2941 WT0 1944 TIP3 H2 HT 0.417000 1.0080 0 + 2942 WT0 1945 TIP3 OH2 OT -0.834000 15.9994 0 + 2943 WT0 1945 TIP3 H1 HT 0.417000 1.0080 0 + 2944 WT0 1945 TIP3 H2 HT 0.417000 1.0080 0 + 2945 WT0 1946 TIP3 OH2 OT -0.834000 15.9994 0 + 2946 WT0 1946 TIP3 H1 HT 0.417000 1.0080 0 + 2947 WT0 1946 TIP3 H2 HT 0.417000 1.0080 0 + 2948 WT0 1947 TIP3 OH2 OT -0.834000 15.9994 0 + 2949 WT0 1947 TIP3 H1 HT 0.417000 1.0080 0 + 2950 WT0 1947 TIP3 H2 HT 0.417000 1.0080 0 + 2951 WT0 1948 TIP3 OH2 OT -0.834000 15.9994 0 + 2952 WT0 1948 TIP3 H1 HT 0.417000 1.0080 0 + 2953 WT0 1948 TIP3 H2 HT 0.417000 1.0080 0 + 2954 WT0 1949 TIP3 OH2 OT -0.834000 15.9994 0 + 2955 WT0 1949 TIP3 H1 HT 0.417000 1.0080 0 + 2956 WT0 1949 TIP3 H2 HT 0.417000 1.0080 0 + 2957 WT0 1950 TIP3 OH2 OT -0.834000 15.9994 0 + 2958 WT0 1950 TIP3 H1 HT 0.417000 1.0080 0 + 2959 WT0 1950 TIP3 H2 HT 0.417000 1.0080 0 + 2960 WT0 1952 TIP3 OH2 OT -0.834000 15.9994 0 + 2961 WT0 1952 TIP3 H1 HT 0.417000 1.0080 0 + 2962 WT0 1952 TIP3 H2 HT 0.417000 1.0080 0 + 2963 WT0 1953 TIP3 OH2 OT -0.834000 15.9994 0 + 2964 WT0 1953 TIP3 H1 HT 0.417000 1.0080 0 + 2965 WT0 1953 TIP3 H2 HT 0.417000 1.0080 0 + 2966 WT0 1954 TIP3 OH2 OT -0.834000 15.9994 0 + 2967 WT0 1954 TIP3 H1 HT 0.417000 1.0080 0 + 2968 WT0 1954 TIP3 H2 HT 0.417000 1.0080 0 + 2969 WT0 1955 TIP3 OH2 OT -0.834000 15.9994 0 + 2970 WT0 1955 TIP3 H1 HT 0.417000 1.0080 0 + 2971 WT0 1955 TIP3 H2 HT 0.417000 1.0080 0 + 2972 WT0 1960 TIP3 OH2 OT -0.834000 15.9994 0 + 2973 WT0 1960 TIP3 H1 HT 0.417000 1.0080 0 + 2974 WT0 1960 TIP3 H2 HT 0.417000 1.0080 0 + 2975 WT0 1963 TIP3 OH2 OT -0.834000 15.9994 0 + 2976 WT0 1963 TIP3 H1 HT 0.417000 1.0080 0 + 2977 WT0 1963 TIP3 H2 HT 0.417000 1.0080 0 + 2978 WT0 1964 TIP3 OH2 OT -0.834000 15.9994 0 + 2979 WT0 1964 TIP3 H1 HT 0.417000 1.0080 0 + 2980 WT0 1964 TIP3 H2 HT 0.417000 1.0080 0 + 2981 WT0 1965 TIP3 OH2 OT -0.834000 15.9994 0 + 2982 WT0 1965 TIP3 H1 HT 0.417000 1.0080 0 + 2983 WT0 1965 TIP3 H2 HT 0.417000 1.0080 0 + 2984 WT0 1966 TIP3 OH2 OT -0.834000 15.9994 0 + 2985 WT0 1966 TIP3 H1 HT 0.417000 1.0080 0 + 2986 WT0 1966 TIP3 H2 HT 0.417000 1.0080 0 + 2987 WT0 1967 TIP3 OH2 OT -0.834000 15.9994 0 + 2988 WT0 1967 TIP3 H1 HT 0.417000 1.0080 0 + 2989 WT0 1967 TIP3 H2 HT 0.417000 1.0080 0 + 2990 WT0 1968 TIP3 OH2 OT -0.834000 15.9994 0 + 2991 WT0 1968 TIP3 H1 HT 0.417000 1.0080 0 + 2992 WT0 1968 TIP3 H2 HT 0.417000 1.0080 0 + 2993 WT0 1969 TIP3 OH2 OT -0.834000 15.9994 0 + 2994 WT0 1969 TIP3 H1 HT 0.417000 1.0080 0 + 2995 WT0 1969 TIP3 H2 HT 0.417000 1.0080 0 + 2996 WT0 1970 TIP3 OH2 OT -0.834000 15.9994 0 + 2997 WT0 1970 TIP3 H1 HT 0.417000 1.0080 0 + 2998 WT0 1970 TIP3 H2 HT 0.417000 1.0080 0 + 2999 WT0 1976 TIP3 OH2 OT -0.834000 15.9994 0 + 3000 WT0 1976 TIP3 H1 HT 0.417000 1.0080 0 + 3001 WT0 1976 TIP3 H2 HT 0.417000 1.0080 0 + 3002 WT0 1977 TIP3 OH2 OT -0.834000 15.9994 0 + 3003 WT0 1977 TIP3 H1 HT 0.417000 1.0080 0 + 3004 WT0 1977 TIP3 H2 HT 0.417000 1.0080 0 + 3005 WT0 1978 TIP3 OH2 OT -0.834000 15.9994 0 + 3006 WT0 1978 TIP3 H1 HT 0.417000 1.0080 0 + 3007 WT0 1978 TIP3 H2 HT 0.417000 1.0080 0 + 3008 WT0 1979 TIP3 OH2 OT -0.834000 15.9994 0 + 3009 WT0 1979 TIP3 H1 HT 0.417000 1.0080 0 + 3010 WT0 1979 TIP3 H2 HT 0.417000 1.0080 0 + 3011 WT0 1980 TIP3 OH2 OT -0.834000 15.9994 0 + 3012 WT0 1980 TIP3 H1 HT 0.417000 1.0080 0 + 3013 WT0 1980 TIP3 H2 HT 0.417000 1.0080 0 + 3014 WT0 1981 TIP3 OH2 OT -0.834000 15.9994 0 + 3015 WT0 1981 TIP3 H1 HT 0.417000 1.0080 0 + 3016 WT0 1981 TIP3 H2 HT 0.417000 1.0080 0 + 3017 WT0 1984 TIP3 OH2 OT -0.834000 15.9994 0 + 3018 WT0 1984 TIP3 H1 HT 0.417000 1.0080 0 + 3019 WT0 1984 TIP3 H2 HT 0.417000 1.0080 0 + 3020 WT0 1985 TIP3 OH2 OT -0.834000 15.9994 0 + 3021 WT0 1985 TIP3 H1 HT 0.417000 1.0080 0 + 3022 WT0 1985 TIP3 H2 HT 0.417000 1.0080 0 + 3023 WT0 1986 TIP3 OH2 OT -0.834000 15.9994 0 + 3024 WT0 1986 TIP3 H1 HT 0.417000 1.0080 0 + 3025 WT0 1986 TIP3 H2 HT 0.417000 1.0080 0 + 3026 WT0 1987 TIP3 OH2 OT -0.834000 15.9994 0 + 3027 WT0 1987 TIP3 H1 HT 0.417000 1.0080 0 + 3028 WT0 1987 TIP3 H2 HT 0.417000 1.0080 0 + 3029 WT0 1989 TIP3 OH2 OT -0.834000 15.9994 0 + 3030 WT0 1989 TIP3 H1 HT 0.417000 1.0080 0 + 3031 WT0 1989 TIP3 H2 HT 0.417000 1.0080 0 + 3032 WT0 1993 TIP3 OH2 OT -0.834000 15.9994 0 + 3033 WT0 1993 TIP3 H1 HT 0.417000 1.0080 0 + 3034 WT0 1993 TIP3 H2 HT 0.417000 1.0080 0 + 3035 WT0 1994 TIP3 OH2 OT -0.834000 15.9994 0 + 3036 WT0 1994 TIP3 H1 HT 0.417000 1.0080 0 + 3037 WT0 1994 TIP3 H2 HT 0.417000 1.0080 0 + 3038 WT0 1998 TIP3 OH2 OT -0.834000 15.9994 0 + 3039 WT0 1998 TIP3 H1 HT 0.417000 1.0080 0 + 3040 WT0 1998 TIP3 H2 HT 0.417000 1.0080 0 + 3041 WT0 1999 TIP3 OH2 OT -0.834000 15.9994 0 + 3042 WT0 1999 TIP3 H1 HT 0.417000 1.0080 0 + 3043 WT0 1999 TIP3 H2 HT 0.417000 1.0080 0 + 3044 WT0 2000 TIP3 OH2 OT -0.834000 15.9994 0 + 3045 WT0 2000 TIP3 H1 HT 0.417000 1.0080 0 + 3046 WT0 2000 TIP3 H2 HT 0.417000 1.0080 0 + 3047 WT0 2001 TIP3 OH2 OT -0.834000 15.9994 0 + 3048 WT0 2001 TIP3 H1 HT 0.417000 1.0080 0 + 3049 WT0 2001 TIP3 H2 HT 0.417000 1.0080 0 + 3050 WT0 2002 TIP3 OH2 OT -0.834000 15.9994 0 + 3051 WT0 2002 TIP3 H1 HT 0.417000 1.0080 0 + 3052 WT0 2002 TIP3 H2 HT 0.417000 1.0080 0 + 3053 WT0 2003 TIP3 OH2 OT -0.834000 15.9994 0 + 3054 WT0 2003 TIP3 H1 HT 0.417000 1.0080 0 + 3055 WT0 2003 TIP3 H2 HT 0.417000 1.0080 0 + 3056 WT0 2004 TIP3 OH2 OT -0.834000 15.9994 0 + 3057 WT0 2004 TIP3 H1 HT 0.417000 1.0080 0 + 3058 WT0 2004 TIP3 H2 HT 0.417000 1.0080 0 + 3059 WT0 2005 TIP3 OH2 OT -0.834000 15.9994 0 + 3060 WT0 2005 TIP3 H1 HT 0.417000 1.0080 0 + 3061 WT0 2005 TIP3 H2 HT 0.417000 1.0080 0 + 3062 WT0 2007 TIP3 OH2 OT -0.834000 15.9994 0 + 3063 WT0 2007 TIP3 H1 HT 0.417000 1.0080 0 + 3064 WT0 2007 TIP3 H2 HT 0.417000 1.0080 0 + 3065 WT0 2009 TIP3 OH2 OT -0.834000 15.9994 0 + 3066 WT0 2009 TIP3 H1 HT 0.417000 1.0080 0 + 3067 WT0 2009 TIP3 H2 HT 0.417000 1.0080 0 + 3068 WT0 2011 TIP3 OH2 OT -0.834000 15.9994 0 + 3069 WT0 2011 TIP3 H1 HT 0.417000 1.0080 0 + 3070 WT0 2011 TIP3 H2 HT 0.417000 1.0080 0 + 3071 WT0 2014 TIP3 OH2 OT -0.834000 15.9994 0 + 3072 WT0 2014 TIP3 H1 HT 0.417000 1.0080 0 + 3073 WT0 2014 TIP3 H2 HT 0.417000 1.0080 0 + 3074 WT0 2016 TIP3 OH2 OT -0.834000 15.9994 0 + 3075 WT0 2016 TIP3 H1 HT 0.417000 1.0080 0 + 3076 WT0 2016 TIP3 H2 HT 0.417000 1.0080 0 + 3077 WT0 2018 TIP3 OH2 OT -0.834000 15.9994 0 + 3078 WT0 2018 TIP3 H1 HT 0.417000 1.0080 0 + 3079 WT0 2018 TIP3 H2 HT 0.417000 1.0080 0 + 3080 WT0 2019 TIP3 OH2 OT -0.834000 15.9994 0 + 3081 WT0 2019 TIP3 H1 HT 0.417000 1.0080 0 + 3082 WT0 2019 TIP3 H2 HT 0.417000 1.0080 0 + 3083 WT0 2021 TIP3 OH2 OT -0.834000 15.9994 0 + 3084 WT0 2021 TIP3 H1 HT 0.417000 1.0080 0 + 3085 WT0 2021 TIP3 H2 HT 0.417000 1.0080 0 + 3086 WT0 2022 TIP3 OH2 OT -0.834000 15.9994 0 + 3087 WT0 2022 TIP3 H1 HT 0.417000 1.0080 0 + 3088 WT0 2022 TIP3 H2 HT 0.417000 1.0080 0 + 3089 WT0 2024 TIP3 OH2 OT -0.834000 15.9994 0 + 3090 WT0 2024 TIP3 H1 HT 0.417000 1.0080 0 + 3091 WT0 2024 TIP3 H2 HT 0.417000 1.0080 0 + 3092 WT0 2025 TIP3 OH2 OT -0.834000 15.9994 0 + 3093 WT0 2025 TIP3 H1 HT 0.417000 1.0080 0 + 3094 WT0 2025 TIP3 H2 HT 0.417000 1.0080 0 + 3095 WT0 2026 TIP3 OH2 OT -0.834000 15.9994 0 + 3096 WT0 2026 TIP3 H1 HT 0.417000 1.0080 0 + 3097 WT0 2026 TIP3 H2 HT 0.417000 1.0080 0 + 3098 WT0 2027 TIP3 OH2 OT -0.834000 15.9994 0 + 3099 WT0 2027 TIP3 H1 HT 0.417000 1.0080 0 + 3100 WT0 2027 TIP3 H2 HT 0.417000 1.0080 0 + 3101 WT0 2029 TIP3 OH2 OT -0.834000 15.9994 0 + 3102 WT0 2029 TIP3 H1 HT 0.417000 1.0080 0 + 3103 WT0 2029 TIP3 H2 HT 0.417000 1.0080 0 + 3104 WT0 2031 TIP3 OH2 OT -0.834000 15.9994 0 + 3105 WT0 2031 TIP3 H1 HT 0.417000 1.0080 0 + 3106 WT0 2031 TIP3 H2 HT 0.417000 1.0080 0 + 3107 WT0 2033 TIP3 OH2 OT -0.834000 15.9994 0 + 3108 WT0 2033 TIP3 H1 HT 0.417000 1.0080 0 + 3109 WT0 2033 TIP3 H2 HT 0.417000 1.0080 0 + 3110 WT0 2037 TIP3 OH2 OT -0.834000 15.9994 0 + 3111 WT0 2037 TIP3 H1 HT 0.417000 1.0080 0 + 3112 WT0 2037 TIP3 H2 HT 0.417000 1.0080 0 + 3113 WT0 2038 TIP3 OH2 OT -0.834000 15.9994 0 + 3114 WT0 2038 TIP3 H1 HT 0.417000 1.0080 0 + 3115 WT0 2038 TIP3 H2 HT 0.417000 1.0080 0 + 3116 WT0 2039 TIP3 OH2 OT -0.834000 15.9994 0 + 3117 WT0 2039 TIP3 H1 HT 0.417000 1.0080 0 + 3118 WT0 2039 TIP3 H2 HT 0.417000 1.0080 0 + 3119 WT0 2040 TIP3 OH2 OT -0.834000 15.9994 0 + 3120 WT0 2040 TIP3 H1 HT 0.417000 1.0080 0 + 3121 WT0 2040 TIP3 H2 HT 0.417000 1.0080 0 + 3122 WT0 2041 TIP3 OH2 OT -0.834000 15.9994 0 + 3123 WT0 2041 TIP3 H1 HT 0.417000 1.0080 0 + 3124 WT0 2041 TIP3 H2 HT 0.417000 1.0080 0 + 3125 WT0 2043 TIP3 OH2 OT -0.834000 15.9994 0 + 3126 WT0 2043 TIP3 H1 HT 0.417000 1.0080 0 + 3127 WT0 2043 TIP3 H2 HT 0.417000 1.0080 0 + 3128 WT0 2044 TIP3 OH2 OT -0.834000 15.9994 0 + 3129 WT0 2044 TIP3 H1 HT 0.417000 1.0080 0 + 3130 WT0 2044 TIP3 H2 HT 0.417000 1.0080 0 + 3131 WT0 2045 TIP3 OH2 OT -0.834000 15.9994 0 + 3132 WT0 2045 TIP3 H1 HT 0.417000 1.0080 0 + 3133 WT0 2045 TIP3 H2 HT 0.417000 1.0080 0 + 3134 WT0 2047 TIP3 OH2 OT -0.834000 15.9994 0 + 3135 WT0 2047 TIP3 H1 HT 0.417000 1.0080 0 + 3136 WT0 2047 TIP3 H2 HT 0.417000 1.0080 0 + 3137 WT0 2048 TIP3 OH2 OT -0.834000 15.9994 0 + 3138 WT0 2048 TIP3 H1 HT 0.417000 1.0080 0 + 3139 WT0 2048 TIP3 H2 HT 0.417000 1.0080 0 + 3140 WT0 2049 TIP3 OH2 OT -0.834000 15.9994 0 + 3141 WT0 2049 TIP3 H1 HT 0.417000 1.0080 0 + 3142 WT0 2049 TIP3 H2 HT 0.417000 1.0080 0 + 3143 WT0 2050 TIP3 OH2 OT -0.834000 15.9994 0 + 3144 WT0 2050 TIP3 H1 HT 0.417000 1.0080 0 + 3145 WT0 2050 TIP3 H2 HT 0.417000 1.0080 0 + 3146 WT0 2052 TIP3 OH2 OT -0.834000 15.9994 0 + 3147 WT0 2052 TIP3 H1 HT 0.417000 1.0080 0 + 3148 WT0 2052 TIP3 H2 HT 0.417000 1.0080 0 + 3149 WT0 2053 TIP3 OH2 OT -0.834000 15.9994 0 + 3150 WT0 2053 TIP3 H1 HT 0.417000 1.0080 0 + 3151 WT0 2053 TIP3 H2 HT 0.417000 1.0080 0 + 3152 WT0 2054 TIP3 OH2 OT -0.834000 15.9994 0 + 3153 WT0 2054 TIP3 H1 HT 0.417000 1.0080 0 + 3154 WT0 2054 TIP3 H2 HT 0.417000 1.0080 0 + 3155 WT0 2056 TIP3 OH2 OT -0.834000 15.9994 0 + 3156 WT0 2056 TIP3 H1 HT 0.417000 1.0080 0 + 3157 WT0 2056 TIP3 H2 HT 0.417000 1.0080 0 + 3158 WT0 2060 TIP3 OH2 OT -0.834000 15.9994 0 + 3159 WT0 2060 TIP3 H1 HT 0.417000 1.0080 0 + 3160 WT0 2060 TIP3 H2 HT 0.417000 1.0080 0 + 3161 WT0 2061 TIP3 OH2 OT -0.834000 15.9994 0 + 3162 WT0 2061 TIP3 H1 HT 0.417000 1.0080 0 + 3163 WT0 2061 TIP3 H2 HT 0.417000 1.0080 0 + 3164 WT0 2062 TIP3 OH2 OT -0.834000 15.9994 0 + 3165 WT0 2062 TIP3 H1 HT 0.417000 1.0080 0 + 3166 WT0 2062 TIP3 H2 HT 0.417000 1.0080 0 + 3167 WT0 2063 TIP3 OH2 OT -0.834000 15.9994 0 + 3168 WT0 2063 TIP3 H1 HT 0.417000 1.0080 0 + 3169 WT0 2063 TIP3 H2 HT 0.417000 1.0080 0 + 3170 WT0 2065 TIP3 OH2 OT -0.834000 15.9994 0 + 3171 WT0 2065 TIP3 H1 HT 0.417000 1.0080 0 + 3172 WT0 2065 TIP3 H2 HT 0.417000 1.0080 0 + 3173 WT0 2068 TIP3 OH2 OT -0.834000 15.9994 0 + 3174 WT0 2068 TIP3 H1 HT 0.417000 1.0080 0 + 3175 WT0 2068 TIP3 H2 HT 0.417000 1.0080 0 + 3176 WT0 2069 TIP3 OH2 OT -0.834000 15.9994 0 + 3177 WT0 2069 TIP3 H1 HT 0.417000 1.0080 0 + 3178 WT0 2069 TIP3 H2 HT 0.417000 1.0080 0 + 3179 WT0 2070 TIP3 OH2 OT -0.834000 15.9994 0 + 3180 WT0 2070 TIP3 H1 HT 0.417000 1.0080 0 + 3181 WT0 2070 TIP3 H2 HT 0.417000 1.0080 0 + 3182 WT0 2073 TIP3 OH2 OT -0.834000 15.9994 0 + 3183 WT0 2073 TIP3 H1 HT 0.417000 1.0080 0 + 3184 WT0 2073 TIP3 H2 HT 0.417000 1.0080 0 + 3185 WT0 2075 TIP3 OH2 OT -0.834000 15.9994 0 + 3186 WT0 2075 TIP3 H1 HT 0.417000 1.0080 0 + 3187 WT0 2075 TIP3 H2 HT 0.417000 1.0080 0 + 3188 WT0 2079 TIP3 OH2 OT -0.834000 15.9994 0 + 3189 WT0 2079 TIP3 H1 HT 0.417000 1.0080 0 + 3190 WT0 2079 TIP3 H2 HT 0.417000 1.0080 0 + 3191 WT0 2081 TIP3 OH2 OT -0.834000 15.9994 0 + 3192 WT0 2081 TIP3 H1 HT 0.417000 1.0080 0 + 3193 WT0 2081 TIP3 H2 HT 0.417000 1.0080 0 + 3194 WT0 2082 TIP3 OH2 OT -0.834000 15.9994 0 + 3195 WT0 2082 TIP3 H1 HT 0.417000 1.0080 0 + 3196 WT0 2082 TIP3 H2 HT 0.417000 1.0080 0 + 3197 WT0 2083 TIP3 OH2 OT -0.834000 15.9994 0 + 3198 WT0 2083 TIP3 H1 HT 0.417000 1.0080 0 + 3199 WT0 2083 TIP3 H2 HT 0.417000 1.0080 0 + 3200 WT0 2084 TIP3 OH2 OT -0.834000 15.9994 0 + 3201 WT0 2084 TIP3 H1 HT 0.417000 1.0080 0 + 3202 WT0 2084 TIP3 H2 HT 0.417000 1.0080 0 + 3203 WT0 2086 TIP3 OH2 OT -0.834000 15.9994 0 + 3204 WT0 2086 TIP3 H1 HT 0.417000 1.0080 0 + 3205 WT0 2086 TIP3 H2 HT 0.417000 1.0080 0 + 3206 WT0 2089 TIP3 OH2 OT -0.834000 15.9994 0 + 3207 WT0 2089 TIP3 H1 HT 0.417000 1.0080 0 + 3208 WT0 2089 TIP3 H2 HT 0.417000 1.0080 0 + 3209 WT0 2090 TIP3 OH2 OT -0.834000 15.9994 0 + 3210 WT0 2090 TIP3 H1 HT 0.417000 1.0080 0 + 3211 WT0 2090 TIP3 H2 HT 0.417000 1.0080 0 + 3212 WT0 2091 TIP3 OH2 OT -0.834000 15.9994 0 + 3213 WT0 2091 TIP3 H1 HT 0.417000 1.0080 0 + 3214 WT0 2091 TIP3 H2 HT 0.417000 1.0080 0 + 3215 WT0 2092 TIP3 OH2 OT -0.834000 15.9994 0 + 3216 WT0 2092 TIP3 H1 HT 0.417000 1.0080 0 + 3217 WT0 2092 TIP3 H2 HT 0.417000 1.0080 0 + 3218 WT0 2095 TIP3 OH2 OT -0.834000 15.9994 0 + 3219 WT0 2095 TIP3 H1 HT 0.417000 1.0080 0 + 3220 WT0 2095 TIP3 H2 HT 0.417000 1.0080 0 + 3221 WT0 2098 TIP3 OH2 OT -0.834000 15.9994 0 + 3222 WT0 2098 TIP3 H1 HT 0.417000 1.0080 0 + 3223 WT0 2098 TIP3 H2 HT 0.417000 1.0080 0 + 3224 WT0 2099 TIP3 OH2 OT -0.834000 15.9994 0 + 3225 WT0 2099 TIP3 H1 HT 0.417000 1.0080 0 + 3226 WT0 2099 TIP3 H2 HT 0.417000 1.0080 0 + 3227 WT0 2103 TIP3 OH2 OT -0.834000 15.9994 0 + 3228 WT0 2103 TIP3 H1 HT 0.417000 1.0080 0 + 3229 WT0 2103 TIP3 H2 HT 0.417000 1.0080 0 + 3230 WT0 2105 TIP3 OH2 OT -0.834000 15.9994 0 + 3231 WT0 2105 TIP3 H1 HT 0.417000 1.0080 0 + 3232 WT0 2105 TIP3 H2 HT 0.417000 1.0080 0 + 3233 WT0 2106 TIP3 OH2 OT -0.834000 15.9994 0 + 3234 WT0 2106 TIP3 H1 HT 0.417000 1.0080 0 + 3235 WT0 2106 TIP3 H2 HT 0.417000 1.0080 0 + 3236 WT0 2107 TIP3 OH2 OT -0.834000 15.9994 0 + 3237 WT0 2107 TIP3 H1 HT 0.417000 1.0080 0 + 3238 WT0 2107 TIP3 H2 HT 0.417000 1.0080 0 + 3239 WT0 2109 TIP3 OH2 OT -0.834000 15.9994 0 + 3240 WT0 2109 TIP3 H1 HT 0.417000 1.0080 0 + 3241 WT0 2109 TIP3 H2 HT 0.417000 1.0080 0 + 3242 WT0 2110 TIP3 OH2 OT -0.834000 15.9994 0 + 3243 WT0 2110 TIP3 H1 HT 0.417000 1.0080 0 + 3244 WT0 2110 TIP3 H2 HT 0.417000 1.0080 0 + 3245 WT0 2113 TIP3 OH2 OT -0.834000 15.9994 0 + 3246 WT0 2113 TIP3 H1 HT 0.417000 1.0080 0 + 3247 WT0 2113 TIP3 H2 HT 0.417000 1.0080 0 + 3248 WT0 2114 TIP3 OH2 OT -0.834000 15.9994 0 + 3249 WT0 2114 TIP3 H1 HT 0.417000 1.0080 0 + 3250 WT0 2114 TIP3 H2 HT 0.417000 1.0080 0 + 3251 WT0 2115 TIP3 OH2 OT -0.834000 15.9994 0 + 3252 WT0 2115 TIP3 H1 HT 0.417000 1.0080 0 + 3253 WT0 2115 TIP3 H2 HT 0.417000 1.0080 0 + 3254 WT0 2116 TIP3 OH2 OT -0.834000 15.9994 0 + 3255 WT0 2116 TIP3 H1 HT 0.417000 1.0080 0 + 3256 WT0 2116 TIP3 H2 HT 0.417000 1.0080 0 + 3257 WT0 2117 TIP3 OH2 OT -0.834000 15.9994 0 + 3258 WT0 2117 TIP3 H1 HT 0.417000 1.0080 0 + 3259 WT0 2117 TIP3 H2 HT 0.417000 1.0080 0 + 3260 WT0 2118 TIP3 OH2 OT -0.834000 15.9994 0 + 3261 WT0 2118 TIP3 H1 HT 0.417000 1.0080 0 + 3262 WT0 2118 TIP3 H2 HT 0.417000 1.0080 0 + 3263 WT0 2123 TIP3 OH2 OT -0.834000 15.9994 0 + 3264 WT0 2123 TIP3 H1 HT 0.417000 1.0080 0 + 3265 WT0 2123 TIP3 H2 HT 0.417000 1.0080 0 + 3266 WT0 2127 TIP3 OH2 OT -0.834000 15.9994 0 + 3267 WT0 2127 TIP3 H1 HT 0.417000 1.0080 0 + 3268 WT0 2127 TIP3 H2 HT 0.417000 1.0080 0 + 3269 WT0 2129 TIP3 OH2 OT -0.834000 15.9994 0 + 3270 WT0 2129 TIP3 H1 HT 0.417000 1.0080 0 + 3271 WT0 2129 TIP3 H2 HT 0.417000 1.0080 0 + 3272 WT0 2133 TIP3 OH2 OT -0.834000 15.9994 0 + 3273 WT0 2133 TIP3 H1 HT 0.417000 1.0080 0 + 3274 WT0 2133 TIP3 H2 HT 0.417000 1.0080 0 + 3275 WT0 2134 TIP3 OH2 OT -0.834000 15.9994 0 + 3276 WT0 2134 TIP3 H1 HT 0.417000 1.0080 0 + 3277 WT0 2134 TIP3 H2 HT 0.417000 1.0080 0 + 3278 WT0 2135 TIP3 OH2 OT -0.834000 15.9994 0 + 3279 WT0 2135 TIP3 H1 HT 0.417000 1.0080 0 + 3280 WT0 2135 TIP3 H2 HT 0.417000 1.0080 0 + 3281 WT0 2136 TIP3 OH2 OT -0.834000 15.9994 0 + 3282 WT0 2136 TIP3 H1 HT 0.417000 1.0080 0 + 3283 WT0 2136 TIP3 H2 HT 0.417000 1.0080 0 + 3284 WT0 2137 TIP3 OH2 OT -0.834000 15.9994 0 + 3285 WT0 2137 TIP3 H1 HT 0.417000 1.0080 0 + 3286 WT0 2137 TIP3 H2 HT 0.417000 1.0080 0 + 3287 WT0 2147 TIP3 OH2 OT -0.834000 15.9994 0 + 3288 WT0 2147 TIP3 H1 HT 0.417000 1.0080 0 + 3289 WT0 2147 TIP3 H2 HT 0.417000 1.0080 0 + 3290 WT0 2151 TIP3 OH2 OT -0.834000 15.9994 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3638 WT0 2384 TIP3 OH2 OT -0.834000 15.9994 0 + 3639 WT0 2384 TIP3 H1 HT 0.417000 1.0080 0 + 3640 WT0 2384 TIP3 H2 HT 0.417000 1.0080 0 + 3641 WT0 2385 TIP3 OH2 OT -0.834000 15.9994 0 + 3642 WT0 2385 TIP3 H1 HT 0.417000 1.0080 0 + 3643 WT0 2385 TIP3 H2 HT 0.417000 1.0080 0 + 3644 WT0 2386 TIP3 OH2 OT -0.834000 15.9994 0 + 3645 WT0 2386 TIP3 H1 HT 0.417000 1.0080 0 + 3646 WT0 2386 TIP3 H2 HT 0.417000 1.0080 0 + 3647 WT0 2387 TIP3 OH2 OT -0.834000 15.9994 0 + 3648 WT0 2387 TIP3 H1 HT 0.417000 1.0080 0 + 3649 WT0 2387 TIP3 H2 HT 0.417000 1.0080 0 + 3650 WT0 2392 TIP3 OH2 OT -0.834000 15.9994 0 + 3651 WT0 2392 TIP3 H1 HT 0.417000 1.0080 0 + 3652 WT0 2392 TIP3 H2 HT 0.417000 1.0080 0 + 3653 WT0 2395 TIP3 OH2 OT -0.834000 15.9994 0 + 3654 WT0 2395 TIP3 H1 HT 0.417000 1.0080 0 + 3655 WT0 2395 TIP3 H2 HT 0.417000 1.0080 0 + 3656 WT0 2397 TIP3 OH2 OT -0.834000 15.9994 0 + 3657 WT0 2397 TIP3 H1 HT 0.417000 1.0080 0 + 3658 WT0 2397 TIP3 H2 HT 0.417000 1.0080 0 + 3659 WT0 2399 TIP3 OH2 OT -0.834000 15.9994 0 + 3660 WT0 2399 TIP3 H1 HT 0.417000 1.0080 0 + 3661 WT0 2399 TIP3 H2 HT 0.417000 1.0080 0 + 3662 WT0 2400 TIP3 OH2 OT -0.834000 15.9994 0 + 3663 WT0 2400 TIP3 H1 HT 0.417000 1.0080 0 + 3664 WT0 2400 TIP3 H2 HT 0.417000 1.0080 0 + 3665 WT0 2403 TIP3 OH2 OT -0.834000 15.9994 0 + 3666 WT0 2403 TIP3 H1 HT 0.417000 1.0080 0 + 3667 WT0 2403 TIP3 H2 HT 0.417000 1.0080 0 + 3668 WT0 2404 TIP3 OH2 OT -0.834000 15.9994 0 + 3669 WT0 2404 TIP3 H1 HT 0.417000 1.0080 0 + 3670 WT0 2404 TIP3 H2 HT 0.417000 1.0080 0 + 3671 WT0 2405 TIP3 OH2 OT -0.834000 15.9994 0 + 3672 WT0 2405 TIP3 H1 HT 0.417000 1.0080 0 + 3673 WT0 2405 TIP3 H2 HT 0.417000 1.0080 0 + 3674 WT0 2406 TIP3 OH2 OT -0.834000 15.9994 0 + 3675 WT0 2406 TIP3 H1 HT 0.417000 1.0080 0 + 3676 WT0 2406 TIP3 H2 HT 0.417000 1.0080 0 + 3677 WT0 2407 TIP3 OH2 OT -0.834000 15.9994 0 + 3678 WT0 2407 TIP3 H1 HT 0.417000 1.0080 0 + 3679 WT0 2407 TIP3 H2 HT 0.417000 1.0080 0 + 3680 WT0 2408 TIP3 OH2 OT -0.834000 15.9994 0 + 3681 WT0 2408 TIP3 H1 HT 0.417000 1.0080 0 + 3682 WT0 2408 TIP3 H2 HT 0.417000 1.0080 0 + 3683 WT0 2409 TIP3 OH2 OT -0.834000 15.9994 0 + 3684 WT0 2409 TIP3 H1 HT 0.417000 1.0080 0 + 3685 WT0 2409 TIP3 H2 HT 0.417000 1.0080 0 + 3686 WT0 2411 TIP3 OH2 OT -0.834000 15.9994 0 + 3687 WT0 2411 TIP3 H1 HT 0.417000 1.0080 0 + 3688 WT0 2411 TIP3 H2 HT 0.417000 1.0080 0 + 3689 WT0 2412 TIP3 OH2 OT -0.834000 15.9994 0 + 3690 WT0 2412 TIP3 H1 HT 0.417000 1.0080 0 + 3691 WT0 2412 TIP3 H2 HT 0.417000 1.0080 0 + 3692 WT0 2416 TIP3 OH2 OT -0.834000 15.9994 0 + 3693 WT0 2416 TIP3 H1 HT 0.417000 1.0080 0 + 3694 WT0 2416 TIP3 H2 HT 0.417000 1.0080 0 + 3695 WT0 2417 TIP3 OH2 OT -0.834000 15.9994 0 + 3696 WT0 2417 TIP3 H1 HT 0.417000 1.0080 0 + 3697 WT0 2417 TIP3 H2 HT 0.417000 1.0080 0 + 3698 WT0 2419 TIP3 OH2 OT -0.834000 15.9994 0 + 3699 WT0 2419 TIP3 H1 HT 0.417000 1.0080 0 + 3700 WT0 2419 TIP3 H2 HT 0.417000 1.0080 0 + 3701 WT0 2421 TIP3 OH2 OT -0.834000 15.9994 0 + 3702 WT0 2421 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 3725 WT0 2430 TIP3 OH2 OT -0.834000 15.9994 0 + 3726 WT0 2430 TIP3 H1 HT 0.417000 1.0080 0 + 3727 WT0 2430 TIP3 H2 HT 0.417000 1.0080 0 + 3728 WT0 2432 TIP3 OH2 OT -0.834000 15.9994 0 + 3729 WT0 2432 TIP3 H1 HT 0.417000 1.0080 0 + 3730 WT0 2432 TIP3 H2 HT 0.417000 1.0080 0 + 3731 WT0 2436 TIP3 OH2 OT -0.834000 15.9994 0 + 3732 WT0 2436 TIP3 H1 HT 0.417000 1.0080 0 + 3733 WT0 2436 TIP3 H2 HT 0.417000 1.0080 0 + 3734 WT0 2440 TIP3 OH2 OT -0.834000 15.9994 0 + 3735 WT0 2440 TIP3 H1 HT 0.417000 1.0080 0 + 3736 WT0 2440 TIP3 H2 HT 0.417000 1.0080 0 + 3737 WT0 2441 TIP3 OH2 OT -0.834000 15.9994 0 + 3738 WT0 2441 TIP3 H1 HT 0.417000 1.0080 0 + 3739 WT0 2441 TIP3 H2 HT 0.417000 1.0080 0 + 3740 WT0 2442 TIP3 OH2 OT -0.834000 15.9994 0 + 3741 WT0 2442 TIP3 H1 HT 0.417000 1.0080 0 + 3742 WT0 2442 TIP3 H2 HT 0.417000 1.0080 0 + 3743 WT0 2443 TIP3 OH2 OT -0.834000 15.9994 0 + 3744 WT0 2443 TIP3 H1 HT 0.417000 1.0080 0 + 3745 WT0 2443 TIP3 H2 HT 0.417000 1.0080 0 + 3746 WT0 2446 TIP3 OH2 OT -0.834000 15.9994 0 + 3747 WT0 2446 TIP3 H1 HT 0.417000 1.0080 0 + 3748 WT0 2446 TIP3 H2 HT 0.417000 1.0080 0 + 3749 WT0 2448 TIP3 OH2 OT -0.834000 15.9994 0 + 3750 WT0 2448 TIP3 H1 HT 0.417000 1.0080 0 + 3751 WT0 2448 TIP3 H2 HT 0.417000 1.0080 0 + 3752 WT0 2449 TIP3 OH2 OT -0.834000 15.9994 0 + 3753 WT0 2449 TIP3 H1 HT 0.417000 1.0080 0 + 3754 WT0 2449 TIP3 H2 HT 0.417000 1.0080 0 + 3755 WT0 2450 TIP3 OH2 OT -0.834000 15.9994 0 + 3756 WT0 2450 TIP3 H1 HT 0.417000 1.0080 0 + 3757 WT0 2450 TIP3 H2 HT 0.417000 1.0080 0 + 3758 WT0 2452 TIP3 OH2 OT -0.834000 15.9994 0 + 3759 WT0 2452 TIP3 H1 HT 0.417000 1.0080 0 + 3760 WT0 2452 TIP3 H2 HT 0.417000 1.0080 0 + 3761 WT0 2453 TIP3 OH2 OT -0.834000 15.9994 0 + 3762 WT0 2453 TIP3 H1 HT 0.417000 1.0080 0 + 3763 WT0 2453 TIP3 H2 HT 0.417000 1.0080 0 + 3764 WT0 2454 TIP3 OH2 OT -0.834000 15.9994 0 + 3765 WT0 2454 TIP3 H1 HT 0.417000 1.0080 0 + 3766 WT0 2454 TIP3 H2 HT 0.417000 1.0080 0 + 3767 WT0 2458 TIP3 OH2 OT -0.834000 15.9994 0 + 3768 WT0 2458 TIP3 H1 HT 0.417000 1.0080 0 + 3769 WT0 2458 TIP3 H2 HT 0.417000 1.0080 0 + 3770 WT0 2459 TIP3 OH2 OT -0.834000 15.9994 0 + 3771 WT0 2459 TIP3 H1 HT 0.417000 1.0080 0 + 3772 WT0 2459 TIP3 H2 HT 0.417000 1.0080 0 + 3773 WT0 2460 TIP3 OH2 OT -0.834000 15.9994 0 + 3774 WT0 2460 TIP3 H1 HT 0.417000 1.0080 0 + 3775 WT0 2460 TIP3 H2 HT 0.417000 1.0080 0 + 3776 WT0 2462 TIP3 OH2 OT -0.834000 15.9994 0 + 3777 WT0 2462 TIP3 H1 HT 0.417000 1.0080 0 + 3778 WT0 2462 TIP3 H2 HT 0.417000 1.0080 0 + 3779 WT0 2463 TIP3 OH2 OT -0.834000 15.9994 0 + 3780 WT0 2463 TIP3 H1 HT 0.417000 1.0080 0 + 3781 WT0 2463 TIP3 H2 HT 0.417000 1.0080 0 + 3782 WT0 2464 TIP3 OH2 OT -0.834000 15.9994 0 + 3783 WT0 2464 TIP3 H1 HT 0.417000 1.0080 0 + 3784 WT0 2464 TIP3 H2 HT 0.417000 1.0080 0 + 3785 WT0 2466 TIP3 OH2 OT -0.834000 15.9994 0 + 3786 WT0 2466 TIP3 H1 HT 0.417000 1.0080 0 + 3787 WT0 2466 TIP3 H2 HT 0.417000 1.0080 0 + 3788 WT0 2467 TIP3 OH2 OT -0.834000 15.9994 0 + 3789 WT0 2467 TIP3 H1 HT 0.417000 1.0080 0 + 3790 WT0 2467 TIP3 H2 HT 0.417000 1.0080 0 + 3791 WT0 2471 TIP3 OH2 OT -0.834000 15.9994 0 + 3792 WT0 2471 TIP3 H1 HT 0.417000 1.0080 0 + 3793 WT0 2471 TIP3 H2 HT 0.417000 1.0080 0 + 3794 WT0 2474 TIP3 OH2 OT -0.834000 15.9994 0 + 3795 WT0 2474 TIP3 H1 HT 0.417000 1.0080 0 + 3796 WT0 2474 TIP3 H2 HT 0.417000 1.0080 0 + 3797 WT0 2479 TIP3 OH2 OT -0.834000 15.9994 0 + 3798 WT0 2479 TIP3 H1 HT 0.417000 1.0080 0 + 3799 WT0 2479 TIP3 H2 HT 0.417000 1.0080 0 + 3800 WT0 2480 TIP3 OH2 OT -0.834000 15.9994 0 + 3801 WT0 2480 TIP3 H1 HT 0.417000 1.0080 0 + 3802 WT0 2480 TIP3 H2 HT 0.417000 1.0080 0 + 3803 WT0 2482 TIP3 OH2 OT -0.834000 15.9994 0 + 3804 WT0 2482 TIP3 H1 HT 0.417000 1.0080 0 + 3805 WT0 2482 TIP3 H2 HT 0.417000 1.0080 0 + 3806 WT0 2483 TIP3 OH2 OT -0.834000 15.9994 0 + 3807 WT0 2483 TIP3 H1 HT 0.417000 1.0080 0 + 3808 WT0 2483 TIP3 H2 HT 0.417000 1.0080 0 + 3809 WT0 2484 TIP3 OH2 OT -0.834000 15.9994 0 + 3810 WT0 2484 TIP3 H1 HT 0.417000 1.0080 0 + 3811 WT0 2484 TIP3 H2 HT 0.417000 1.0080 0 + 3812 WT0 2485 TIP3 OH2 OT -0.834000 15.9994 0 + 3813 WT0 2485 TIP3 H1 HT 0.417000 1.0080 0 + 3814 WT0 2485 TIP3 H2 HT 0.417000 1.0080 0 + 3815 WT0 2486 TIP3 OH2 OT -0.834000 15.9994 0 + 3816 WT0 2486 TIP3 H1 HT 0.417000 1.0080 0 + 3817 WT0 2486 TIP3 H2 HT 0.417000 1.0080 0 + 3818 WT0 2487 TIP3 OH2 OT -0.834000 15.9994 0 + 3819 WT0 2487 TIP3 H1 HT 0.417000 1.0080 0 + 3820 WT0 2487 TIP3 H2 HT 0.417000 1.0080 0 + 3821 WT0 2489 TIP3 OH2 OT -0.834000 15.9994 0 + 3822 WT0 2489 TIP3 H1 HT 0.417000 1.0080 0 + 3823 WT0 2489 TIP3 H2 HT 0.417000 1.0080 0 + 3824 WT0 2492 TIP3 OH2 OT -0.834000 15.9994 0 + 3825 WT0 2492 TIP3 H1 HT 0.417000 1.0080 0 + 3826 WT0 2492 TIP3 H2 HT 0.417000 1.0080 0 + 3827 WT0 2497 TIP3 OH2 OT -0.834000 15.9994 0 + 3828 WT0 2497 TIP3 H1 HT 0.417000 1.0080 0 + 3829 WT0 2497 TIP3 H2 HT 0.417000 1.0080 0 + 3830 WT0 2500 TIP3 OH2 OT -0.834000 15.9994 0 + 3831 WT0 2500 TIP3 H1 HT 0.417000 1.0080 0 + 3832 WT0 2500 TIP3 H2 HT 0.417000 1.0080 0 + 3833 WT0 2501 TIP3 OH2 OT -0.834000 15.9994 0 + 3834 WT0 2501 TIP3 H1 HT 0.417000 1.0080 0 + 3835 WT0 2501 TIP3 H2 HT 0.417000 1.0080 0 + 3836 WT0 2503 TIP3 OH2 OT -0.834000 15.9994 0 + 3837 WT0 2503 TIP3 H1 HT 0.417000 1.0080 0 + 3838 WT0 2503 TIP3 H2 HT 0.417000 1.0080 0 + 3839 WT0 2504 TIP3 OH2 OT -0.834000 15.9994 0 + 3840 WT0 2504 TIP3 H1 HT 0.417000 1.0080 0 + 3841 WT0 2504 TIP3 H2 HT 0.417000 1.0080 0 + 3842 WT0 2505 TIP3 OH2 OT -0.834000 15.9994 0 + 3843 WT0 2505 TIP3 H1 HT 0.417000 1.0080 0 + 3844 WT0 2505 TIP3 H2 HT 0.417000 1.0080 0 + 3845 WT0 2506 TIP3 OH2 OT -0.834000 15.9994 0 + 3846 WT0 2506 TIP3 H1 HT 0.417000 1.0080 0 + 3847 WT0 2506 TIP3 H2 HT 0.417000 1.0080 0 + 3848 WT0 2508 TIP3 OH2 OT -0.834000 15.9994 0 + 3849 WT0 2508 TIP3 H1 HT 0.417000 1.0080 0 + 3850 WT0 2508 TIP3 H2 HT 0.417000 1.0080 0 + 3851 WT0 2509 TIP3 OH2 OT -0.834000 15.9994 0 + 3852 WT0 2509 TIP3 H1 HT 0.417000 1.0080 0 + 3853 WT0 2509 TIP3 H2 HT 0.417000 1.0080 0 + 3854 WT0 2511 TIP3 OH2 OT -0.834000 15.9994 0 + 3855 WT0 2511 TIP3 H1 HT 0.417000 1.0080 0 + 3856 WT0 2511 TIP3 H2 HT 0.417000 1.0080 0 + 3857 WT0 2512 TIP3 OH2 OT -0.834000 15.9994 0 + 3858 WT0 2512 TIP3 H1 HT 0.417000 1.0080 0 + 3859 WT0 2512 TIP3 H2 HT 0.417000 1.0080 0 + 3860 WT0 2514 TIP3 OH2 OT -0.834000 15.9994 0 + 3861 WT0 2514 TIP3 H1 HT 0.417000 1.0080 0 + 3862 WT0 2514 TIP3 H2 HT 0.417000 1.0080 0 + 3863 WT0 2515 TIP3 OH2 OT -0.834000 15.9994 0 + 3864 WT0 2515 TIP3 H1 HT 0.417000 1.0080 0 + 3865 WT0 2515 TIP3 H2 HT 0.417000 1.0080 0 + 3866 WT0 2516 TIP3 OH2 OT -0.834000 15.9994 0 + 3867 WT0 2516 TIP3 H1 HT 0.417000 1.0080 0 + 3868 WT0 2516 TIP3 H2 HT 0.417000 1.0080 0 + 3869 WT0 2519 TIP3 OH2 OT -0.834000 15.9994 0 + 3870 WT0 2519 TIP3 H1 HT 0.417000 1.0080 0 + 3871 WT0 2519 TIP3 H2 HT 0.417000 1.0080 0 + 3872 WT0 2521 TIP3 OH2 OT -0.834000 15.9994 0 + 3873 WT0 2521 TIP3 H1 HT 0.417000 1.0080 0 + 3874 WT0 2521 TIP3 H2 HT 0.417000 1.0080 0 + 3875 WT0 2523 TIP3 OH2 OT -0.834000 15.9994 0 + 3876 WT0 2523 TIP3 H1 HT 0.417000 1.0080 0 + 3877 WT0 2523 TIP3 H2 HT 0.417000 1.0080 0 + 3878 WT0 2526 TIP3 OH2 OT -0.834000 15.9994 0 + 3879 WT0 2526 TIP3 H1 HT 0.417000 1.0080 0 + 3880 WT0 2526 TIP3 H2 HT 0.417000 1.0080 0 + 3881 WT0 2528 TIP3 OH2 OT -0.834000 15.9994 0 + 3882 WT0 2528 TIP3 H1 HT 0.417000 1.0080 0 + 3883 WT0 2528 TIP3 H2 HT 0.417000 1.0080 0 + 3884 WT0 2531 TIP3 OH2 OT -0.834000 15.9994 0 + 3885 WT0 2531 TIP3 H1 HT 0.417000 1.0080 0 + 3886 WT0 2531 TIP3 H2 HT 0.417000 1.0080 0 + 3887 WT0 2534 TIP3 OH2 OT -0.834000 15.9994 0 + 3888 WT0 2534 TIP3 H1 HT 0.417000 1.0080 0 + 3889 WT0 2534 TIP3 H2 HT 0.417000 1.0080 0 + 3890 WT0 2536 TIP3 OH2 OT -0.834000 15.9994 0 + 3891 WT0 2536 TIP3 H1 HT 0.417000 1.0080 0 + 3892 WT0 2536 TIP3 H2 HT 0.417000 1.0080 0 + 3893 WT0 2540 TIP3 OH2 OT -0.834000 15.9994 0 + 3894 WT0 2540 TIP3 H1 HT 0.417000 1.0080 0 + 3895 WT0 2540 TIP3 H2 HT 0.417000 1.0080 0 + 3896 WT0 2541 TIP3 OH2 OT -0.834000 15.9994 0 + 3897 WT0 2541 TIP3 H1 HT 0.417000 1.0080 0 + 3898 WT0 2541 TIP3 H2 HT 0.417000 1.0080 0 + 3899 WT0 2544 TIP3 OH2 OT -0.834000 15.9994 0 + 3900 WT0 2544 TIP3 H1 HT 0.417000 1.0080 0 + 3901 WT0 2544 TIP3 H2 HT 0.417000 1.0080 0 + 3902 WT0 2551 TIP3 OH2 OT -0.834000 15.9994 0 + 3903 WT0 2551 TIP3 H1 HT 0.417000 1.0080 0 + 3904 WT0 2551 TIP3 H2 HT 0.417000 1.0080 0 + 3905 WT0 2555 TIP3 OH2 OT -0.834000 15.9994 0 + 3906 WT0 2555 TIP3 H1 HT 0.417000 1.0080 0 + 3907 WT0 2555 TIP3 H2 HT 0.417000 1.0080 0 + 3908 WT0 2562 TIP3 OH2 OT -0.834000 15.9994 0 + 3909 WT0 2562 TIP3 H1 HT 0.417000 1.0080 0 + 3910 WT0 2562 TIP3 H2 HT 0.417000 1.0080 0 + 3911 WT0 2563 TIP3 OH2 OT -0.834000 15.9994 0 + 3912 WT0 2563 TIP3 H1 HT 0.417000 1.0080 0 + 3913 WT0 2563 TIP3 H2 HT 0.417000 1.0080 0 + 3914 WT0 2573 TIP3 OH2 OT -0.834000 15.9994 0 + 3915 WT0 2573 TIP3 H1 HT 0.417000 1.0080 0 + 3916 WT0 2573 TIP3 H2 HT 0.417000 1.0080 0 + 3917 WT0 2576 TIP3 OH2 OT -0.834000 15.9994 0 + 3918 WT0 2576 TIP3 H1 HT 0.417000 1.0080 0 + 3919 WT0 2576 TIP3 H2 HT 0.417000 1.0080 0 + 3920 WT0 2582 TIP3 OH2 OT -0.834000 15.9994 0 + 3921 WT0 2582 TIP3 H1 HT 0.417000 1.0080 0 + 3922 WT0 2582 TIP3 H2 HT 0.417000 1.0080 0 + 3923 WT0 2584 TIP3 OH2 OT -0.834000 15.9994 0 + 3924 WT0 2584 TIP3 H1 HT 0.417000 1.0080 0 + 3925 WT0 2584 TIP3 H2 HT 0.417000 1.0080 0 + 3926 WT0 2587 TIP3 OH2 OT -0.834000 15.9994 0 + 3927 WT0 2587 TIP3 H1 HT 0.417000 1.0080 0 + 3928 WT0 2587 TIP3 H2 HT 0.417000 1.0080 0 + 3929 WT0 2590 TIP3 OH2 OT -0.834000 15.9994 0 + 3930 WT0 2590 TIP3 H1 HT 0.417000 1.0080 0 + 3931 WT0 2590 TIP3 H2 HT 0.417000 1.0080 0 + 3932 WT0 2591 TIP3 OH2 OT -0.834000 15.9994 0 + 3933 WT0 2591 TIP3 H1 HT 0.417000 1.0080 0 + 3934 WT0 2591 TIP3 H2 HT 0.417000 1.0080 0 + 3935 WT0 2598 TIP3 OH2 OT -0.834000 15.9994 0 + 3936 WT0 2598 TIP3 H1 HT 0.417000 1.0080 0 + 3937 WT0 2598 TIP3 H2 HT 0.417000 1.0080 0 + 3938 WT0 2606 TIP3 OH2 OT -0.834000 15.9994 0 + 3939 WT0 2606 TIP3 H1 HT 0.417000 1.0080 0 + 3940 WT0 2606 TIP3 H2 HT 0.417000 1.0080 0 + 3941 WT0 2607 TIP3 OH2 OT -0.834000 15.9994 0 + 3942 WT0 2607 TIP3 H1 HT 0.417000 1.0080 0 + 3943 WT0 2607 TIP3 H2 HT 0.417000 1.0080 0 + 3944 WT0 2608 TIP3 OH2 OT -0.834000 15.9994 0 + 3945 WT0 2608 TIP3 H1 HT 0.417000 1.0080 0 + 3946 WT0 2608 TIP3 H2 HT 0.417000 1.0080 0 + 3947 WT0 2610 TIP3 OH2 OT -0.834000 15.9994 0 + 3948 WT0 2610 TIP3 H1 HT 0.417000 1.0080 0 + 3949 WT0 2610 TIP3 H2 HT 0.417000 1.0080 0 + 3950 WT0 2613 TIP3 OH2 OT -0.834000 15.9994 0 + 3951 WT0 2613 TIP3 H1 HT 0.417000 1.0080 0 + 3952 WT0 2613 TIP3 H2 HT 0.417000 1.0080 0 + 3953 WT0 2616 TIP3 OH2 OT -0.834000 15.9994 0 + 3954 WT0 2616 TIP3 H1 HT 0.417000 1.0080 0 + 3955 WT0 2616 TIP3 H2 HT 0.417000 1.0080 0 + 3956 WT0 2617 TIP3 OH2 OT -0.834000 15.9994 0 + 3957 WT0 2617 TIP3 H1 HT 0.417000 1.0080 0 + 3958 WT0 2617 TIP3 H2 HT 0.417000 1.0080 0 + 3959 WT0 2618 TIP3 OH2 OT -0.834000 15.9994 0 + 3960 WT0 2618 TIP3 H1 HT 0.417000 1.0080 0 + 3961 WT0 2618 TIP3 H2 HT 0.417000 1.0080 0 + 3962 WT0 2628 TIP3 OH2 OT -0.834000 15.9994 0 + 3963 WT0 2628 TIP3 H1 HT 0.417000 1.0080 0 + 3964 WT0 2628 TIP3 H2 HT 0.417000 1.0080 0 + 3965 WT0 2634 TIP3 OH2 OT -0.834000 15.9994 0 + 3966 WT0 2634 TIP3 H1 HT 0.417000 1.0080 0 + 3967 WT0 2634 TIP3 H2 HT 0.417000 1.0080 0 + 3968 WT0 2635 TIP3 OH2 OT -0.834000 15.9994 0 + 3969 WT0 2635 TIP3 H1 HT 0.417000 1.0080 0 + 3970 WT0 2635 TIP3 H2 HT 0.417000 1.0080 0 + 3971 WT0 2636 TIP3 OH2 OT -0.834000 15.9994 0 + 3972 WT0 2636 TIP3 H1 HT 0.417000 1.0080 0 + 3973 WT0 2636 TIP3 H2 HT 0.417000 1.0080 0 + 3974 WT0 2638 TIP3 OH2 OT -0.834000 15.9994 0 + 3975 WT0 2638 TIP3 H1 HT 0.417000 1.0080 0 + 3976 WT0 2638 TIP3 H2 HT 0.417000 1.0080 0 + 3977 WT0 2644 TIP3 OH2 OT -0.834000 15.9994 0 + 3978 WT0 2644 TIP3 H1 HT 0.417000 1.0080 0 + 3979 WT0 2644 TIP3 H2 HT 0.417000 1.0080 0 + 3980 WT0 2649 TIP3 OH2 OT -0.834000 15.9994 0 + 3981 WT0 2649 TIP3 H1 HT 0.417000 1.0080 0 + 3982 WT0 2649 TIP3 H2 HT 0.417000 1.0080 0 + 3983 WT0 2650 TIP3 OH2 OT -0.834000 15.9994 0 + 3984 WT0 2650 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4007 WT0 2670 TIP3 OH2 OT -0.834000 15.9994 0 + 4008 WT0 2670 TIP3 H1 HT 0.417000 1.0080 0 + 4009 WT0 2670 TIP3 H2 HT 0.417000 1.0080 0 + 4010 WT0 2673 TIP3 OH2 OT -0.834000 15.9994 0 + 4011 WT0 2673 TIP3 H1 HT 0.417000 1.0080 0 + 4012 WT0 2673 TIP3 H2 HT 0.417000 1.0080 0 + 4013 WT0 2674 TIP3 OH2 OT -0.834000 15.9994 0 + 4014 WT0 2674 TIP3 H1 HT 0.417000 1.0080 0 + 4015 WT0 2674 TIP3 H2 HT 0.417000 1.0080 0 + 4016 WT0 2675 TIP3 OH2 OT -0.834000 15.9994 0 + 4017 WT0 2675 TIP3 H1 HT 0.417000 1.0080 0 + 4018 WT0 2675 TIP3 H2 HT 0.417000 1.0080 0 + 4019 WT0 2676 TIP3 OH2 OT -0.834000 15.9994 0 + 4020 WT0 2676 TIP3 H1 HT 0.417000 1.0080 0 + 4021 WT0 2676 TIP3 H2 HT 0.417000 1.0080 0 + 4022 WT0 2677 TIP3 OH2 OT -0.834000 15.9994 0 + 4023 WT0 2677 TIP3 H1 HT 0.417000 1.0080 0 + 4024 WT0 2677 TIP3 H2 HT 0.417000 1.0080 0 + 4025 WT0 2678 TIP3 OH2 OT -0.834000 15.9994 0 + 4026 WT0 2678 TIP3 H1 HT 0.417000 1.0080 0 + 4027 WT0 2678 TIP3 H2 HT 0.417000 1.0080 0 + 4028 WT0 2680 TIP3 OH2 OT -0.834000 15.9994 0 + 4029 WT0 2680 TIP3 H1 HT 0.417000 1.0080 0 + 4030 WT0 2680 TIP3 H2 HT 0.417000 1.0080 0 + 4031 WT0 2681 TIP3 OH2 OT -0.834000 15.9994 0 + 4032 WT0 2681 TIP3 H1 HT 0.417000 1.0080 0 + 4033 WT0 2681 TIP3 H2 HT 0.417000 1.0080 0 + 4034 WT0 2682 TIP3 OH2 OT -0.834000 15.9994 0 + 4035 WT0 2682 TIP3 H1 HT 0.417000 1.0080 0 + 4036 WT0 2682 TIP3 H2 HT 0.417000 1.0080 0 + 4037 WT0 2683 TIP3 OH2 OT -0.834000 15.9994 0 + 4038 WT0 2683 TIP3 H1 HT 0.417000 1.0080 0 + 4039 WT0 2683 TIP3 H2 HT 0.417000 1.0080 0 + 4040 WT0 2684 TIP3 OH2 OT -0.834000 15.9994 0 + 4041 WT0 2684 TIP3 H1 HT 0.417000 1.0080 0 + 4042 WT0 2684 TIP3 H2 HT 0.417000 1.0080 0 + 4043 WT0 2689 TIP3 OH2 OT -0.834000 15.9994 0 + 4044 WT0 2689 TIP3 H1 HT 0.417000 1.0080 0 + 4045 WT0 2689 TIP3 H2 HT 0.417000 1.0080 0 + 4046 WT0 2690 TIP3 OH2 OT -0.834000 15.9994 0 + 4047 WT0 2690 TIP3 H1 HT 0.417000 1.0080 0 + 4048 WT0 2690 TIP3 H2 HT 0.417000 1.0080 0 + 4049 WT0 2691 TIP3 OH2 OT -0.834000 15.9994 0 + 4050 WT0 2691 TIP3 H1 HT 0.417000 1.0080 0 + 4051 WT0 2691 TIP3 H2 HT 0.417000 1.0080 0 + 4052 WT0 2692 TIP3 OH2 OT -0.834000 15.9994 0 + 4053 WT0 2692 TIP3 H1 HT 0.417000 1.0080 0 + 4054 WT0 2692 TIP3 H2 HT 0.417000 1.0080 0 + 4055 WT0 2693 TIP3 OH2 OT -0.834000 15.9994 0 + 4056 WT0 2693 TIP3 H1 HT 0.417000 1.0080 0 + 4057 WT0 2693 TIP3 H2 HT 0.417000 1.0080 0 + 4058 WT0 2694 TIP3 OH2 OT -0.834000 15.9994 0 + 4059 WT0 2694 TIP3 H1 HT 0.417000 1.0080 0 + 4060 WT0 2694 TIP3 H2 HT 0.417000 1.0080 0 + 4061 WT0 2695 TIP3 OH2 OT -0.834000 15.9994 0 + 4062 WT0 2695 TIP3 H1 HT 0.417000 1.0080 0 + 4063 WT0 2695 TIP3 H2 HT 0.417000 1.0080 0 + 4064 WT0 2696 TIP3 OH2 OT -0.834000 15.9994 0 + 4065 WT0 2696 TIP3 H1 HT 0.417000 1.0080 0 + 4066 WT0 2696 TIP3 H2 HT 0.417000 1.0080 0 + 4067 WT0 2698 TIP3 OH2 OT -0.834000 15.9994 0 + 4068 WT0 2698 TIP3 H1 HT 0.417000 1.0080 0 + 4069 WT0 2698 TIP3 H2 HT 0.417000 1.0080 0 + 4070 WT0 2699 TIP3 OH2 OT -0.834000 15.9994 0 + 4071 WT0 2699 TIP3 H1 HT 0.417000 1.0080 0 + 4072 WT0 2699 TIP3 H2 HT 0.417000 1.0080 0 + 4073 WT0 2700 TIP3 OH2 OT -0.834000 15.9994 0 + 4074 WT0 2700 TIP3 H1 HT 0.417000 1.0080 0 + 4075 WT0 2700 TIP3 H2 HT 0.417000 1.0080 0 + 4076 WT0 2701 TIP3 OH2 OT -0.834000 15.9994 0 + 4077 WT0 2701 TIP3 H1 HT 0.417000 1.0080 0 + 4078 WT0 2701 TIP3 H2 HT 0.417000 1.0080 0 + 4079 WT0 2702 TIP3 OH2 OT -0.834000 15.9994 0 + 4080 WT0 2702 TIP3 H1 HT 0.417000 1.0080 0 + 4081 WT0 2702 TIP3 H2 HT 0.417000 1.0080 0 + 4082 WT0 2703 TIP3 OH2 OT -0.834000 15.9994 0 + 4083 WT0 2703 TIP3 H1 HT 0.417000 1.0080 0 + 4084 WT0 2703 TIP3 H2 HT 0.417000 1.0080 0 + 4085 WT0 2709 TIP3 OH2 OT -0.834000 15.9994 0 + 4086 WT0 2709 TIP3 H1 HT 0.417000 1.0080 0 + 4087 WT0 2709 TIP3 H2 HT 0.417000 1.0080 0 + 4088 WT0 2710 TIP3 OH2 OT -0.834000 15.9994 0 + 4089 WT0 2710 TIP3 H1 HT 0.417000 1.0080 0 + 4090 WT0 2710 TIP3 H2 HT 0.417000 1.0080 0 + 4091 WT0 2713 TIP3 OH2 OT -0.834000 15.9994 0 + 4092 WT0 2713 TIP3 H1 HT 0.417000 1.0080 0 + 4093 WT0 2713 TIP3 H2 HT 0.417000 1.0080 0 + 4094 WT0 2714 TIP3 OH2 OT -0.834000 15.9994 0 + 4095 WT0 2714 TIP3 H1 HT 0.417000 1.0080 0 + 4096 WT0 2714 TIP3 H2 HT 0.417000 1.0080 0 + 4097 WT0 2715 TIP3 OH2 OT -0.834000 15.9994 0 + 4098 WT0 2715 TIP3 H1 HT 0.417000 1.0080 0 + 4099 WT0 2715 TIP3 H2 HT 0.417000 1.0080 0 + 4100 WT0 2718 TIP3 OH2 OT -0.834000 15.9994 0 + 4101 WT0 2718 TIP3 H1 HT 0.417000 1.0080 0 + 4102 WT0 2718 TIP3 H2 HT 0.417000 1.0080 0 + 4103 WT0 2719 TIP3 OH2 OT -0.834000 15.9994 0 + 4104 WT0 2719 TIP3 H1 HT 0.417000 1.0080 0 + 4105 WT0 2719 TIP3 H2 HT 0.417000 1.0080 0 + 4106 WT0 2720 TIP3 OH2 OT -0.834000 15.9994 0 + 4107 WT0 2720 TIP3 H1 HT 0.417000 1.0080 0 + 4108 WT0 2720 TIP3 H2 HT 0.417000 1.0080 0 + 4109 WT0 2721 TIP3 OH2 OT -0.834000 15.9994 0 + 4110 WT0 2721 TIP3 H1 HT 0.417000 1.0080 0 + 4111 WT0 2721 TIP3 H2 HT 0.417000 1.0080 0 + 4112 WT0 2722 TIP3 OH2 OT -0.834000 15.9994 0 + 4113 WT0 2722 TIP3 H1 HT 0.417000 1.0080 0 + 4114 WT0 2722 TIP3 H2 HT 0.417000 1.0080 0 + 4115 WT0 2723 TIP3 OH2 OT -0.834000 15.9994 0 + 4116 WT0 2723 TIP3 H1 HT 0.417000 1.0080 0 + 4117 WT0 2723 TIP3 H2 HT 0.417000 1.0080 0 + 4118 WT0 2724 TIP3 OH2 OT -0.834000 15.9994 0 + 4119 WT0 2724 TIP3 H1 HT 0.417000 1.0080 0 + 4120 WT0 2724 TIP3 H2 HT 0.417000 1.0080 0 + 4121 WT0 2731 TIP3 OH2 OT -0.834000 15.9994 0 + 4122 WT0 2731 TIP3 H1 HT 0.417000 1.0080 0 + 4123 WT0 2731 TIP3 H2 HT 0.417000 1.0080 0 + 4124 WT0 2732 TIP3 OH2 OT -0.834000 15.9994 0 + 4125 WT0 2732 TIP3 H1 HT 0.417000 1.0080 0 + 4126 WT0 2732 TIP3 H2 HT 0.417000 1.0080 0 + 4127 WT0 2734 TIP3 OH2 OT -0.834000 15.9994 0 + 4128 WT0 2734 TIP3 H1 HT 0.417000 1.0080 0 + 4129 WT0 2734 TIP3 H2 HT 0.417000 1.0080 0 + 4130 WT0 2735 TIP3 OH2 OT -0.834000 15.9994 0 + 4131 WT0 2735 TIP3 H1 HT 0.417000 1.0080 0 + 4132 WT0 2735 TIP3 H2 HT 0.417000 1.0080 0 + 4133 WT0 2736 TIP3 OH2 OT -0.834000 15.9994 0 + 4134 WT0 2736 TIP3 H1 HT 0.417000 1.0080 0 + 4135 WT0 2736 TIP3 H2 HT 0.417000 1.0080 0 + 4136 WT0 2737 TIP3 OH2 OT -0.834000 15.9994 0 + 4137 WT0 2737 TIP3 H1 HT 0.417000 1.0080 0 + 4138 WT0 2737 TIP3 H2 HT 0.417000 1.0080 0 + 4139 WT0 2743 TIP3 OH2 OT -0.834000 15.9994 0 + 4140 WT0 2743 TIP3 H1 HT 0.417000 1.0080 0 + 4141 WT0 2743 TIP3 H2 HT 0.417000 1.0080 0 + 4142 WT0 2746 TIP3 OH2 OT -0.834000 15.9994 0 + 4143 WT0 2746 TIP3 H1 HT 0.417000 1.0080 0 + 4144 WT0 2746 TIP3 H2 HT 0.417000 1.0080 0 + 4145 WT0 2753 TIP3 OH2 OT -0.834000 15.9994 0 + 4146 WT0 2753 TIP3 H1 HT 0.417000 1.0080 0 + 4147 WT0 2753 TIP3 H2 HT 0.417000 1.0080 0 + 4148 WT0 2754 TIP3 OH2 OT -0.834000 15.9994 0 + 4149 WT0 2754 TIP3 H1 HT 0.417000 1.0080 0 + 4150 WT0 2754 TIP3 H2 HT 0.417000 1.0080 0 + 4151 WT0 2755 TIP3 OH2 OT -0.834000 15.9994 0 + 4152 WT0 2755 TIP3 H1 HT 0.417000 1.0080 0 + 4153 WT0 2755 TIP3 H2 HT 0.417000 1.0080 0 + 4154 WT0 2756 TIP3 OH2 OT -0.834000 15.9994 0 + 4155 WT0 2756 TIP3 H1 HT 0.417000 1.0080 0 + 4156 WT0 2756 TIP3 H2 HT 0.417000 1.0080 0 + 4157 WT0 2758 TIP3 OH2 OT -0.834000 15.9994 0 + 4158 WT0 2758 TIP3 H1 HT 0.417000 1.0080 0 + 4159 WT0 2758 TIP3 H2 HT 0.417000 1.0080 0 + 4160 WT0 2760 TIP3 OH2 OT -0.834000 15.9994 0 + 4161 WT0 2760 TIP3 H1 HT 0.417000 1.0080 0 + 4162 WT0 2760 TIP3 H2 HT 0.417000 1.0080 0 + 4163 WT0 2761 TIP3 OH2 OT -0.834000 15.9994 0 + 4164 WT0 2761 TIP3 H1 HT 0.417000 1.0080 0 + 4165 WT0 2761 TIP3 H2 HT 0.417000 1.0080 0 + 4166 WT0 2762 TIP3 OH2 OT -0.834000 15.9994 0 + 4167 WT0 2762 TIP3 H1 HT 0.417000 1.0080 0 + 4168 WT0 2762 TIP3 H2 HT 0.417000 1.0080 0 + 4169 WT0 2765 TIP3 OH2 OT -0.834000 15.9994 0 + 4170 WT0 2765 TIP3 H1 HT 0.417000 1.0080 0 + 4171 WT0 2765 TIP3 H2 HT 0.417000 1.0080 0 + 4172 WT0 2766 TIP3 OH2 OT -0.834000 15.9994 0 + 4173 WT0 2766 TIP3 H1 HT 0.417000 1.0080 0 + 4174 WT0 2766 TIP3 H2 HT 0.417000 1.0080 0 + 4175 WT0 2767 TIP3 OH2 OT -0.834000 15.9994 0 + 4176 WT0 2767 TIP3 H1 HT 0.417000 1.0080 0 + 4177 WT0 2767 TIP3 H2 HT 0.417000 1.0080 0 + 4178 WT0 2771 TIP3 OH2 OT -0.834000 15.9994 0 + 4179 WT0 2771 TIP3 H1 HT 0.417000 1.0080 0 + 4180 WT0 2771 TIP3 H2 HT 0.417000 1.0080 0 + 4181 WT0 2774 TIP3 OH2 OT -0.834000 15.9994 0 + 4182 WT0 2774 TIP3 H1 HT 0.417000 1.0080 0 + 4183 WT0 2774 TIP3 H2 HT 0.417000 1.0080 0 + 4184 WT0 2775 TIP3 OH2 OT -0.834000 15.9994 0 + 4185 WT0 2775 TIP3 H1 HT 0.417000 1.0080 0 + 4186 WT0 2775 TIP3 H2 HT 0.417000 1.0080 0 + 4187 WT0 2777 TIP3 OH2 OT -0.834000 15.9994 0 + 4188 WT0 2777 TIP3 H1 HT 0.417000 1.0080 0 + 4189 WT0 2777 TIP3 H2 HT 0.417000 1.0080 0 + 4190 WT0 2778 TIP3 OH2 OT -0.834000 15.9994 0 + 4191 WT0 2778 TIP3 H1 HT 0.417000 1.0080 0 + 4192 WT0 2778 TIP3 H2 HT 0.417000 1.0080 0 + 4193 WT0 2779 TIP3 OH2 OT -0.834000 15.9994 0 + 4194 WT0 2779 TIP3 H1 HT 0.417000 1.0080 0 + 4195 WT0 2779 TIP3 H2 HT 0.417000 1.0080 0 + 4196 WT0 2781 TIP3 OH2 OT -0.834000 15.9994 0 + 4197 WT0 2781 TIP3 H1 HT 0.417000 1.0080 0 + 4198 WT0 2781 TIP3 H2 HT 0.417000 1.0080 0 + 4199 WT0 2783 TIP3 OH2 OT -0.834000 15.9994 0 + 4200 WT0 2783 TIP3 H1 HT 0.417000 1.0080 0 + 4201 WT0 2783 TIP3 H2 HT 0.417000 1.0080 0 + 4202 WT0 2784 TIP3 OH2 OT -0.834000 15.9994 0 + 4203 WT0 2784 TIP3 H1 HT 0.417000 1.0080 0 + 4204 WT0 2784 TIP3 H2 HT 0.417000 1.0080 0 + 4205 WT0 2785 TIP3 OH2 OT -0.834000 15.9994 0 + 4206 WT0 2785 TIP3 H1 HT 0.417000 1.0080 0 + 4207 WT0 2785 TIP3 H2 HT 0.417000 1.0080 0 + 4208 WT0 2786 TIP3 OH2 OT -0.834000 15.9994 0 + 4209 WT0 2786 TIP3 H1 HT 0.417000 1.0080 0 + 4210 WT0 2786 TIP3 H2 HT 0.417000 1.0080 0 + 4211 WT0 2787 TIP3 OH2 OT -0.834000 15.9994 0 + 4212 WT0 2787 TIP3 H1 HT 0.417000 1.0080 0 + 4213 WT0 2787 TIP3 H2 HT 0.417000 1.0080 0 + 4214 WT0 2794 TIP3 OH2 OT -0.834000 15.9994 0 + 4215 WT0 2794 TIP3 H1 HT 0.417000 1.0080 0 + 4216 WT0 2794 TIP3 H2 HT 0.417000 1.0080 0 + 4217 WT0 2795 TIP3 OH2 OT -0.834000 15.9994 0 + 4218 WT0 2795 TIP3 H1 HT 0.417000 1.0080 0 + 4219 WT0 2795 TIP3 H2 HT 0.417000 1.0080 0 + 4220 WT0 2796 TIP3 OH2 OT -0.834000 15.9994 0 + 4221 WT0 2796 TIP3 H1 HT 0.417000 1.0080 0 + 4222 WT0 2796 TIP3 H2 HT 0.417000 1.0080 0 + 4223 WT0 2798 TIP3 OH2 OT 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2808 TIP3 H1 HT 0.417000 1.0080 0 + 4246 WT0 2808 TIP3 H2 HT 0.417000 1.0080 0 + 4247 WT0 2809 TIP3 OH2 OT -0.834000 15.9994 0 + 4248 WT0 2809 TIP3 H1 HT 0.417000 1.0080 0 + 4249 WT0 2809 TIP3 H2 HT 0.417000 1.0080 0 + 4250 WT0 2815 TIP3 OH2 OT -0.834000 15.9994 0 + 4251 WT0 2815 TIP3 H1 HT 0.417000 1.0080 0 + 4252 WT0 2815 TIP3 H2 HT 0.417000 1.0080 0 + 4253 WT0 2819 TIP3 OH2 OT -0.834000 15.9994 0 + 4254 WT0 2819 TIP3 H1 HT 0.417000 1.0080 0 + 4255 WT0 2819 TIP3 H2 HT 0.417000 1.0080 0 + 4256 WT0 2820 TIP3 OH2 OT -0.834000 15.9994 0 + 4257 WT0 2820 TIP3 H1 HT 0.417000 1.0080 0 + 4258 WT0 2820 TIP3 H2 HT 0.417000 1.0080 0 + 4259 WT0 2822 TIP3 OH2 OT -0.834000 15.9994 0 + 4260 WT0 2822 TIP3 H1 HT 0.417000 1.0080 0 + 4261 WT0 2822 TIP3 H2 HT 0.417000 1.0080 0 + 4262 WT0 2823 TIP3 OH2 OT -0.834000 15.9994 0 + 4263 WT0 2823 TIP3 H1 HT 0.417000 1.0080 0 + 4264 WT0 2823 TIP3 H2 HT 0.417000 1.0080 0 + 4265 WT0 2824 TIP3 OH2 OT -0.834000 15.9994 0 + 4266 WT0 2824 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4289 WT0 2840 TIP3 OH2 OT -0.834000 15.9994 0 + 4290 WT0 2840 TIP3 H1 HT 0.417000 1.0080 0 + 4291 WT0 2840 TIP3 H2 HT 0.417000 1.0080 0 + 4292 WT0 2842 TIP3 OH2 OT -0.834000 15.9994 0 + 4293 WT0 2842 TIP3 H1 HT 0.417000 1.0080 0 + 4294 WT0 2842 TIP3 H2 HT 0.417000 1.0080 0 + 4295 WT0 2843 TIP3 OH2 OT -0.834000 15.9994 0 + 4296 WT0 2843 TIP3 H1 HT 0.417000 1.0080 0 + 4297 WT0 2843 TIP3 H2 HT 0.417000 1.0080 0 + 4298 WT0 2844 TIP3 OH2 OT -0.834000 15.9994 0 + 4299 WT0 2844 TIP3 H1 HT 0.417000 1.0080 0 + 4300 WT0 2844 TIP3 H2 HT 0.417000 1.0080 0 + 4301 WT0 2846 TIP3 OH2 OT -0.834000 15.9994 0 + 4302 WT0 2846 TIP3 H1 HT 0.417000 1.0080 0 + 4303 WT0 2846 TIP3 H2 HT 0.417000 1.0080 0 + 4304 WT0 2847 TIP3 OH2 OT -0.834000 15.9994 0 + 4305 WT0 2847 TIP3 H1 HT 0.417000 1.0080 0 + 4306 WT0 2847 TIP3 H2 HT 0.417000 1.0080 0 + 4307 WT0 2848 TIP3 OH2 OT -0.834000 15.9994 0 + 4308 WT0 2848 TIP3 H1 HT 0.417000 1.0080 0 + 4309 WT0 2848 TIP3 H2 HT 0.417000 1.0080 0 + 4310 WT0 2850 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4332 WT0 2863 TIP3 H1 HT 0.417000 1.0080 0 + 4333 WT0 2863 TIP3 H2 HT 0.417000 1.0080 0 + 4334 WT0 2864 TIP3 OH2 OT -0.834000 15.9994 0 + 4335 WT0 2864 TIP3 H1 HT 0.417000 1.0080 0 + 4336 WT0 2864 TIP3 H2 HT 0.417000 1.0080 0 + 4337 WT0 2868 TIP3 OH2 OT -0.834000 15.9994 0 + 4338 WT0 2868 TIP3 H1 HT 0.417000 1.0080 0 + 4339 WT0 2868 TIP3 H2 HT 0.417000 1.0080 0 + 4340 WT0 2869 TIP3 OH2 OT -0.834000 15.9994 0 + 4341 WT0 2869 TIP3 H1 HT 0.417000 1.0080 0 + 4342 WT0 2869 TIP3 H2 HT 0.417000 1.0080 0 + 4343 WT0 2871 TIP3 OH2 OT -0.834000 15.9994 0 + 4344 WT0 2871 TIP3 H1 HT 0.417000 1.0080 0 + 4345 WT0 2871 TIP3 H2 HT 0.417000 1.0080 0 + 4346 WT0 2874 TIP3 OH2 OT -0.834000 15.9994 0 + 4347 WT0 2874 TIP3 H1 HT 0.417000 1.0080 0 + 4348 WT0 2874 TIP3 H2 HT 0.417000 1.0080 0 + 4349 WT0 2877 TIP3 OH2 OT -0.834000 15.9994 0 + 4350 WT0 2877 TIP3 H1 HT 0.417000 1.0080 0 + 4351 WT0 2877 TIP3 H2 HT 0.417000 1.0080 0 + 4352 WT0 2878 TIP3 OH2 OT -0.834000 15.9994 0 + 4353 WT0 2878 TIP3 H1 HT 0.417000 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2901 TIP3 OH2 OT -0.834000 15.9994 0 + 4398 WT0 2901 TIP3 H1 HT 0.417000 1.0080 0 + 4399 WT0 2901 TIP3 H2 HT 0.417000 1.0080 0 + 4400 WT0 2903 TIP3 OH2 OT -0.834000 15.9994 0 + 4401 WT0 2903 TIP3 H1 HT 0.417000 1.0080 0 + 4402 WT0 2903 TIP3 H2 HT 0.417000 1.0080 0 + 4403 WT0 2904 TIP3 OH2 OT -0.834000 15.9994 0 + 4404 WT0 2904 TIP3 H1 HT 0.417000 1.0080 0 + 4405 WT0 2904 TIP3 H2 HT 0.417000 1.0080 0 + 4406 WT0 2906 TIP3 OH2 OT -0.834000 15.9994 0 + 4407 WT0 2906 TIP3 H1 HT 0.417000 1.0080 0 + 4408 WT0 2906 TIP3 H2 HT 0.417000 1.0080 0 + 4409 WT0 2908 TIP3 OH2 OT -0.834000 15.9994 0 + 4410 WT0 2908 TIP3 H1 HT 0.417000 1.0080 0 + 4411 WT0 2908 TIP3 H2 HT 0.417000 1.0080 0 + 4412 WT0 2909 TIP3 OH2 OT -0.834000 15.9994 0 + 4413 WT0 2909 TIP3 H1 HT 0.417000 1.0080 0 + 4414 WT0 2909 TIP3 H2 HT 0.417000 1.0080 0 + 4415 WT0 2910 TIP3 OH2 OT -0.834000 15.9994 0 + 4416 WT0 2910 TIP3 H1 HT 0.417000 1.0080 0 + 4417 WT0 2910 TIP3 H2 HT 0.417000 1.0080 0 + 4418 WT0 2911 TIP3 OH2 OT -0.834000 15.9994 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4484 WT0 2955 TIP3 OH2 OT -0.834000 15.9994 0 + 4485 WT0 2955 TIP3 H1 HT 0.417000 1.0080 0 + 4486 WT0 2955 TIP3 H2 HT 0.417000 1.0080 0 + 4487 WT0 2957 TIP3 OH2 OT -0.834000 15.9994 0 + 4488 WT0 2957 TIP3 H1 HT 0.417000 1.0080 0 + 4489 WT0 2957 TIP3 H2 HT 0.417000 1.0080 0 + 4490 WT0 2960 TIP3 OH2 OT -0.834000 15.9994 0 + 4491 WT0 2960 TIP3 H1 HT 0.417000 1.0080 0 + 4492 WT0 2960 TIP3 H2 HT 0.417000 1.0080 0 + 4493 WT0 2961 TIP3 OH2 OT -0.834000 15.9994 0 + 4494 WT0 2961 TIP3 H1 HT 0.417000 1.0080 0 + 4495 WT0 2961 TIP3 H2 HT 0.417000 1.0080 0 + 4496 WT0 2963 TIP3 OH2 OT -0.834000 15.9994 0 + 4497 WT0 2963 TIP3 H1 HT 0.417000 1.0080 0 + 4498 WT0 2963 TIP3 H2 HT 0.417000 1.0080 0 + 4499 WT0 2965 TIP3 OH2 OT -0.834000 15.9994 0 + 4500 WT0 2965 TIP3 H1 HT 0.417000 1.0080 0 + 4501 WT0 2965 TIP3 H2 HT 0.417000 1.0080 0 + 4502 WT0 2966 TIP3 OH2 OT -0.834000 15.9994 0 + 4503 WT0 2966 TIP3 H1 HT 0.417000 1.0080 0 + 4504 WT0 2966 TIP3 H2 HT 0.417000 1.0080 0 + 4505 WT0 2967 TIP3 OH2 OT 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TIP3 OH2 OT -0.834000 15.9994 0 + 4593 WT0 3048 TIP3 H1 HT 0.417000 1.0080 0 + 4594 WT0 3048 TIP3 H2 HT 0.417000 1.0080 0 + 4595 WT0 3049 TIP3 OH2 OT -0.834000 15.9994 0 + 4596 WT0 3049 TIP3 H1 HT 0.417000 1.0080 0 + 4597 WT0 3049 TIP3 H2 HT 0.417000 1.0080 0 + 4598 WT0 3050 TIP3 OH2 OT -0.834000 15.9994 0 + 4599 WT0 3050 TIP3 H1 HT 0.417000 1.0080 0 + 4600 WT0 3050 TIP3 H2 HT 0.417000 1.0080 0 + 4601 WT0 3053 TIP3 OH2 OT -0.834000 15.9994 0 + 4602 WT0 3053 TIP3 H1 HT 0.417000 1.0080 0 + 4603 WT0 3053 TIP3 H2 HT 0.417000 1.0080 0 + 4604 WT0 3057 TIP3 OH2 OT -0.834000 15.9994 0 + 4605 WT0 3057 TIP3 H1 HT 0.417000 1.0080 0 + 4606 WT0 3057 TIP3 H2 HT 0.417000 1.0080 0 + 4607 WT0 3070 TIP3 OH2 OT -0.834000 15.9994 0 + 4608 WT0 3070 TIP3 H1 HT 0.417000 1.0080 0 + 4609 WT0 3070 TIP3 H2 HT 0.417000 1.0080 0 + 4610 WT0 3071 TIP3 OH2 OT -0.834000 15.9994 0 + 4611 WT0 3071 TIP3 H1 HT 0.417000 1.0080 0 + 4612 WT0 3071 TIP3 H2 HT 0.417000 1.0080 0 + 4613 WT0 3072 TIP3 OH2 OT -0.834000 15.9994 0 + 4614 WT0 3072 TIP3 H1 HT 0.417000 1.0080 0 + 4615 WT0 3072 TIP3 H2 HT 0.417000 1.0080 0 + 4616 WT0 3073 TIP3 OH2 OT -0.834000 15.9994 0 + 4617 WT0 3073 TIP3 H1 HT 0.417000 1.0080 0 + 4618 WT0 3073 TIP3 H2 HT 0.417000 1.0080 0 + 4619 WT0 3075 TIP3 OH2 OT -0.834000 15.9994 0 + 4620 WT0 3075 TIP3 H1 HT 0.417000 1.0080 0 + 4621 WT0 3075 TIP3 H2 HT 0.417000 1.0080 0 + 4622 WT0 3079 TIP3 OH2 OT -0.834000 15.9994 0 + 4623 WT0 3079 TIP3 H1 HT 0.417000 1.0080 0 + 4624 WT0 3079 TIP3 H2 HT 0.417000 1.0080 0 + 4625 WT0 3080 TIP3 OH2 OT -0.834000 15.9994 0 + 4626 WT0 3080 TIP3 H1 HT 0.417000 1.0080 0 + 4627 WT0 3080 TIP3 H2 HT 0.417000 1.0080 0 + 4628 WT0 3081 TIP3 OH2 OT -0.834000 15.9994 0 + 4629 WT0 3081 TIP3 H1 HT 0.417000 1.0080 0 + 4630 WT0 3081 TIP3 H2 HT 0.417000 1.0080 0 + 4631 WT0 3085 TIP3 OH2 OT -0.834000 15.9994 0 + 4632 WT0 3085 TIP3 H1 HT 0.417000 1.0080 0 + 4633 WT0 3085 TIP3 H2 HT 0.417000 1.0080 0 + 4634 WT0 3086 TIP3 OH2 OT -0.834000 15.9994 0 + 4635 WT0 3086 TIP3 H1 HT 0.417000 1.0080 0 + 4636 WT0 3086 TIP3 H2 HT 0.417000 1.0080 0 + 4637 WT0 3091 TIP3 OH2 OT -0.834000 15.9994 0 + 4638 WT0 3091 TIP3 H1 HT 0.417000 1.0080 0 + 4639 WT0 3091 TIP3 H2 HT 0.417000 1.0080 0 + 4640 WT0 3094 TIP3 OH2 OT -0.834000 15.9994 0 + 4641 WT0 3094 TIP3 H1 HT 0.417000 1.0080 0 + 4642 WT0 3094 TIP3 H2 HT 0.417000 1.0080 0 + 4643 WT0 3095 TIP3 OH2 OT -0.834000 15.9994 0 + 4644 WT0 3095 TIP3 H1 HT 0.417000 1.0080 0 + 4645 WT0 3095 TIP3 H2 HT 0.417000 1.0080 0 + 4646 WT0 3096 TIP3 OH2 OT -0.834000 15.9994 0 + 4647 WT0 3096 TIP3 H1 HT 0.417000 1.0080 0 + 4648 WT0 3096 TIP3 H2 HT 0.417000 1.0080 0 + 4649 WT0 3097 TIP3 OH2 OT -0.834000 15.9994 0 + 4650 WT0 3097 TIP3 H1 HT 0.417000 1.0080 0 + 4651 WT0 3097 TIP3 H2 HT 0.417000 1.0080 0 + 4652 WT0 3102 TIP3 OH2 OT -0.834000 15.9994 0 + 4653 WT0 3102 TIP3 H1 HT 0.417000 1.0080 0 + 4654 WT0 3102 TIP3 H2 HT 0.417000 1.0080 0 + 4655 WT0 3103 TIP3 OH2 OT -0.834000 15.9994 0 + 4656 WT0 3103 TIP3 H1 HT 0.417000 1.0080 0 + 4657 WT0 3103 TIP3 H2 HT 0.417000 1.0080 0 + 4658 WT0 3104 TIP3 OH2 OT -0.834000 15.9994 0 + 4659 WT0 3104 TIP3 H1 HT 0.417000 1.0080 0 + 4660 WT0 3104 TIP3 H2 HT 0.417000 1.0080 0 + 4661 WT0 3108 TIP3 OH2 OT -0.834000 15.9994 0 + 4662 WT0 3108 TIP3 H1 HT 0.417000 1.0080 0 + 4663 WT0 3108 TIP3 H2 HT 0.417000 1.0080 0 + 4664 WT0 3109 TIP3 OH2 OT -0.834000 15.9994 0 + 4665 WT0 3109 TIP3 H1 HT 0.417000 1.0080 0 + 4666 WT0 3109 TIP3 H2 HT 0.417000 1.0080 0 + 4667 WT0 3111 TIP3 OH2 OT -0.834000 15.9994 0 + 4668 WT0 3111 TIP3 H1 HT 0.417000 1.0080 0 + 4669 WT0 3111 TIP3 H2 HT 0.417000 1.0080 0 + 4670 WT0 3113 TIP3 OH2 OT -0.834000 15.9994 0 + 4671 WT0 3113 TIP3 H1 HT 0.417000 1.0080 0 + 4672 WT0 3113 TIP3 H2 HT 0.417000 1.0080 0 + 4673 WT0 3114 TIP3 OH2 OT -0.834000 15.9994 0 + 4674 WT0 3114 TIP3 H1 HT 0.417000 1.0080 0 + 4675 WT0 3114 TIP3 H2 HT 0.417000 1.0080 0 + 4676 WT0 3115 TIP3 OH2 OT -0.834000 15.9994 0 + 4677 WT0 3115 TIP3 H1 HT 0.417000 1.0080 0 + 4678 WT0 3115 TIP3 H2 HT 0.417000 1.0080 0 + 4679 WT0 3119 TIP3 OH2 OT -0.834000 15.9994 0 + 4680 WT0 3119 TIP3 H1 HT 0.417000 1.0080 0 + 4681 WT0 3119 TIP3 H2 HT 0.417000 1.0080 0 + 4682 WT0 3120 TIP3 OH2 OT -0.834000 15.9994 0 + 4683 WT0 3120 TIP3 H1 HT 0.417000 1.0080 0 + 4684 WT0 3120 TIP3 H2 HT 0.417000 1.0080 0 + 4685 WT0 3121 TIP3 OH2 OT -0.834000 15.9994 0 + 4686 WT0 3121 TIP3 H1 HT 0.417000 1.0080 0 + 4687 WT0 3121 TIP3 H2 HT 0.417000 1.0080 0 + 4688 WT0 3129 TIP3 OH2 OT -0.834000 15.9994 0 + 4689 WT0 3129 TIP3 H1 HT 0.417000 1.0080 0 + 4690 WT0 3129 TIP3 H2 HT 0.417000 1.0080 0 + 4691 WT0 3131 TIP3 OH2 OT -0.834000 15.9994 0 + 4692 WT0 3131 TIP3 H1 HT 0.417000 1.0080 0 + 4693 WT0 3131 TIP3 H2 HT 0.417000 1.0080 0 + 4694 WT0 3134 TIP3 OH2 OT -0.834000 15.9994 0 + 4695 WT0 3134 TIP3 H1 HT 0.417000 1.0080 0 + 4696 WT0 3134 TIP3 H2 HT 0.417000 1.0080 0 + 4697 WT0 3136 TIP3 OH2 OT -0.834000 15.9994 0 + 4698 WT0 3136 TIP3 H1 HT 0.417000 1.0080 0 + 4699 WT0 3136 TIP3 H2 HT 0.417000 1.0080 0 + 4700 WT0 3138 TIP3 OH2 OT -0.834000 15.9994 0 + 4701 WT0 3138 TIP3 H1 HT 0.417000 1.0080 0 + 4702 WT0 3138 TIP3 H2 HT 0.417000 1.0080 0 + 4703 WT0 3139 TIP3 OH2 OT -0.834000 15.9994 0 + 4704 WT0 3139 TIP3 H1 HT 0.417000 1.0080 0 + 4705 WT0 3139 TIP3 H2 HT 0.417000 1.0080 0 + 4706 WT0 3140 TIP3 OH2 OT -0.834000 15.9994 0 + 4707 WT0 3140 TIP3 H1 HT 0.417000 1.0080 0 + 4708 WT0 3140 TIP3 H2 HT 0.417000 1.0080 0 + 4709 WT0 3142 TIP3 OH2 OT -0.834000 15.9994 0 + 4710 WT0 3142 TIP3 H1 HT 0.417000 1.0080 0 + 4711 WT0 3142 TIP3 H2 HT 0.417000 1.0080 0 + 4712 WT0 3143 TIP3 OH2 OT -0.834000 15.9994 0 + 4713 WT0 3143 TIP3 H1 HT 0.417000 1.0080 0 + 4714 WT0 3143 TIP3 H2 HT 0.417000 1.0080 0 + 4715 WT0 3144 TIP3 OH2 OT -0.834000 15.9994 0 + 4716 WT0 3144 TIP3 H1 HT 0.417000 1.0080 0 + 4717 WT0 3144 TIP3 H2 HT 0.417000 1.0080 0 + 4718 WT0 3145 TIP3 OH2 OT -0.834000 15.9994 0 + 4719 WT0 3145 TIP3 H1 HT 0.417000 1.0080 0 + 4720 WT0 3145 TIP3 H2 HT 0.417000 1.0080 0 + 4721 WT0 3150 TIP3 OH2 OT -0.834000 15.9994 0 + 4722 WT0 3150 TIP3 H1 HT 0.417000 1.0080 0 + 4723 WT0 3150 TIP3 H2 HT 0.417000 1.0080 0 + 4724 WT0 3152 TIP3 OH2 OT -0.834000 15.9994 0 + 4725 WT0 3152 TIP3 H1 HT 0.417000 1.0080 0 + 4726 WT0 3152 TIP3 H2 HT 0.417000 1.0080 0 + 4727 WT0 3154 TIP3 OH2 OT -0.834000 15.9994 0 + 4728 WT0 3154 TIP3 H1 HT 0.417000 1.0080 0 + 4729 WT0 3154 TIP3 H2 HT 0.417000 1.0080 0 + 4730 WT0 3156 TIP3 OH2 OT -0.834000 15.9994 0 + 4731 WT0 3156 TIP3 H1 HT 0.417000 1.0080 0 + 4732 WT0 3156 TIP3 H2 HT 0.417000 1.0080 0 + 4733 WT0 3157 TIP3 OH2 OT -0.834000 15.9994 0 + 4734 WT0 3157 TIP3 H1 HT 0.417000 1.0080 0 + 4735 WT0 3157 TIP3 H2 HT 0.417000 1.0080 0 + 4736 WT0 3158 TIP3 OH2 OT -0.834000 15.9994 0 + 4737 WT0 3158 TIP3 H1 HT 0.417000 1.0080 0 + 4738 WT0 3158 TIP3 H2 HT 0.417000 1.0080 0 + 4739 WT0 3159 TIP3 OH2 OT -0.834000 15.9994 0 + 4740 WT0 3159 TIP3 H1 HT 0.417000 1.0080 0 + 4741 WT0 3159 TIP3 H2 HT 0.417000 1.0080 0 + 4742 WT0 3160 TIP3 OH2 OT -0.834000 15.9994 0 + 4743 WT0 3160 TIP3 H1 HT 0.417000 1.0080 0 + 4744 WT0 3160 TIP3 H2 HT 0.417000 1.0080 0 + 4745 WT0 3161 TIP3 OH2 OT -0.834000 15.9994 0 + 4746 WT0 3161 TIP3 H1 HT 0.417000 1.0080 0 + 4747 WT0 3161 TIP3 H2 HT 0.417000 1.0080 0 + 4748 WT0 3163 TIP3 OH2 OT -0.834000 15.9994 0 + 4749 WT0 3163 TIP3 H1 HT 0.417000 1.0080 0 + 4750 WT0 3163 TIP3 H2 HT 0.417000 1.0080 0 + 4751 WT0 3164 TIP3 OH2 OT -0.834000 15.9994 0 + 4752 WT0 3164 TIP3 H1 HT 0.417000 1.0080 0 + 4753 WT0 3164 TIP3 H2 HT 0.417000 1.0080 0 + 4754 WT0 3167 TIP3 OH2 OT -0.834000 15.9994 0 + 4755 WT0 3167 TIP3 H1 HT 0.417000 1.0080 0 + 4756 WT0 3167 TIP3 H2 HT 0.417000 1.0080 0 + 4757 WT0 3169 TIP3 OH2 OT -0.834000 15.9994 0 + 4758 WT0 3169 TIP3 H1 HT 0.417000 1.0080 0 + 4759 WT0 3169 TIP3 H2 HT 0.417000 1.0080 0 + 4760 WT0 3173 TIP3 OH2 OT -0.834000 15.9994 0 + 4761 WT0 3173 TIP3 H1 HT 0.417000 1.0080 0 + 4762 WT0 3173 TIP3 H2 HT 0.417000 1.0080 0 + 4763 WT0 3175 TIP3 OH2 OT -0.834000 15.9994 0 + 4764 WT0 3175 TIP3 H1 HT 0.417000 1.0080 0 + 4765 WT0 3175 TIP3 H2 HT 0.417000 1.0080 0 + 4766 WT0 3176 TIP3 OH2 OT -0.834000 15.9994 0 + 4767 WT0 3176 TIP3 H1 HT 0.417000 1.0080 0 + 4768 WT0 3176 TIP3 H2 HT 0.417000 1.0080 0 + 4769 WT0 3177 TIP3 OH2 OT -0.834000 15.9994 0 + 4770 WT0 3177 TIP3 H1 HT 0.417000 1.0080 0 + 4771 WT0 3177 TIP3 H2 HT 0.417000 1.0080 0 + 4772 WT0 3181 TIP3 OH2 OT -0.834000 15.9994 0 + 4773 WT0 3181 TIP3 H1 HT 0.417000 1.0080 0 + 4774 WT0 3181 TIP3 H2 HT 0.417000 1.0080 0 + 4775 WT0 3183 TIP3 OH2 OT -0.834000 15.9994 0 + 4776 WT0 3183 TIP3 H1 HT 0.417000 1.0080 0 + 4777 WT0 3183 TIP3 H2 HT 0.417000 1.0080 0 + 4778 WT0 3184 TIP3 OH2 OT -0.834000 15.9994 0 + 4779 WT0 3184 TIP3 H1 HT 0.417000 1.0080 0 + 4780 WT0 3184 TIP3 H2 HT 0.417000 1.0080 0 + 4781 WT0 3185 TIP3 OH2 OT -0.834000 15.9994 0 + 4782 WT0 3185 TIP3 H1 HT 0.417000 1.0080 0 + 4783 WT0 3185 TIP3 H2 HT 0.417000 1.0080 0 + 4784 WT0 3186 TIP3 OH2 OT -0.834000 15.9994 0 + 4785 WT0 3186 TIP3 H1 HT 0.417000 1.0080 0 + 4786 WT0 3186 TIP3 H2 HT 0.417000 1.0080 0 + 4787 WT0 3187 TIP3 OH2 OT -0.834000 15.9994 0 + 4788 WT0 3187 TIP3 H1 HT 0.417000 1.0080 0 + 4789 WT0 3187 TIP3 H2 HT 0.417000 1.0080 0 + 4790 WT0 3189 TIP3 OH2 OT -0.834000 15.9994 0 + 4791 WT0 3189 TIP3 H1 HT 0.417000 1.0080 0 + 4792 WT0 3189 TIP3 H2 HT 0.417000 1.0080 0 + 4793 WT0 3192 TIP3 OH2 OT -0.834000 15.9994 0 + 4794 WT0 3192 TIP3 H1 HT 0.417000 1.0080 0 + 4795 WT0 3192 TIP3 H2 HT 0.417000 1.0080 0 + 4796 WT0 3193 TIP3 OH2 OT -0.834000 15.9994 0 + 4797 WT0 3193 TIP3 H1 HT 0.417000 1.0080 0 + 4798 WT0 3193 TIP3 H2 HT 0.417000 1.0080 0 + 4799 WT0 3196 TIP3 OH2 OT -0.834000 15.9994 0 + 4800 WT0 3196 TIP3 H1 HT 0.417000 1.0080 0 + 4801 WT0 3196 TIP3 H2 HT 0.417000 1.0080 0 + 4802 WT0 3197 TIP3 OH2 OT -0.834000 15.9994 0 + 4803 WT0 3197 TIP3 H1 HT 0.417000 1.0080 0 + 4804 WT0 3197 TIP3 H2 HT 0.417000 1.0080 0 + 4805 WT0 3198 TIP3 OH2 OT -0.834000 15.9994 0 + 4806 WT0 3198 TIP3 H1 HT 0.417000 1.0080 0 + 4807 WT0 3198 TIP3 H2 HT 0.417000 1.0080 0 + 4808 WT0 3203 TIP3 OH2 OT -0.834000 15.9994 0 + 4809 WT0 3203 TIP3 H1 HT 0.417000 1.0080 0 + 4810 WT0 3203 TIP3 H2 HT 0.417000 1.0080 0 + 4811 WT0 3205 TIP3 OH2 OT -0.834000 15.9994 0 + 4812 WT0 3205 TIP3 H1 HT 0.417000 1.0080 0 + 4813 WT0 3205 TIP3 H2 HT 0.417000 1.0080 0 + 4814 WT0 3207 TIP3 OH2 OT -0.834000 15.9994 0 + 4815 WT0 3207 TIP3 H1 HT 0.417000 1.0080 0 + 4816 WT0 3207 TIP3 H2 HT 0.417000 1.0080 0 + 4817 WT0 3210 TIP3 OH2 OT -0.834000 15.9994 0 + 4818 WT0 3210 TIP3 H1 HT 0.417000 1.0080 0 + 4819 WT0 3210 TIP3 H2 HT 0.417000 1.0080 0 + 4820 WT0 3214 TIP3 OH2 OT -0.834000 15.9994 0 + 4821 WT0 3214 TIP3 H1 HT 0.417000 1.0080 0 + 4822 WT0 3214 TIP3 H2 HT 0.417000 1.0080 0 + 4823 WT0 3218 TIP3 OH2 OT -0.834000 15.9994 0 + 4824 WT0 3218 TIP3 H1 HT 0.417000 1.0080 0 + 4825 WT0 3218 TIP3 H2 HT 0.417000 1.0080 0 + 4826 WT0 3220 TIP3 OH2 OT -0.834000 15.9994 0 + 4827 WT0 3220 TIP3 H1 HT 0.417000 1.0080 0 + 4828 WT0 3220 TIP3 H2 HT 0.417000 1.0080 0 + 4829 WT0 3221 TIP3 OH2 OT -0.834000 15.9994 0 + 4830 WT0 3221 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 4853 WT0 3234 TIP3 OH2 OT -0.834000 15.9994 0 + 4854 WT0 3234 TIP3 H1 HT 0.417000 1.0080 0 + 4855 WT0 3234 TIP3 H2 HT 0.417000 1.0080 0 + 4856 WT0 3236 TIP3 OH2 OT -0.834000 15.9994 0 + 4857 WT0 3236 TIP3 H1 HT 0.417000 1.0080 0 + 4858 WT0 3236 TIP3 H2 HT 0.417000 1.0080 0 + 4859 WT0 3239 TIP3 OH2 OT -0.834000 15.9994 0 + 4860 WT0 3239 TIP3 H1 HT 0.417000 1.0080 0 + 4861 WT0 3239 TIP3 H2 HT 0.417000 1.0080 0 + 4862 WT0 3241 TIP3 OH2 OT -0.834000 15.9994 0 + 4863 WT0 3241 TIP3 H1 HT 0.417000 1.0080 0 + 4864 WT0 3241 TIP3 H2 HT 0.417000 1.0080 0 + 4865 WT0 3243 TIP3 OH2 OT -0.834000 15.9994 0 + 4866 WT0 3243 TIP3 H1 HT 0.417000 1.0080 0 + 4867 WT0 3243 TIP3 H2 HT 0.417000 1.0080 0 + 4868 WT0 3244 TIP3 OH2 OT -0.834000 15.9994 0 + 4869 WT0 3244 TIP3 H1 HT 0.417000 1.0080 0 + 4870 WT0 3244 TIP3 H2 HT 0.417000 1.0080 0 + 4871 WT0 3245 TIP3 OH2 OT -0.834000 15.9994 0 + 4872 WT0 3245 TIP3 H1 HT 0.417000 1.0080 0 + 4873 WT0 3245 TIP3 H2 HT 0.417000 1.0080 0 + 4874 WT0 3246 TIP3 OH2 OT -0.834000 15.9994 0 + 4875 WT0 3246 TIP3 H1 HT 0.417000 1.0080 0 + 4876 WT0 3246 TIP3 H2 HT 0.417000 1.0080 0 + 4877 WT0 3248 TIP3 OH2 OT -0.834000 15.9994 0 + 4878 WT0 3248 TIP3 H1 HT 0.417000 1.0080 0 + 4879 WT0 3248 TIP3 H2 HT 0.417000 1.0080 0 + 4880 WT0 3249 TIP3 OH2 OT -0.834000 15.9994 0 + 4881 WT0 3249 TIP3 H1 HT 0.417000 1.0080 0 + 4882 WT0 3249 TIP3 H2 HT 0.417000 1.0080 0 + 4883 WT0 3257 TIP3 OH2 OT -0.834000 15.9994 0 + 4884 WT0 3257 TIP3 H1 HT 0.417000 1.0080 0 + 4885 WT0 3257 TIP3 H2 HT 0.417000 1.0080 0 + 4886 WT0 3258 TIP3 OH2 OT -0.834000 15.9994 0 + 4887 WT0 3258 TIP3 H1 HT 0.417000 1.0080 0 + 4888 WT0 3258 TIP3 H2 HT 0.417000 1.0080 0 + 4889 WT0 3262 TIP3 OH2 OT -0.834000 15.9994 0 + 4890 WT0 3262 TIP3 H1 HT 0.417000 1.0080 0 + 4891 WT0 3262 TIP3 H2 HT 0.417000 1.0080 0 + 4892 WT0 3263 TIP3 OH2 OT -0.834000 15.9994 0 + 4893 WT0 3263 TIP3 H1 HT 0.417000 1.0080 0 + 4894 WT0 3263 TIP3 H2 HT 0.417000 1.0080 0 + 4895 WT0 3264 TIP3 OH2 OT -0.834000 15.9994 0 + 4896 WT0 3264 TIP3 H1 HT 0.417000 1.0080 0 + 4897 WT0 3264 TIP3 H2 HT 0.417000 1.0080 0 + 4898 WT0 3266 TIP3 OH2 OT -0.834000 15.9994 0 + 4899 WT0 3266 TIP3 H1 HT 0.417000 1.0080 0 + 4900 WT0 3266 TIP3 H2 HT 0.417000 1.0080 0 + 4901 WT0 3267 TIP3 OH2 OT -0.834000 15.9994 0 + 4902 WT0 3267 TIP3 H1 HT 0.417000 1.0080 0 + 4903 WT0 3267 TIP3 H2 HT 0.417000 1.0080 0 + 4904 WT0 3268 TIP3 OH2 OT -0.834000 15.9994 0 + 4905 WT0 3268 TIP3 H1 HT 0.417000 1.0080 0 + 4906 WT0 3268 TIP3 H2 HT 0.417000 1.0080 0 + 4907 WT0 3269 TIP3 OH2 OT -0.834000 15.9994 0 + 4908 WT0 3269 TIP3 H1 HT 0.417000 1.0080 0 + 4909 WT0 3269 TIP3 H2 HT 0.417000 1.0080 0 + 4910 WT0 3270 TIP3 OH2 OT -0.834000 15.9994 0 + 4911 WT0 3270 TIP3 H1 HT 0.417000 1.0080 0 + 4912 WT0 3270 TIP3 H2 HT 0.417000 1.0080 0 + 4913 WT0 3271 TIP3 OH2 OT -0.834000 15.9994 0 + 4914 WT0 3271 TIP3 H1 HT 0.417000 1.0080 0 + 4915 WT0 3271 TIP3 H2 HT 0.417000 1.0080 0 + 4916 WT0 3273 TIP3 OH2 OT -0.834000 15.9994 0 + 4917 WT0 3273 TIP3 H1 HT 0.417000 1.0080 0 + 4918 WT0 3273 TIP3 H2 HT 0.417000 1.0080 0 + 4919 WT0 3274 TIP3 OH2 OT -0.834000 15.9994 0 + 4920 WT0 3274 TIP3 H1 HT 0.417000 1.0080 0 + 4921 WT0 3274 TIP3 H2 HT 0.417000 1.0080 0 + 4922 WT0 3276 TIP3 OH2 OT -0.834000 15.9994 0 + 4923 WT0 3276 TIP3 H1 HT 0.417000 1.0080 0 + 4924 WT0 3276 TIP3 H2 HT 0.417000 1.0080 0 + 4925 WT0 3277 TIP3 OH2 OT -0.834000 15.9994 0 + 4926 WT0 3277 TIP3 H1 HT 0.417000 1.0080 0 + 4927 WT0 3277 TIP3 H2 HT 0.417000 1.0080 0 + 4928 WT0 3278 TIP3 OH2 OT -0.834000 15.9994 0 + 4929 WT0 3278 TIP3 H1 HT 0.417000 1.0080 0 + 4930 WT0 3278 TIP3 H2 HT 0.417000 1.0080 0 + 4931 WT0 3279 TIP3 OH2 OT -0.834000 15.9994 0 + 4932 WT0 3279 TIP3 H1 HT 0.417000 1.0080 0 + 4933 WT0 3279 TIP3 H2 HT 0.417000 1.0080 0 + 4934 WT0 3280 TIP3 OH2 OT -0.834000 15.9994 0 + 4935 WT0 3280 TIP3 H1 HT 0.417000 1.0080 0 + 4936 WT0 3280 TIP3 H2 HT 0.417000 1.0080 0 + 4937 WT0 3282 TIP3 OH2 OT -0.834000 15.9994 0 + 4938 WT0 3282 TIP3 H1 HT 0.417000 1.0080 0 + 4939 WT0 3282 TIP3 H2 HT 0.417000 1.0080 0 + 4940 WT0 3283 TIP3 OH2 OT -0.834000 15.9994 0 + 4941 WT0 3283 TIP3 H1 HT 0.417000 1.0080 0 + 4942 WT0 3283 TIP3 H2 HT 0.417000 1.0080 0 + 4943 WT0 3285 TIP3 OH2 OT -0.834000 15.9994 0 + 4944 WT0 3285 TIP3 H1 HT 0.417000 1.0080 0 + 4945 WT0 3285 TIP3 H2 HT 0.417000 1.0080 0 + 4946 WT0 3287 TIP3 OH2 OT -0.834000 15.9994 0 + 4947 WT0 3287 TIP3 H1 HT 0.417000 1.0080 0 + 4948 WT0 3287 TIP3 H2 HT 0.417000 1.0080 0 + 4949 WT0 3288 TIP3 OH2 OT -0.834000 15.9994 0 + 4950 WT0 3288 TIP3 H1 HT 0.417000 1.0080 0 + 4951 WT0 3288 TIP3 H2 HT 0.417000 1.0080 0 + 4952 WT0 3289 TIP3 OH2 OT -0.834000 15.9994 0 + 4953 WT0 3289 TIP3 H1 HT 0.417000 1.0080 0 + 4954 WT0 3289 TIP3 H2 HT 0.417000 1.0080 0 + 4955 WT0 3290 TIP3 OH2 OT -0.834000 15.9994 0 + 4956 WT0 3290 TIP3 H1 HT 0.417000 1.0080 0 + 4957 WT0 3290 TIP3 H2 HT 0.417000 1.0080 0 + 4958 WT0 3293 TIP3 OH2 OT -0.834000 15.9994 0 + 4959 WT0 3293 TIP3 H1 HT 0.417000 1.0080 0 + 4960 WT0 3293 TIP3 H2 HT 0.417000 1.0080 0 + 4961 WT0 3295 TIP3 OH2 OT -0.834000 15.9994 0 + 4962 WT0 3295 TIP3 H1 HT 0.417000 1.0080 0 + 4963 WT0 3295 TIP3 H2 HT 0.417000 1.0080 0 + 4964 WT0 3296 TIP3 OH2 OT -0.834000 15.9994 0 + 4965 WT0 3296 TIP3 H1 HT 0.417000 1.0080 0 + 4966 WT0 3296 TIP3 H2 HT 0.417000 1.0080 0 + 4967 WT0 3298 TIP3 OH2 OT -0.834000 15.9994 0 + 4968 WT0 3298 TIP3 H1 HT 0.417000 1.0080 0 + 4969 WT0 3298 TIP3 H2 HT 0.417000 1.0080 0 + 4970 WT0 3301 TIP3 OH2 OT -0.834000 15.9994 0 + 4971 WT0 3301 TIP3 H1 HT 0.417000 1.0080 0 + 4972 WT0 3301 TIP3 H2 HT 0.417000 1.0080 0 + 4973 WT0 3302 TIP3 OH2 OT -0.834000 15.9994 0 + 4974 WT0 3302 TIP3 H1 HT 0.417000 1.0080 0 + 4975 WT0 3302 TIP3 H2 HT 0.417000 1.0080 0 + 4976 WT0 3304 TIP3 OH2 OT -0.834000 15.9994 0 + 4977 WT0 3304 TIP3 H1 HT 0.417000 1.0080 0 + 4978 WT0 3304 TIP3 H2 HT 0.417000 1.0080 0 + 4979 WT0 3310 TIP3 OH2 OT -0.834000 15.9994 0 + 4980 WT0 3310 TIP3 H1 HT 0.417000 1.0080 0 + 4981 WT0 3310 TIP3 H2 HT 0.417000 1.0080 0 + 4982 WT0 3311 TIP3 OH2 OT -0.834000 15.9994 0 + 4983 WT0 3311 TIP3 H1 HT 0.417000 1.0080 0 + 4984 WT0 3311 TIP3 H2 HT 0.417000 1.0080 0 + 4985 WT0 3312 TIP3 OH2 OT -0.834000 15.9994 0 + 4986 WT0 3312 TIP3 H1 HT 0.417000 1.0080 0 + 4987 WT0 3312 TIP3 H2 HT 0.417000 1.0080 0 + 4988 WT0 3314 TIP3 OH2 OT -0.834000 15.9994 0 + 4989 WT0 3314 TIP3 H1 HT 0.417000 1.0080 0 + 4990 WT0 3314 TIP3 H2 HT 0.417000 1.0080 0 + 4991 WT0 3315 TIP3 OH2 OT -0.834000 15.9994 0 + 4992 WT0 3315 TIP3 H1 HT 0.417000 1.0080 0 + 4993 WT0 3315 TIP3 H2 HT 0.417000 1.0080 0 + 4994 WT0 3317 TIP3 OH2 OT -0.834000 15.9994 0 + 4995 WT0 3317 TIP3 H1 HT 0.417000 1.0080 0 + 4996 WT0 3317 TIP3 H2 HT 0.417000 1.0080 0 + 4997 WT0 3319 TIP3 OH2 OT -0.834000 15.9994 0 + 4998 WT0 3319 TIP3 H1 HT 0.417000 1.0080 0 + 4999 WT0 3319 TIP3 H2 HT 0.417000 1.0080 0 + 5000 WT0 3322 TIP3 OH2 OT -0.834000 15.9994 0 + 5001 WT0 3322 TIP3 H1 HT 0.417000 1.0080 0 + 5002 WT0 3322 TIP3 H2 HT 0.417000 1.0080 0 + 5003 WT0 3323 TIP3 OH2 OT -0.834000 15.9994 0 + 5004 WT0 3323 TIP3 H1 HT 0.417000 1.0080 0 + 5005 WT0 3323 TIP3 H2 HT 0.417000 1.0080 0 + 5006 WT0 3325 TIP3 OH2 OT -0.834000 15.9994 0 + 5007 WT0 3325 TIP3 H1 HT 0.417000 1.0080 0 + 5008 WT0 3325 TIP3 H2 HT 0.417000 1.0080 0 + 5009 WT0 3327 TIP3 OH2 OT -0.834000 15.9994 0 + 5010 WT0 3327 TIP3 H1 HT 0.417000 1.0080 0 + 5011 WT0 3327 TIP3 H2 HT 0.417000 1.0080 0 + 5012 WT0 3328 TIP3 OH2 OT -0.834000 15.9994 0 + 5013 WT0 3328 TIP3 H1 HT 0.417000 1.0080 0 + 5014 WT0 3328 TIP3 H2 HT 0.417000 1.0080 0 + 5015 WT0 3329 TIP3 OH2 OT -0.834000 15.9994 0 + 5016 WT0 3329 TIP3 H1 HT 0.417000 1.0080 0 + 5017 WT0 3329 TIP3 H2 HT 0.417000 1.0080 0 + 5018 WT0 3330 TIP3 OH2 OT -0.834000 15.9994 0 + 5019 WT0 3330 TIP3 H1 HT 0.417000 1.0080 0 + 5020 WT0 3330 TIP3 H2 HT 0.417000 1.0080 0 + 5021 WT0 3333 TIP3 OH2 OT -0.834000 15.9994 0 + 5022 WT0 3333 TIP3 H1 HT 0.417000 1.0080 0 + 5023 WT0 3333 TIP3 H2 HT 0.417000 1.0080 0 + 5024 WT0 3335 TIP3 OH2 OT -0.834000 15.9994 0 + 5025 WT0 3335 TIP3 H1 HT 0.417000 1.0080 0 + 5026 WT0 3335 TIP3 H2 HT 0.417000 1.0080 0 + 5027 WT0 3337 TIP3 OH2 OT -0.834000 15.9994 0 + 5028 WT0 3337 TIP3 H1 HT 0.417000 1.0080 0 + 5029 WT0 3337 TIP3 H2 HT 0.417000 1.0080 0 + 5030 WT0 3341 TIP3 OH2 OT -0.834000 15.9994 0 + 5031 WT0 3341 TIP3 H1 HT 0.417000 1.0080 0 + 5032 WT0 3341 TIP3 H2 HT 0.417000 1.0080 0 + 5033 WT0 3342 TIP3 OH2 OT -0.834000 15.9994 0 + 5034 WT0 3342 TIP3 H1 HT 0.417000 1.0080 0 + 5035 WT0 3342 TIP3 H2 HT 0.417000 1.0080 0 + 5036 WT0 3344 TIP3 OH2 OT -0.834000 15.9994 0 + 5037 WT0 3344 TIP3 H1 HT 0.417000 1.0080 0 + 5038 WT0 3344 TIP3 H2 HT 0.417000 1.0080 0 + 5039 WT0 3345 TIP3 OH2 OT -0.834000 15.9994 0 + 5040 WT0 3345 TIP3 H1 HT 0.417000 1.0080 0 + 5041 WT0 3345 TIP3 H2 HT 0.417000 1.0080 0 + 5042 WT0 3348 TIP3 OH2 OT -0.834000 15.9994 0 + 5043 WT0 3348 TIP3 H1 HT 0.417000 1.0080 0 + 5044 WT0 3348 TIP3 H2 HT 0.417000 1.0080 0 + 5045 WT0 3349 TIP3 OH2 OT -0.834000 15.9994 0 + 5046 WT0 3349 TIP3 H1 HT 0.417000 1.0080 0 + 5047 WT0 3349 TIP3 H2 HT 0.417000 1.0080 0 + 5048 WT0 3352 TIP3 OH2 OT -0.834000 15.9994 0 + 5049 WT0 3352 TIP3 H1 HT 0.417000 1.0080 0 + 5050 WT0 3352 TIP3 H2 HT 0.417000 1.0080 0 + 5051 WT0 3353 TIP3 OH2 OT -0.834000 15.9994 0 + 5052 WT0 3353 TIP3 H1 HT 0.417000 1.0080 0 + 5053 WT0 3353 TIP3 H2 HT 0.417000 1.0080 0 + 5054 WT0 3354 TIP3 OH2 OT -0.834000 15.9994 0 + 5055 WT0 3354 TIP3 H1 HT 0.417000 1.0080 0 + 5056 WT0 3354 TIP3 H2 HT 0.417000 1.0080 0 + 5057 WT0 3355 TIP3 OH2 OT -0.834000 15.9994 0 + 5058 WT0 3355 TIP3 H1 HT 0.417000 1.0080 0 + 5059 WT0 3355 TIP3 H2 HT 0.417000 1.0080 0 + 5060 WT0 3361 TIP3 OH2 OT -0.834000 15.9994 0 + 5061 WT0 3361 TIP3 H1 HT 0.417000 1.0080 0 + 5062 WT0 3361 TIP3 H2 HT 0.417000 1.0080 0 + 5063 WT0 3362 TIP3 OH2 OT -0.834000 15.9994 0 + 5064 WT0 3362 TIP3 H1 HT 0.417000 1.0080 0 + 5065 WT0 3362 TIP3 H2 HT 0.417000 1.0080 0 + 5066 WT0 3363 TIP3 OH2 OT -0.834000 15.9994 0 + 5067 WT0 3363 TIP3 H1 HT 0.417000 1.0080 0 + 5068 WT0 3363 TIP3 H2 HT 0.417000 1.0080 0 + 5069 WT0 3364 TIP3 OH2 OT -0.834000 15.9994 0 + 5070 WT0 3364 TIP3 H1 HT 0.417000 1.0080 0 + 5071 WT0 3364 TIP3 H2 HT 0.417000 1.0080 0 + 5072 WT0 3366 TIP3 OH2 OT -0.834000 15.9994 0 + 5073 WT0 3366 TIP3 H1 HT 0.417000 1.0080 0 + 5074 WT0 3366 TIP3 H2 HT 0.417000 1.0080 0 + 5075 WT0 3369 TIP3 OH2 OT -0.834000 15.9994 0 + 5076 WT0 3369 TIP3 H1 HT 0.417000 1.0080 0 + 5077 WT0 3369 TIP3 H2 HT 0.417000 1.0080 0 + 5078 WT0 3370 TIP3 OH2 OT -0.834000 15.9994 0 + 5079 WT0 3370 TIP3 H1 HT 0.417000 1.0080 0 + 5080 WT0 3370 TIP3 H2 HT 0.417000 1.0080 0 + 5081 WT0 3371 TIP3 OH2 OT -0.834000 15.9994 0 + 5082 WT0 3371 TIP3 H1 HT 0.417000 1.0080 0 + 5083 WT0 3371 TIP3 H2 HT 0.417000 1.0080 0 + 5084 WT0 3372 TIP3 OH2 OT -0.834000 15.9994 0 + 5085 WT0 3372 TIP3 H1 HT 0.417000 1.0080 0 + 5086 WT0 3372 TIP3 H2 HT 0.417000 1.0080 0 + 5087 WT0 3373 TIP3 OH2 OT -0.834000 15.9994 0 + 5088 WT0 3373 TIP3 H1 HT 0.417000 1.0080 0 + 5089 WT0 3373 TIP3 H2 HT 0.417000 1.0080 0 + 5090 WT0 3375 TIP3 OH2 OT -0.834000 15.9994 0 + 5091 WT0 3375 TIP3 H1 HT 0.417000 1.0080 0 + 5092 WT0 3375 TIP3 H2 HT 0.417000 1.0080 0 + 5093 WT0 3378 TIP3 OH2 OT -0.834000 15.9994 0 + 5094 WT0 3378 TIP3 H1 HT 0.417000 1.0080 0 + 5095 WT0 3378 TIP3 H2 HT 0.417000 1.0080 0 + 5096 WT0 3381 TIP3 OH2 OT -0.834000 15.9994 0 + 5097 WT0 3381 TIP3 H1 HT 0.417000 1.0080 0 + 5098 WT0 3381 TIP3 H2 HT 0.417000 1.0080 0 + 5099 WT0 3382 TIP3 OH2 OT -0.834000 15.9994 0 + 5100 WT0 3382 TIP3 H1 HT 0.417000 1.0080 0 + 5101 WT0 3382 TIP3 H2 HT 0.417000 1.0080 0 + 5102 WT0 3386 TIP3 OH2 OT -0.834000 15.9994 0 + 5103 WT0 3386 TIP3 H1 HT 0.417000 1.0080 0 + 5104 WT0 3386 TIP3 H2 HT 0.417000 1.0080 0 + 5105 WT0 3387 TIP3 OH2 OT -0.834000 15.9994 0 + 5106 WT0 3387 TIP3 H1 HT 0.417000 1.0080 0 + 5107 WT0 3387 TIP3 H2 HT 0.417000 1.0080 0 + 5108 WT0 3388 TIP3 OH2 OT -0.834000 15.9994 0 + 5109 WT0 3388 TIP3 H1 HT 0.417000 1.0080 0 + 5110 WT0 3388 TIP3 H2 HT 0.417000 1.0080 0 + 5111 WT0 3390 TIP3 OH2 OT -0.834000 15.9994 0 + 5112 WT0 3390 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5135 WT0 3406 TIP3 OH2 OT -0.834000 15.9994 0 + 5136 WT0 3406 TIP3 H1 HT 0.417000 1.0080 0 + 5137 WT0 3406 TIP3 H2 HT 0.417000 1.0080 0 + 5138 WT0 3407 TIP3 OH2 OT -0.834000 15.9994 0 + 5139 WT0 3407 TIP3 H1 HT 0.417000 1.0080 0 + 5140 WT0 3407 TIP3 H2 HT 0.417000 1.0080 0 + 5141 WT0 3408 TIP3 OH2 OT -0.834000 15.9994 0 + 5142 WT0 3408 TIP3 H1 HT 0.417000 1.0080 0 + 5143 WT0 3408 TIP3 H2 HT 0.417000 1.0080 0 + 5144 WT0 3409 TIP3 OH2 OT -0.834000 15.9994 0 + 5145 WT0 3409 TIP3 H1 HT 0.417000 1.0080 0 + 5146 WT0 3409 TIP3 H2 HT 0.417000 1.0080 0 + 5147 WT0 3413 TIP3 OH2 OT -0.834000 15.9994 0 + 5148 WT0 3413 TIP3 H1 HT 0.417000 1.0080 0 + 5149 WT0 3413 TIP3 H2 HT 0.417000 1.0080 0 + 5150 WT0 3418 TIP3 OH2 OT -0.834000 15.9994 0 + 5151 WT0 3418 TIP3 H1 HT 0.417000 1.0080 0 + 5152 WT0 3418 TIP3 H2 HT 0.417000 1.0080 0 + 5153 WT0 3419 TIP3 OH2 OT -0.834000 15.9994 0 + 5154 WT0 3419 TIP3 H1 HT 0.417000 1.0080 0 + 5155 WT0 3419 TIP3 H2 HT 0.417000 1.0080 0 + 5156 WT0 3422 TIP3 OH2 OT -0.834000 15.9994 0 + 5157 WT0 3422 TIP3 H1 HT 0.417000 1.0080 0 + 5158 WT0 3422 TIP3 H2 HT 0.417000 1.0080 0 + 5159 WT0 3424 TIP3 OH2 OT -0.834000 15.9994 0 + 5160 WT0 3424 TIP3 H1 HT 0.417000 1.0080 0 + 5161 WT0 3424 TIP3 H2 HT 0.417000 1.0080 0 + 5162 WT0 3426 TIP3 OH2 OT -0.834000 15.9994 0 + 5163 WT0 3426 TIP3 H1 HT 0.417000 1.0080 0 + 5164 WT0 3426 TIP3 H2 HT 0.417000 1.0080 0 + 5165 WT0 3427 TIP3 OH2 OT -0.834000 15.9994 0 + 5166 WT0 3427 TIP3 H1 HT 0.417000 1.0080 0 + 5167 WT0 3427 TIP3 H2 HT 0.417000 1.0080 0 + 5168 WT0 3428 TIP3 OH2 OT -0.834000 15.9994 0 + 5169 WT0 3428 TIP3 H1 HT 0.417000 1.0080 0 + 5170 WT0 3428 TIP3 H2 HT 0.417000 1.0080 0 + 5171 WT0 3429 TIP3 OH2 OT -0.834000 15.9994 0 + 5172 WT0 3429 TIP3 H1 HT 0.417000 1.0080 0 + 5173 WT0 3429 TIP3 H2 HT 0.417000 1.0080 0 + 5174 WT0 3430 TIP3 OH2 OT -0.834000 15.9994 0 + 5175 WT0 3430 TIP3 H1 HT 0.417000 1.0080 0 + 5176 WT0 3430 TIP3 H2 HT 0.417000 1.0080 0 + 5177 WT0 3434 TIP3 OH2 OT -0.834000 15.9994 0 + 5178 WT0 3434 TIP3 H1 HT 0.417000 1.0080 0 + 5179 WT0 3434 TIP3 H2 HT 0.417000 1.0080 0 + 5180 WT0 3437 TIP3 OH2 OT -0.834000 15.9994 0 + 5181 WT0 3437 TIP3 H1 HT 0.417000 1.0080 0 + 5182 WT0 3437 TIP3 H2 HT 0.417000 1.0080 0 + 5183 WT0 3440 TIP3 OH2 OT -0.834000 15.9994 0 + 5184 WT0 3440 TIP3 H1 HT 0.417000 1.0080 0 + 5185 WT0 3440 TIP3 H2 HT 0.417000 1.0080 0 + 5186 WT0 3442 TIP3 OH2 OT -0.834000 15.9994 0 + 5187 WT0 3442 TIP3 H1 HT 0.417000 1.0080 0 + 5188 WT0 3442 TIP3 H2 HT 0.417000 1.0080 0 + 5189 WT0 3445 TIP3 OH2 OT -0.834000 15.9994 0 + 5190 WT0 3445 TIP3 H1 HT 0.417000 1.0080 0 + 5191 WT0 3445 TIP3 H2 HT 0.417000 1.0080 0 + 5192 WT0 3447 TIP3 OH2 OT -0.834000 15.9994 0 + 5193 WT0 3447 TIP3 H1 HT 0.417000 1.0080 0 + 5194 WT0 3447 TIP3 H2 HT 0.417000 1.0080 0 + 5195 WT0 3448 TIP3 OH2 OT -0.834000 15.9994 0 + 5196 WT0 3448 TIP3 H1 HT 0.417000 1.0080 0 + 5197 WT0 3448 TIP3 H2 HT 0.417000 1.0080 0 + 5198 WT0 3450 TIP3 OH2 OT -0.834000 15.9994 0 + 5199 WT0 3450 TIP3 H1 HT 0.417000 1.0080 0 + 5200 WT0 3450 TIP3 H2 HT 0.417000 1.0080 0 + 5201 WT0 3453 TIP3 OH2 OT -0.834000 15.9994 0 + 5202 WT0 3453 TIP3 H1 HT 0.417000 1.0080 0 + 5203 WT0 3453 TIP3 H2 HT 0.417000 1.0080 0 + 5204 WT0 3455 TIP3 OH2 OT -0.834000 15.9994 0 + 5205 WT0 3455 TIP3 H1 HT 0.417000 1.0080 0 + 5206 WT0 3455 TIP3 H2 HT 0.417000 1.0080 0 + 5207 WT0 3459 TIP3 OH2 OT -0.834000 15.9994 0 + 5208 WT0 3459 TIP3 H1 HT 0.417000 1.0080 0 + 5209 WT0 3459 TIP3 H2 HT 0.417000 1.0080 0 + 5210 WT0 3462 TIP3 OH2 OT -0.834000 15.9994 0 + 5211 WT0 3462 TIP3 H1 HT 0.417000 1.0080 0 + 5212 WT0 3462 TIP3 H2 HT 0.417000 1.0080 0 + 5213 WT0 3467 TIP3 OH2 OT -0.834000 15.9994 0 + 5214 WT0 3467 TIP3 H1 HT 0.417000 1.0080 0 + 5215 WT0 3467 TIP3 H2 HT 0.417000 1.0080 0 + 5216 WT0 3470 TIP3 OH2 OT -0.834000 15.9994 0 + 5217 WT0 3470 TIP3 H1 HT 0.417000 1.0080 0 + 5218 WT0 3470 TIP3 H2 HT 0.417000 1.0080 0 + 5219 WT0 3473 TIP3 OH2 OT -0.834000 15.9994 0 + 5220 WT0 3473 TIP3 H1 HT 0.417000 1.0080 0 + 5221 WT0 3473 TIP3 H2 HT 0.417000 1.0080 0 + 5222 WT0 3474 TIP3 OH2 OT -0.834000 15.9994 0 + 5223 WT0 3474 TIP3 H1 HT 0.417000 1.0080 0 + 5224 WT0 3474 TIP3 H2 HT 0.417000 1.0080 0 + 5225 WT0 3476 TIP3 OH2 OT -0.834000 15.9994 0 + 5226 WT0 3476 TIP3 H1 HT 0.417000 1.0080 0 + 5227 WT0 3476 TIP3 H2 HT 0.417000 1.0080 0 + 5228 WT0 3484 TIP3 OH2 OT -0.834000 15.9994 0 + 5229 WT0 3484 TIP3 H1 HT 0.417000 1.0080 0 + 5230 WT0 3484 TIP3 H2 HT 0.417000 1.0080 0 + 5231 WT0 3493 TIP3 OH2 OT -0.834000 15.9994 0 + 5232 WT0 3493 TIP3 H1 HT 0.417000 1.0080 0 + 5233 WT0 3493 TIP3 H2 HT 0.417000 1.0080 0 + 5234 WT0 3496 TIP3 OH2 OT -0.834000 15.9994 0 + 5235 WT0 3496 TIP3 H1 HT 0.417000 1.0080 0 + 5236 WT0 3496 TIP3 H2 HT 0.417000 1.0080 0 + 5237 WT0 3497 TIP3 OH2 OT -0.834000 15.9994 0 + 5238 WT0 3497 TIP3 H1 HT 0.417000 1.0080 0 + 5239 WT0 3497 TIP3 H2 HT 0.417000 1.0080 0 + 5240 WT0 3504 TIP3 OH2 OT -0.834000 15.9994 0 + 5241 WT0 3504 TIP3 H1 HT 0.417000 1.0080 0 + 5242 WT0 3504 TIP3 H2 HT 0.417000 1.0080 0 + 5243 WT0 3511 TIP3 OH2 OT -0.834000 15.9994 0 + 5244 WT0 3511 TIP3 H1 HT 0.417000 1.0080 0 + 5245 WT0 3511 TIP3 H2 HT 0.417000 1.0080 0 + 5246 WT0 3514 TIP3 OH2 OT -0.834000 15.9994 0 + 5247 WT0 3514 TIP3 H1 HT 0.417000 1.0080 0 + 5248 WT0 3514 TIP3 H2 HT 0.417000 1.0080 0 + 5249 WT0 3517 TIP3 OH2 OT -0.834000 15.9994 0 + 5250 WT0 3517 TIP3 H1 HT 0.417000 1.0080 0 + 5251 WT0 3517 TIP3 H2 HT 0.417000 1.0080 0 + 5252 WT0 3521 TIP3 OH2 OT -0.834000 15.9994 0 + 5253 WT0 3521 TIP3 H1 HT 0.417000 1.0080 0 + 5254 WT0 3521 TIP3 H2 HT 0.417000 1.0080 0 + 5255 WT0 3525 TIP3 OH2 OT -0.834000 15.9994 0 + 5256 WT0 3525 TIP3 H1 HT 0.417000 1.0080 0 + 5257 WT0 3525 TIP3 H2 HT 0.417000 1.0080 0 + 5258 WT0 3526 TIP3 OH2 OT -0.834000 15.9994 0 + 5259 WT0 3526 TIP3 H1 HT 0.417000 1.0080 0 + 5260 WT0 3526 TIP3 H2 HT 0.417000 1.0080 0 + 5261 WT0 3527 TIP3 OH2 OT -0.834000 15.9994 0 + 5262 WT0 3527 TIP3 H1 HT 0.417000 1.0080 0 + 5263 WT0 3527 TIP3 H2 HT 0.417000 1.0080 0 + 5264 WT0 3533 TIP3 OH2 OT -0.834000 15.9994 0 + 5265 WT0 3533 TIP3 H1 HT 0.417000 1.0080 0 + 5266 WT0 3533 TIP3 H2 HT 0.417000 1.0080 0 + 5267 WT0 3534 TIP3 OH2 OT -0.834000 15.9994 0 + 5268 WT0 3534 TIP3 H1 HT 0.417000 1.0080 0 + 5269 WT0 3534 TIP3 H2 HT 0.417000 1.0080 0 + 5270 WT0 3537 TIP3 OH2 OT -0.834000 15.9994 0 + 5271 WT0 3537 TIP3 H1 HT 0.417000 1.0080 0 + 5272 WT0 3537 TIP3 H2 HT 0.417000 1.0080 0 + 5273 WT0 3544 TIP3 OH2 OT -0.834000 15.9994 0 + 5274 WT0 3544 TIP3 H1 HT 0.417000 1.0080 0 + 5275 WT0 3544 TIP3 H2 HT 0.417000 1.0080 0 + 5276 WT0 3545 TIP3 OH2 OT -0.834000 15.9994 0 + 5277 WT0 3545 TIP3 H1 HT 0.417000 1.0080 0 + 5278 WT0 3545 TIP3 H2 HT 0.417000 1.0080 0 + 5279 WT0 3548 TIP3 OH2 OT -0.834000 15.9994 0 + 5280 WT0 3548 TIP3 H1 HT 0.417000 1.0080 0 + 5281 WT0 3548 TIP3 H2 HT 0.417000 1.0080 0 + 5282 WT0 3554 TIP3 OH2 OT -0.834000 15.9994 0 + 5283 WT0 3554 TIP3 H1 HT 0.417000 1.0080 0 + 5284 WT0 3554 TIP3 H2 HT 0.417000 1.0080 0 + 5285 WT0 3555 TIP3 OH2 OT -0.834000 15.9994 0 + 5286 WT0 3555 TIP3 H1 HT 0.417000 1.0080 0 + 5287 WT0 3555 TIP3 H2 HT 0.417000 1.0080 0 + 5288 WT0 3556 TIP3 OH2 OT -0.834000 15.9994 0 + 5289 WT0 3556 TIP3 H1 HT 0.417000 1.0080 0 + 5290 WT0 3556 TIP3 H2 HT 0.417000 1.0080 0 + 5291 WT0 3557 TIP3 OH2 OT -0.834000 15.9994 0 + 5292 WT0 3557 TIP3 H1 HT 0.417000 1.0080 0 + 5293 WT0 3557 TIP3 H2 HT 0.417000 1.0080 0 + 5294 WT0 3558 TIP3 OH2 OT -0.834000 15.9994 0 + 5295 WT0 3558 TIP3 H1 HT 0.417000 1.0080 0 + 5296 WT0 3558 TIP3 H2 HT 0.417000 1.0080 0 + 5297 WT0 3560 TIP3 OH2 OT -0.834000 15.9994 0 + 5298 WT0 3560 TIP3 H1 HT 0.417000 1.0080 0 + 5299 WT0 3560 TIP3 H2 HT 0.417000 1.0080 0 + 5300 WT0 3561 TIP3 OH2 OT -0.834000 15.9994 0 + 5301 WT0 3561 TIP3 H1 HT 0.417000 1.0080 0 + 5302 WT0 3561 TIP3 H2 HT 0.417000 1.0080 0 + 5303 WT0 3562 TIP3 OH2 OT -0.834000 15.9994 0 + 5304 WT0 3562 TIP3 H1 HT 0.417000 1.0080 0 + 5305 WT0 3562 TIP3 H2 HT 0.417000 1.0080 0 + 5306 WT0 3563 TIP3 OH2 OT -0.834000 15.9994 0 + 5307 WT0 3563 TIP3 H1 HT 0.417000 1.0080 0 + 5308 WT0 3563 TIP3 H2 HT 0.417000 1.0080 0 + 5309 WT0 3564 TIP3 OH2 OT -0.834000 15.9994 0 + 5310 WT0 3564 TIP3 H1 HT 0.417000 1.0080 0 + 5311 WT0 3564 TIP3 H2 HT 0.417000 1.0080 0 + 5312 WT0 3569 TIP3 OH2 OT -0.834000 15.9994 0 + 5313 WT0 3569 TIP3 H1 HT 0.417000 1.0080 0 + 5314 WT0 3569 TIP3 H2 HT 0.417000 1.0080 0 + 5315 WT0 3573 TIP3 OH2 OT -0.834000 15.9994 0 + 5316 WT0 3573 TIP3 H1 HT 0.417000 1.0080 0 + 5317 WT0 3573 TIP3 H2 HT 0.417000 1.0080 0 + 5318 WT0 3575 TIP3 OH2 OT -0.834000 15.9994 0 + 5319 WT0 3575 TIP3 H1 HT 0.417000 1.0080 0 + 5320 WT0 3575 TIP3 H2 HT 0.417000 1.0080 0 + 5321 WT0 3576 TIP3 OH2 OT -0.834000 15.9994 0 + 5322 WT0 3576 TIP3 H1 HT 0.417000 1.0080 0 + 5323 WT0 3576 TIP3 H2 HT 0.417000 1.0080 0 + 5324 WT0 3578 TIP3 OH2 OT -0.834000 15.9994 0 + 5325 WT0 3578 TIP3 H1 HT 0.417000 1.0080 0 + 5326 WT0 3578 TIP3 H2 HT 0.417000 1.0080 0 + 5327 WT0 3579 TIP3 OH2 OT -0.834000 15.9994 0 + 5328 WT0 3579 TIP3 H1 HT 0.417000 1.0080 0 + 5329 WT0 3579 TIP3 H2 HT 0.417000 1.0080 0 + 5330 WT0 3580 TIP3 OH2 OT -0.834000 15.9994 0 + 5331 WT0 3580 TIP3 H1 HT 0.417000 1.0080 0 + 5332 WT0 3580 TIP3 H2 HT 0.417000 1.0080 0 + 5333 WT0 3582 TIP3 OH2 OT -0.834000 15.9994 0 + 5334 WT0 3582 TIP3 H1 HT 0.417000 1.0080 0 + 5335 WT0 3582 TIP3 H2 HT 0.417000 1.0080 0 + 5336 WT0 3583 TIP3 OH2 OT -0.834000 15.9994 0 + 5337 WT0 3583 TIP3 H1 HT 0.417000 1.0080 0 + 5338 WT0 3583 TIP3 H2 HT 0.417000 1.0080 0 + 5339 WT0 3585 TIP3 OH2 OT -0.834000 15.9994 0 + 5340 WT0 3585 TIP3 H1 HT 0.417000 1.0080 0 + 5341 WT0 3585 TIP3 H2 HT 0.417000 1.0080 0 + 5342 WT0 3586 TIP3 OH2 OT -0.834000 15.9994 0 + 5343 WT0 3586 TIP3 H1 HT 0.417000 1.0080 0 + 5344 WT0 3586 TIP3 H2 HT 0.417000 1.0080 0 + 5345 WT0 3587 TIP3 OH2 OT -0.834000 15.9994 0 + 5346 WT0 3587 TIP3 H1 HT 0.417000 1.0080 0 + 5347 WT0 3587 TIP3 H2 HT 0.417000 1.0080 0 + 5348 WT0 3592 TIP3 OH2 OT -0.834000 15.9994 0 + 5349 WT0 3592 TIP3 H1 HT 0.417000 1.0080 0 + 5350 WT0 3592 TIP3 H2 HT 0.417000 1.0080 0 + 5351 WT0 3593 TIP3 OH2 OT -0.834000 15.9994 0 + 5352 WT0 3593 TIP3 H1 HT 0.417000 1.0080 0 + 5353 WT0 3593 TIP3 H2 HT 0.417000 1.0080 0 + 5354 WT0 3595 TIP3 OH2 OT -0.834000 15.9994 0 + 5355 WT0 3595 TIP3 H1 HT 0.417000 1.0080 0 + 5356 WT0 3595 TIP3 H2 HT 0.417000 1.0080 0 + 5357 WT0 3596 TIP3 OH2 OT -0.834000 15.9994 0 + 5358 WT0 3596 TIP3 H1 HT 0.417000 1.0080 0 + 5359 WT0 3596 TIP3 H2 HT 0.417000 1.0080 0 + 5360 WT0 3597 TIP3 OH2 OT -0.834000 15.9994 0 + 5361 WT0 3597 TIP3 H1 HT 0.417000 1.0080 0 + 5362 WT0 3597 TIP3 H2 HT 0.417000 1.0080 0 + 5363 WT0 3598 TIP3 OH2 OT -0.834000 15.9994 0 + 5364 WT0 3598 TIP3 H1 HT 0.417000 1.0080 0 + 5365 WT0 3598 TIP3 H2 HT 0.417000 1.0080 0 + 5366 WT0 3599 TIP3 OH2 OT -0.834000 15.9994 0 + 5367 WT0 3599 TIP3 H1 HT 0.417000 1.0080 0 + 5368 WT0 3599 TIP3 H2 HT 0.417000 1.0080 0 + 5369 WT0 3602 TIP3 OH2 OT -0.834000 15.9994 0 + 5370 WT0 3602 TIP3 H1 HT 0.417000 1.0080 0 + 5371 WT0 3602 TIP3 H2 HT 0.417000 1.0080 0 + 5372 WT0 3603 TIP3 OH2 OT -0.834000 15.9994 0 + 5373 WT0 3603 TIP3 H1 HT 0.417000 1.0080 0 + 5374 WT0 3603 TIP3 H2 HT 0.417000 1.0080 0 + 5375 WT0 3604 TIP3 OH2 OT -0.834000 15.9994 0 + 5376 WT0 3604 TIP3 H1 HT 0.417000 1.0080 0 + 5377 WT0 3604 TIP3 H2 HT 0.417000 1.0080 0 + 5378 WT0 3607 TIP3 OH2 OT -0.834000 15.9994 0 + 5379 WT0 3607 TIP3 H1 HT 0.417000 1.0080 0 + 5380 WT0 3607 TIP3 H2 HT 0.417000 1.0080 0 + 5381 WT0 3612 TIP3 OH2 OT -0.834000 15.9994 0 + 5382 WT0 3612 TIP3 H1 HT 0.417000 1.0080 0 + 5383 WT0 3612 TIP3 H2 HT 0.417000 1.0080 0 + 5384 WT0 3616 TIP3 OH2 OT -0.834000 15.9994 0 + 5385 WT0 3616 TIP3 H1 HT 0.417000 1.0080 0 + 5386 WT0 3616 TIP3 H2 HT 0.417000 1.0080 0 + 5387 WT0 3618 TIP3 OH2 OT -0.834000 15.9994 0 + 5388 WT0 3618 TIP3 H1 HT 0.417000 1.0080 0 + 5389 WT0 3618 TIP3 H2 HT 0.417000 1.0080 0 + 5390 WT0 3619 TIP3 OH2 OT -0.834000 15.9994 0 + 5391 WT0 3619 TIP3 H1 HT 0.417000 1.0080 0 + 5392 WT0 3619 TIP3 H2 HT 0.417000 1.0080 0 + 5393 WT0 3620 TIP3 OH2 OT -0.834000 15.9994 0 + 5394 WT0 3620 TIP3 H1 HT 0.417000 1.0080 0 + 5395 WT0 3620 TIP3 H2 HT 0.417000 1.0080 0 + 5396 WT0 3621 TIP3 OH2 OT -0.834000 15.9994 0 + 5397 WT0 3621 TIP3 H1 HT 0.417000 1.0080 0 + 5398 WT0 3621 TIP3 H2 HT 0.417000 1.0080 0 + 5399 WT0 3622 TIP3 OH2 OT -0.834000 15.9994 0 + 5400 WT0 3622 TIP3 H1 HT 0.417000 1.0080 0 + 5401 WT0 3622 TIP3 H2 HT 0.417000 1.0080 0 + 5402 WT0 3623 TIP3 OH2 OT -0.834000 15.9994 0 + 5403 WT0 3623 TIP3 H1 HT 0.417000 1.0080 0 + 5404 WT0 3623 TIP3 H2 HT 0.417000 1.0080 0 + 5405 WT0 3624 TIP3 OH2 OT -0.834000 15.9994 0 + 5406 WT0 3624 TIP3 H1 HT 0.417000 1.0080 0 + 5407 WT0 3624 TIP3 H2 HT 0.417000 1.0080 0 + 5408 WT0 3626 TIP3 OH2 OT -0.834000 15.9994 0 + 5409 WT0 3626 TIP3 H1 HT 0.417000 1.0080 0 + 5410 WT0 3626 TIP3 H2 HT 0.417000 1.0080 0 + 5411 WT0 3627 TIP3 OH2 OT -0.834000 15.9994 0 + 5412 WT0 3627 TIP3 H1 HT 0.417000 1.0080 0 + 5413 WT0 3627 TIP3 H2 HT 0.417000 1.0080 0 + 5414 WT0 3628 TIP3 OH2 OT -0.834000 15.9994 0 + 5415 WT0 3628 TIP3 H1 HT 0.417000 1.0080 0 + 5416 WT0 3628 TIP3 H2 HT 0.417000 1.0080 0 + 5417 WT0 3629 TIP3 OH2 OT -0.834000 15.9994 0 + 5418 WT0 3629 TIP3 H1 HT 0.417000 1.0080 0 + 5419 WT0 3629 TIP3 H2 HT 0.417000 1.0080 0 + 5420 WT0 3633 TIP3 OH2 OT -0.834000 15.9994 0 + 5421 WT0 3633 TIP3 H1 HT 0.417000 1.0080 0 + 5422 WT0 3633 TIP3 H2 HT 0.417000 1.0080 0 + 5423 WT0 3636 TIP3 OH2 OT -0.834000 15.9994 0 + 5424 WT0 3636 TIP3 H1 HT 0.417000 1.0080 0 + 5425 WT0 3636 TIP3 H2 HT 0.417000 1.0080 0 + 5426 WT0 3638 TIP3 OH2 OT -0.834000 15.9994 0 + 5427 WT0 3638 TIP3 H1 HT 0.417000 1.0080 0 + 5428 WT0 3638 TIP3 H2 HT 0.417000 1.0080 0 + 5429 WT0 3641 TIP3 OH2 OT -0.834000 15.9994 0 + 5430 WT0 3641 TIP3 H1 HT 0.417000 1.0080 0 + 5431 WT0 3641 TIP3 H2 HT 0.417000 1.0080 0 + 5432 WT0 3642 TIP3 OH2 OT -0.834000 15.9994 0 + 5433 WT0 3642 TIP3 H1 HT 0.417000 1.0080 0 + 5434 WT0 3642 TIP3 H2 HT 0.417000 1.0080 0 + 5435 WT0 3643 TIP3 OH2 OT -0.834000 15.9994 0 + 5436 WT0 3643 TIP3 H1 HT 0.417000 1.0080 0 + 5437 WT0 3643 TIP3 H2 HT 0.417000 1.0080 0 + 5438 WT0 3644 TIP3 OH2 OT -0.834000 15.9994 0 + 5439 WT0 3644 TIP3 H1 HT 0.417000 1.0080 0 + 5440 WT0 3644 TIP3 H2 HT 0.417000 1.0080 0 + 5441 WT0 3645 TIP3 OH2 OT -0.834000 15.9994 0 + 5442 WT0 3645 TIP3 H1 HT 0.417000 1.0080 0 + 5443 WT0 3645 TIP3 H2 HT 0.417000 1.0080 0 + 5444 WT0 3646 TIP3 OH2 OT -0.834000 15.9994 0 + 5445 WT0 3646 TIP3 H1 HT 0.417000 1.0080 0 + 5446 WT0 3646 TIP3 H2 HT 0.417000 1.0080 0 + 5447 WT0 3647 TIP3 OH2 OT -0.834000 15.9994 0 + 5448 WT0 3647 TIP3 H1 HT 0.417000 1.0080 0 + 5449 WT0 3647 TIP3 H2 HT 0.417000 1.0080 0 + 5450 WT0 3650 TIP3 OH2 OT -0.834000 15.9994 0 + 5451 WT0 3650 TIP3 H1 HT 0.417000 1.0080 0 + 5452 WT0 3650 TIP3 H2 HT 0.417000 1.0080 0 + 5453 WT0 3651 TIP3 OH2 OT -0.834000 15.9994 0 + 5454 WT0 3651 TIP3 H1 HT 0.417000 1.0080 0 + 5455 WT0 3651 TIP3 H2 HT 0.417000 1.0080 0 + 5456 WT0 3653 TIP3 OH2 OT -0.834000 15.9994 0 + 5457 WT0 3653 TIP3 H1 HT 0.417000 1.0080 0 + 5458 WT0 3653 TIP3 H2 HT 0.417000 1.0080 0 + 5459 WT0 3657 TIP3 OH2 OT -0.834000 15.9994 0 + 5460 WT0 3657 TIP3 H1 HT 0.417000 1.0080 0 + 5461 WT0 3657 TIP3 H2 HT 0.417000 1.0080 0 + 5462 WT0 3658 TIP3 OH2 OT -0.834000 15.9994 0 + 5463 WT0 3658 TIP3 H1 HT 0.417000 1.0080 0 + 5464 WT0 3658 TIP3 H2 HT 0.417000 1.0080 0 + 5465 WT0 3659 TIP3 OH2 OT -0.834000 15.9994 0 + 5466 WT0 3659 TIP3 H1 HT 0.417000 1.0080 0 + 5467 WT0 3659 TIP3 H2 HT 0.417000 1.0080 0 + 5468 WT0 3660 TIP3 OH2 OT -0.834000 15.9994 0 + 5469 WT0 3660 TIP3 H1 HT 0.417000 1.0080 0 + 5470 WT0 3660 TIP3 H2 HT 0.417000 1.0080 0 + 5471 WT0 3661 TIP3 OH2 OT -0.834000 15.9994 0 + 5472 WT0 3661 TIP3 H1 HT 0.417000 1.0080 0 + 5473 WT0 3661 TIP3 H2 HT 0.417000 1.0080 0 + 5474 WT0 3662 TIP3 OH2 OT -0.834000 15.9994 0 + 5475 WT0 3662 TIP3 H1 HT 0.417000 1.0080 0 + 5476 WT0 3662 TIP3 H2 HT 0.417000 1.0080 0 + 5477 WT0 3663 TIP3 OH2 OT -0.834000 15.9994 0 + 5478 WT0 3663 TIP3 H1 HT 0.417000 1.0080 0 + 5479 WT0 3663 TIP3 H2 HT 0.417000 1.0080 0 + 5480 WT0 3665 TIP3 OH2 OT -0.834000 15.9994 0 + 5481 WT0 3665 TIP3 H1 HT 0.417000 1.0080 0 + 5482 WT0 3665 TIP3 H2 HT 0.417000 1.0080 0 + 5483 WT0 3666 TIP3 OH2 OT -0.834000 15.9994 0 + 5484 WT0 3666 TIP3 H1 HT 0.417000 1.0080 0 + 5485 WT0 3666 TIP3 H2 HT 0.417000 1.0080 0 + 5486 WT0 3667 TIP3 OH2 OT -0.834000 15.9994 0 + 5487 WT0 3667 TIP3 H1 HT 0.417000 1.0080 0 + 5488 WT0 3667 TIP3 H2 HT 0.417000 1.0080 0 + 5489 WT0 3668 TIP3 OH2 OT -0.834000 15.9994 0 + 5490 WT0 3668 TIP3 H1 HT 0.417000 1.0080 0 + 5491 WT0 3668 TIP3 H2 HT 0.417000 1.0080 0 + 5492 WT0 3671 TIP3 OH2 OT -0.834000 15.9994 0 + 5493 WT0 3671 TIP3 H1 HT 0.417000 1.0080 0 + 5494 WT0 3671 TIP3 H2 HT 0.417000 1.0080 0 + 5495 WT0 3674 TIP3 OH2 OT -0.834000 15.9994 0 + 5496 WT0 3674 TIP3 H1 HT 0.417000 1.0080 0 + 5497 WT0 3674 TIP3 H2 HT 0.417000 1.0080 0 + 5498 WT0 3677 TIP3 OH2 OT -0.834000 15.9994 0 + 5499 WT0 3677 TIP3 H1 HT 0.417000 1.0080 0 + 5500 WT0 3677 TIP3 H2 HT 0.417000 1.0080 0 + 5501 WT0 3678 TIP3 OH2 OT -0.834000 15.9994 0 + 5502 WT0 3678 TIP3 H1 HT 0.417000 1.0080 0 + 5503 WT0 3678 TIP3 H2 HT 0.417000 1.0080 0 + 5504 WT0 3680 TIP3 OH2 OT -0.834000 15.9994 0 + 5505 WT0 3680 TIP3 H1 HT 0.417000 1.0080 0 + 5506 WT0 3680 TIP3 H2 HT 0.417000 1.0080 0 + 5507 WT0 3681 TIP3 OH2 OT -0.834000 15.9994 0 + 5508 WT0 3681 TIP3 H1 HT 0.417000 1.0080 0 + 5509 WT0 3681 TIP3 H2 HT 0.417000 1.0080 0 + 5510 WT0 3683 TIP3 OH2 OT -0.834000 15.9994 0 + 5511 WT0 3683 TIP3 H1 HT 0.417000 1.0080 0 + 5512 WT0 3683 TIP3 H2 HT 0.417000 1.0080 0 + 5513 WT0 3686 TIP3 OH2 OT -0.834000 15.9994 0 + 5514 WT0 3686 TIP3 H1 HT 0.417000 1.0080 0 + 5515 WT0 3686 TIP3 H2 HT 0.417000 1.0080 0 + 5516 WT0 3687 TIP3 OH2 OT -0.834000 15.9994 0 + 5517 WT0 3687 TIP3 H1 HT 0.417000 1.0080 0 + 5518 WT0 3687 TIP3 H2 HT 0.417000 1.0080 0 + 5519 WT0 3689 TIP3 OH2 OT -0.834000 15.9994 0 + 5520 WT0 3689 TIP3 H1 HT 0.417000 1.0080 0 + 5521 WT0 3689 TIP3 H2 HT 0.417000 1.0080 0 + 5522 WT0 3690 TIP3 OH2 OT -0.834000 15.9994 0 + 5523 WT0 3690 TIP3 H1 HT 0.417000 1.0080 0 + 5524 WT0 3690 TIP3 H2 HT 0.417000 1.0080 0 + 5525 WT0 3693 TIP3 OH2 OT -0.834000 15.9994 0 + 5526 WT0 3693 TIP3 H1 HT 0.417000 1.0080 0 + 5527 WT0 3693 TIP3 H2 HT 0.417000 1.0080 0 + 5528 WT0 3695 TIP3 OH2 OT -0.834000 15.9994 0 + 5529 WT0 3695 TIP3 H1 HT 0.417000 1.0080 0 + 5530 WT0 3695 TIP3 H2 HT 0.417000 1.0080 0 + 5531 WT0 3696 TIP3 OH2 OT -0.834000 15.9994 0 + 5532 WT0 3696 TIP3 H1 HT 0.417000 1.0080 0 + 5533 WT0 3696 TIP3 H2 HT 0.417000 1.0080 0 + 5534 WT0 3697 TIP3 OH2 OT -0.834000 15.9994 0 + 5535 WT0 3697 TIP3 H1 HT 0.417000 1.0080 0 + 5536 WT0 3697 TIP3 H2 HT 0.417000 1.0080 0 + 5537 WT0 3698 TIP3 OH2 OT -0.834000 15.9994 0 + 5538 WT0 3698 TIP3 H1 HT 0.417000 1.0080 0 + 5539 WT0 3698 TIP3 H2 HT 0.417000 1.0080 0 + 5540 WT0 3700 TIP3 OH2 OT -0.834000 15.9994 0 + 5541 WT0 3700 TIP3 H1 HT 0.417000 1.0080 0 + 5542 WT0 3700 TIP3 H2 HT 0.417000 1.0080 0 + 5543 WT0 3701 TIP3 OH2 OT -0.834000 15.9994 0 + 5544 WT0 3701 TIP3 H1 HT 0.417000 1.0080 0 + 5545 WT0 3701 TIP3 H2 HT 0.417000 1.0080 0 + 5546 WT0 3702 TIP3 OH2 OT -0.834000 15.9994 0 + 5547 WT0 3702 TIP3 H1 HT 0.417000 1.0080 0 + 5548 WT0 3702 TIP3 H2 HT 0.417000 1.0080 0 + 5549 WT0 3704 TIP3 OH2 OT -0.834000 15.9994 0 + 5550 WT0 3704 TIP3 H1 HT 0.417000 1.0080 0 + 5551 WT0 3704 TIP3 H2 HT 0.417000 1.0080 0 + 5552 WT0 3705 TIP3 OH2 OT -0.834000 15.9994 0 + 5553 WT0 3705 TIP3 H1 HT 0.417000 1.0080 0 + 5554 WT0 3705 TIP3 H2 HT 0.417000 1.0080 0 + 5555 WT0 3706 TIP3 OH2 OT -0.834000 15.9994 0 + 5556 WT0 3706 TIP3 H1 HT 0.417000 1.0080 0 + 5557 WT0 3706 TIP3 H2 HT 0.417000 1.0080 0 + 5558 WT0 3709 TIP3 OH2 OT -0.834000 15.9994 0 + 5559 WT0 3709 TIP3 H1 HT 0.417000 1.0080 0 + 5560 WT0 3709 TIP3 H2 HT 0.417000 1.0080 0 + 5561 WT0 3710 TIP3 OH2 OT -0.834000 15.9994 0 + 5562 WT0 3710 TIP3 H1 HT 0.417000 1.0080 0 + 5563 WT0 3710 TIP3 H2 HT 0.417000 1.0080 0 + 5564 WT0 3713 TIP3 OH2 OT -0.834000 15.9994 0 + 5565 WT0 3713 TIP3 H1 HT 0.417000 1.0080 0 + 5566 WT0 3713 TIP3 H2 HT 0.417000 1.0080 0 + 5567 WT0 3714 TIP3 OH2 OT -0.834000 15.9994 0 + 5568 WT0 3714 TIP3 H1 HT 0.417000 1.0080 0 + 5569 WT0 3714 TIP3 H2 HT 0.417000 1.0080 0 + 5570 WT0 3716 TIP3 OH2 OT -0.834000 15.9994 0 + 5571 WT0 3716 TIP3 H1 HT 0.417000 1.0080 0 + 5572 WT0 3716 TIP3 H2 HT 0.417000 1.0080 0 + 5573 WT0 3718 TIP3 OH2 OT -0.834000 15.9994 0 + 5574 WT0 3718 TIP3 H1 HT 0.417000 1.0080 0 + 5575 WT0 3718 TIP3 H2 HT 0.417000 1.0080 0 + 5576 WT0 3719 TIP3 OH2 OT -0.834000 15.9994 0 + 5577 WT0 3719 TIP3 H1 HT 0.417000 1.0080 0 + 5578 WT0 3719 TIP3 H2 HT 0.417000 1.0080 0 + 5579 WT0 3720 TIP3 OH2 OT -0.834000 15.9994 0 + 5580 WT0 3720 TIP3 H1 HT 0.417000 1.0080 0 + 5581 WT0 3720 TIP3 H2 HT 0.417000 1.0080 0 + 5582 WT0 3721 TIP3 OH2 OT -0.834000 15.9994 0 + 5583 WT0 3721 TIP3 H1 HT 0.417000 1.0080 0 + 5584 WT0 3721 TIP3 H2 HT 0.417000 1.0080 0 + 5585 WT0 3722 TIP3 OH2 OT -0.834000 15.9994 0 + 5586 WT0 3722 TIP3 H1 HT 0.417000 1.0080 0 + 5587 WT0 3722 TIP3 H2 HT 0.417000 1.0080 0 + 5588 WT0 3723 TIP3 OH2 OT -0.834000 15.9994 0 + 5589 WT0 3723 TIP3 H1 HT 0.417000 1.0080 0 + 5590 WT0 3723 TIP3 H2 HT 0.417000 1.0080 0 + 5591 WT0 3726 TIP3 OH2 OT -0.834000 15.9994 0 + 5592 WT0 3726 TIP3 H1 HT 0.417000 1.0080 0 + 5593 WT0 3726 TIP3 H2 HT 0.417000 1.0080 0 + 5594 WT0 3729 TIP3 OH2 OT -0.834000 15.9994 0 + 5595 WT0 3729 TIP3 H1 HT 0.417000 1.0080 0 + 5596 WT0 3729 TIP3 H2 HT 0.417000 1.0080 0 + 5597 WT0 3730 TIP3 OH2 OT -0.834000 15.9994 0 + 5598 WT0 3730 TIP3 H1 HT 0.417000 1.0080 0 + 5599 WT0 3730 TIP3 H2 HT 0.417000 1.0080 0 + 5600 WT0 3732 TIP3 OH2 OT -0.834000 15.9994 0 + 5601 WT0 3732 TIP3 H1 HT 0.417000 1.0080 0 + 5602 WT0 3732 TIP3 H2 HT 0.417000 1.0080 0 + 5603 WT0 3733 TIP3 OH2 OT -0.834000 15.9994 0 + 5604 WT0 3733 TIP3 H1 HT 0.417000 1.0080 0 + 5605 WT0 3733 TIP3 H2 HT 0.417000 1.0080 0 + 5606 WT0 3734 TIP3 OH2 OT -0.834000 15.9994 0 + 5607 WT0 3734 TIP3 H1 HT 0.417000 1.0080 0 + 5608 WT0 3734 TIP3 H2 HT 0.417000 1.0080 0 + 5609 WT0 3736 TIP3 OH2 OT -0.834000 15.9994 0 + 5610 WT0 3736 TIP3 H1 HT 0.417000 1.0080 0 + 5611 WT0 3736 TIP3 H2 HT 0.417000 1.0080 0 + 5612 WT0 3737 TIP3 OH2 OT -0.834000 15.9994 0 + 5613 WT0 3737 TIP3 H1 HT 0.417000 1.0080 0 + 5614 WT0 3737 TIP3 H2 HT 0.417000 1.0080 0 + 5615 WT0 3740 TIP3 OH2 OT -0.834000 15.9994 0 + 5616 WT0 3740 TIP3 H1 HT 0.417000 1.0080 0 + 5617 WT0 3740 TIP3 H2 HT 0.417000 1.0080 0 + 5618 WT0 3744 TIP3 OH2 OT -0.834000 15.9994 0 + 5619 WT0 3744 TIP3 H1 HT 0.417000 1.0080 0 + 5620 WT0 3744 TIP3 H2 HT 0.417000 1.0080 0 + 5621 WT0 3746 TIP3 OH2 OT -0.834000 15.9994 0 + 5622 WT0 3746 TIP3 H1 HT 0.417000 1.0080 0 + 5623 WT0 3746 TIP3 H2 HT 0.417000 1.0080 0 + 5624 WT0 3750 TIP3 OH2 OT -0.834000 15.9994 0 + 5625 WT0 3750 TIP3 H1 HT 0.417000 1.0080 0 + 5626 WT0 3750 TIP3 H2 HT 0.417000 1.0080 0 + 5627 WT0 3751 TIP3 OH2 OT -0.834000 15.9994 0 + 5628 WT0 3751 TIP3 H1 HT 0.417000 1.0080 0 + 5629 WT0 3751 TIP3 H2 HT 0.417000 1.0080 0 + 5630 WT0 3752 TIP3 OH2 OT -0.834000 15.9994 0 + 5631 WT0 3752 TIP3 H1 HT 0.417000 1.0080 0 + 5632 WT0 3752 TIP3 H2 HT 0.417000 1.0080 0 + 5633 WT0 3754 TIP3 OH2 OT -0.834000 15.9994 0 + 5634 WT0 3754 TIP3 H1 HT 0.417000 1.0080 0 + 5635 WT0 3754 TIP3 H2 HT 0.417000 1.0080 0 + 5636 WT0 3757 TIP3 OH2 OT -0.834000 15.9994 0 + 5637 WT0 3757 TIP3 H1 HT 0.417000 1.0080 0 + 5638 WT0 3757 TIP3 H2 HT 0.417000 1.0080 0 + 5639 WT0 3758 TIP3 OH2 OT -0.834000 15.9994 0 + 5640 WT0 3758 TIP3 H1 HT 0.417000 1.0080 0 + 5641 WT0 3758 TIP3 H2 HT 0.417000 1.0080 0 + 5642 WT0 3762 TIP3 OH2 OT -0.834000 15.9994 0 + 5643 WT0 3762 TIP3 H1 HT 0.417000 1.0080 0 + 5644 WT0 3762 TIP3 H2 HT 0.417000 1.0080 0 + 5645 WT0 3763 TIP3 OH2 OT -0.834000 15.9994 0 + 5646 WT0 3763 TIP3 H1 HT 0.417000 1.0080 0 + 5647 WT0 3763 TIP3 H2 HT 0.417000 1.0080 0 + 5648 WT0 3764 TIP3 OH2 OT -0.834000 15.9994 0 + 5649 WT0 3764 TIP3 H1 HT 0.417000 1.0080 0 + 5650 WT0 3764 TIP3 H2 HT 0.417000 1.0080 0 + 5651 WT0 3767 TIP3 OH2 OT -0.834000 15.9994 0 + 5652 WT0 3767 TIP3 H1 HT 0.417000 1.0080 0 + 5653 WT0 3767 TIP3 H2 HT 0.417000 1.0080 0 + 5654 WT0 3769 TIP3 OH2 OT -0.834000 15.9994 0 + 5655 WT0 3769 TIP3 H1 HT 0.417000 1.0080 0 + 5656 WT0 3769 TIP3 H2 HT 0.417000 1.0080 0 + 5657 WT0 3771 TIP3 OH2 OT -0.834000 15.9994 0 + 5658 WT0 3771 TIP3 H1 HT 0.417000 1.0080 0 + 5659 WT0 3771 TIP3 H2 HT 0.417000 1.0080 0 + 5660 WT0 3772 TIP3 OH2 OT -0.834000 15.9994 0 + 5661 WT0 3772 TIP3 H1 HT 0.417000 1.0080 0 + 5662 WT0 3772 TIP3 H2 HT 0.417000 1.0080 0 + 5663 WT0 3773 TIP3 OH2 OT -0.834000 15.9994 0 + 5664 WT0 3773 TIP3 H1 HT 0.417000 1.0080 0 + 5665 WT0 3773 TIP3 H2 HT 0.417000 1.0080 0 + 5666 WT0 3776 TIP3 OH2 OT -0.834000 15.9994 0 + 5667 WT0 3776 TIP3 H1 HT 0.417000 1.0080 0 + 5668 WT0 3776 TIP3 H2 HT 0.417000 1.0080 0 + 5669 WT0 3778 TIP3 OH2 OT -0.834000 15.9994 0 + 5670 WT0 3778 TIP3 H1 HT 0.417000 1.0080 0 + 5671 WT0 3778 TIP3 H2 HT 0.417000 1.0080 0 + 5672 WT0 3779 TIP3 OH2 OT -0.834000 15.9994 0 + 5673 WT0 3779 TIP3 H1 HT 0.417000 1.0080 0 + 5674 WT0 3779 TIP3 H2 HT 0.417000 1.0080 0 + 5675 WT0 3783 TIP3 OH2 OT -0.834000 15.9994 0 + 5676 WT0 3783 TIP3 H1 HT 0.417000 1.0080 0 + 5677 WT0 3783 TIP3 H2 HT 0.417000 1.0080 0 + 5678 WT0 3785 TIP3 OH2 OT -0.834000 15.9994 0 + 5679 WT0 3785 TIP3 H1 HT 0.417000 1.0080 0 + 5680 WT0 3785 TIP3 H2 HT 0.417000 1.0080 0 + 5681 WT0 3786 TIP3 OH2 OT -0.834000 15.9994 0 + 5682 WT0 3786 TIP3 H1 HT 0.417000 1.0080 0 + 5683 WT0 3786 TIP3 H2 HT 0.417000 1.0080 0 + 5684 WT0 3788 TIP3 OH2 OT -0.834000 15.9994 0 + 5685 WT0 3788 TIP3 H1 HT 0.417000 1.0080 0 + 5686 WT0 3788 TIP3 H2 HT 0.417000 1.0080 0 + 5687 WT0 3789 TIP3 OH2 OT -0.834000 15.9994 0 + 5688 WT0 3789 TIP3 H1 HT 0.417000 1.0080 0 + 5689 WT0 3789 TIP3 H2 HT 0.417000 1.0080 0 + 5690 WT0 3791 TIP3 OH2 OT -0.834000 15.9994 0 + 5691 WT0 3791 TIP3 H1 HT 0.417000 1.0080 0 + 5692 WT0 3791 TIP3 H2 HT 0.417000 1.0080 0 + 5693 WT0 3793 TIP3 OH2 OT -0.834000 15.9994 0 + 5694 WT0 3793 TIP3 H1 HT 0.417000 1.0080 0 + 5695 WT0 3793 TIP3 H2 HT 0.417000 1.0080 0 + 5696 WT0 3796 TIP3 OH2 OT -0.834000 15.9994 0 + 5697 WT0 3796 TIP3 H1 HT 0.417000 1.0080 0 + 5698 WT0 3796 TIP3 H2 HT 0.417000 1.0080 0 + 5699 WT0 3798 TIP3 OH2 OT -0.834000 15.9994 0 + 5700 WT0 3798 TIP3 H1 HT 0.417000 1.0080 0 + 5701 WT0 3798 TIP3 H2 HT 0.417000 1.0080 0 + 5702 WT0 3800 TIP3 OH2 OT -0.834000 15.9994 0 + 5703 WT0 3800 TIP3 H1 HT 0.417000 1.0080 0 + 5704 WT0 3800 TIP3 H2 HT 0.417000 1.0080 0 + 5705 WT0 3801 TIP3 OH2 OT -0.834000 15.9994 0 + 5706 WT0 3801 TIP3 H1 HT 0.417000 1.0080 0 + 5707 WT0 3801 TIP3 H2 HT 0.417000 1.0080 0 + 5708 WT0 3802 TIP3 OH2 OT -0.834000 15.9994 0 + 5709 WT0 3802 TIP3 H1 HT 0.417000 1.0080 0 + 5710 WT0 3802 TIP3 H2 HT 0.417000 1.0080 0 + 5711 WT0 3804 TIP3 OH2 OT -0.834000 15.9994 0 + 5712 WT0 3804 TIP3 H1 HT 0.417000 1.0080 0 + 5713 WT0 3804 TIP3 H2 HT 0.417000 1.0080 0 + 5714 WT0 3805 TIP3 OH2 OT -0.834000 15.9994 0 + 5715 WT0 3805 TIP3 H1 HT 0.417000 1.0080 0 + 5716 WT0 3805 TIP3 H2 HT 0.417000 1.0080 0 + 5717 WT0 3806 TIP3 OH2 OT -0.834000 15.9994 0 + 5718 WT0 3806 TIP3 H1 HT 0.417000 1.0080 0 + 5719 WT0 3806 TIP3 H2 HT 0.417000 1.0080 0 + 5720 WT0 3807 TIP3 OH2 OT -0.834000 15.9994 0 + 5721 WT0 3807 TIP3 H1 HT 0.417000 1.0080 0 + 5722 WT0 3807 TIP3 H2 HT 0.417000 1.0080 0 + 5723 WT0 3808 TIP3 OH2 OT -0.834000 15.9994 0 + 5724 WT0 3808 TIP3 H1 HT 0.417000 1.0080 0 + 5725 WT0 3808 TIP3 H2 HT 0.417000 1.0080 0 + 5726 WT0 3809 TIP3 OH2 OT -0.834000 15.9994 0 + 5727 WT0 3809 TIP3 H1 HT 0.417000 1.0080 0 + 5728 WT0 3809 TIP3 H2 HT 0.417000 1.0080 0 + 5729 WT0 3810 TIP3 OH2 OT -0.834000 15.9994 0 + 5730 WT0 3810 TIP3 H1 HT 0.417000 1.0080 0 + 5731 WT0 3810 TIP3 H2 HT 0.417000 1.0080 0 + 5732 WT0 3811 TIP3 OH2 OT -0.834000 15.9994 0 + 5733 WT0 3811 TIP3 H1 HT 0.417000 1.0080 0 + 5734 WT0 3811 TIP3 H2 HT 0.417000 1.0080 0 + 5735 WT0 3812 TIP3 OH2 OT -0.834000 15.9994 0 + 5736 WT0 3812 TIP3 H1 HT 0.417000 1.0080 0 + 5737 WT0 3812 TIP3 H2 HT 0.417000 1.0080 0 + 5738 WT0 3813 TIP3 OH2 OT -0.834000 15.9994 0 + 5739 WT0 3813 TIP3 H1 HT 0.417000 1.0080 0 + 5740 WT0 3813 TIP3 H2 HT 0.417000 1.0080 0 + 5741 WT0 3814 TIP3 OH2 OT -0.834000 15.9994 0 + 5742 WT0 3814 TIP3 H1 HT 0.417000 1.0080 0 + 5743 WT0 3814 TIP3 H2 HT 0.417000 1.0080 0 + 5744 WT0 3815 TIP3 OH2 OT -0.834000 15.9994 0 + 5745 WT0 3815 TIP3 H1 HT 0.417000 1.0080 0 + 5746 WT0 3815 TIP3 H2 HT 0.417000 1.0080 0 + 5747 WT0 3817 TIP3 OH2 OT -0.834000 15.9994 0 + 5748 WT0 3817 TIP3 H1 HT 0.417000 1.0080 0 + 5749 WT0 3817 TIP3 H2 HT 0.417000 1.0080 0 + 5750 WT0 3821 TIP3 OH2 OT -0.834000 15.9994 0 + 5751 WT0 3821 TIP3 H1 HT 0.417000 1.0080 0 + 5752 WT0 3821 TIP3 H2 HT 0.417000 1.0080 0 + 5753 WT0 3826 TIP3 OH2 OT -0.834000 15.9994 0 + 5754 WT0 3826 TIP3 H1 HT 0.417000 1.0080 0 + 5755 WT0 3826 TIP3 H2 HT 0.417000 1.0080 0 + 5756 WT0 3827 TIP3 OH2 OT -0.834000 15.9994 0 + 5757 WT0 3827 TIP3 H1 HT 0.417000 1.0080 0 + 5758 WT0 3827 TIP3 H2 HT 0.417000 1.0080 0 + 5759 WT0 3828 TIP3 OH2 OT -0.834000 15.9994 0 + 5760 WT0 3828 TIP3 H1 HT 0.417000 1.0080 0 + 5761 WT0 3828 TIP3 H2 HT 0.417000 1.0080 0 + 5762 WT0 3829 TIP3 OH2 OT -0.834000 15.9994 0 + 5763 WT0 3829 TIP3 H1 HT 0.417000 1.0080 0 + 5764 WT0 3829 TIP3 H2 HT 0.417000 1.0080 0 + 5765 WT0 3830 TIP3 OH2 OT -0.834000 15.9994 0 + 5766 WT0 3830 TIP3 H1 HT 0.417000 1.0080 0 + 5767 WT0 3830 TIP3 H2 HT 0.417000 1.0080 0 + 5768 WT0 3831 TIP3 OH2 OT -0.834000 15.9994 0 + 5769 WT0 3831 TIP3 H1 HT 0.417000 1.0080 0 + 5770 WT0 3831 TIP3 H2 HT 0.417000 1.0080 0 + 5771 WT0 3832 TIP3 OH2 OT -0.834000 15.9994 0 + 5772 WT0 3832 TIP3 H1 HT 0.417000 1.0080 0 + 5773 WT0 3832 TIP3 H2 HT 0.417000 1.0080 0 + 5774 WT0 3833 TIP3 OH2 OT -0.834000 15.9994 0 + 5775 WT0 3833 TIP3 H1 HT 0.417000 1.0080 0 + 5776 WT0 3833 TIP3 H2 HT 0.417000 1.0080 0 + 5777 WT0 3835 TIP3 OH2 OT -0.834000 15.9994 0 + 5778 WT0 3835 TIP3 H1 HT 0.417000 1.0080 0 + 5779 WT0 3835 TIP3 H2 HT 0.417000 1.0080 0 + 5780 WT0 3838 TIP3 OH2 OT -0.834000 15.9994 0 + 5781 WT0 3838 TIP3 H1 HT 0.417000 1.0080 0 + 5782 WT0 3838 TIP3 H2 HT 0.417000 1.0080 0 + 5783 WT0 3841 TIP3 OH2 OT -0.834000 15.9994 0 + 5784 WT0 3841 TIP3 H1 HT 0.417000 1.0080 0 + 5785 WT0 3841 TIP3 H2 HT 0.417000 1.0080 0 + 5786 WT0 3845 TIP3 OH2 OT -0.834000 15.9994 0 + 5787 WT0 3845 TIP3 H1 HT 0.417000 1.0080 0 + 5788 WT0 3845 TIP3 H2 HT 0.417000 1.0080 0 + 5789 WT0 3847 TIP3 OH2 OT -0.834000 15.9994 0 + 5790 WT0 3847 TIP3 H1 HT 0.417000 1.0080 0 + 5791 WT0 3847 TIP3 H2 HT 0.417000 1.0080 0 + 5792 WT0 3850 TIP3 OH2 OT -0.834000 15.9994 0 + 5793 WT0 3850 TIP3 H1 HT 0.417000 1.0080 0 + 5794 WT0 3850 TIP3 H2 HT 0.417000 1.0080 0 + 5795 WT0 3851 TIP3 OH2 OT -0.834000 15.9994 0 + 5796 WT0 3851 TIP3 H1 HT 0.417000 1.0080 0 + 5797 WT0 3851 TIP3 H2 HT 0.417000 1.0080 0 + 5798 WT0 3852 TIP3 OH2 OT -0.834000 15.9994 0 + 5799 WT0 3852 TIP3 H1 HT 0.417000 1.0080 0 + 5800 WT0 3852 TIP3 H2 HT 0.417000 1.0080 0 + 5801 WT0 3853 TIP3 OH2 OT -0.834000 15.9994 0 + 5802 WT0 3853 TIP3 H1 HT 0.417000 1.0080 0 + 5803 WT0 3853 TIP3 H2 HT 0.417000 1.0080 0 + 5804 WT0 3854 TIP3 OH2 OT -0.834000 15.9994 0 + 5805 WT0 3854 TIP3 H1 HT 0.417000 1.0080 0 + 5806 WT0 3854 TIP3 H2 HT 0.417000 1.0080 0 + 5807 WT0 3855 TIP3 OH2 OT -0.834000 15.9994 0 + 5808 WT0 3855 TIP3 H1 HT 0.417000 1.0080 0 + 5809 WT0 3855 TIP3 H2 HT 0.417000 1.0080 0 + 5810 WT0 3859 TIP3 OH2 OT -0.834000 15.9994 0 + 5811 WT0 3859 TIP3 H1 HT 0.417000 1.0080 0 + 5812 WT0 3859 TIP3 H2 HT 0.417000 1.0080 0 + 5813 WT0 3874 TIP3 OH2 OT -0.834000 15.9994 0 + 5814 WT0 3874 TIP3 H1 HT 0.417000 1.0080 0 + 5815 WT0 3874 TIP3 H2 HT 0.417000 1.0080 0 + 5816 WT0 3875 TIP3 OH2 OT -0.834000 15.9994 0 + 5817 WT0 3875 TIP3 H1 HT 0.417000 1.0080 0 + 5818 WT0 3875 TIP3 H2 HT 0.417000 1.0080 0 + 5819 WT0 3878 TIP3 OH2 OT -0.834000 15.9994 0 + 5820 WT0 3878 TIP3 H1 HT 0.417000 1.0080 0 + 5821 WT0 3878 TIP3 H2 HT 0.417000 1.0080 0 + 5822 WT0 3880 TIP3 OH2 OT -0.834000 15.9994 0 + 5823 WT0 3880 TIP3 H1 HT 0.417000 1.0080 0 + 5824 WT0 3880 TIP3 H2 HT 0.417000 1.0080 0 + 5825 WT0 3882 TIP3 OH2 OT -0.834000 15.9994 0 + 5826 WT0 3882 TIP3 H1 HT 0.417000 1.0080 0 + 5827 WT0 3882 TIP3 H2 HT 0.417000 1.0080 0 + 5828 WT0 3886 TIP3 OH2 OT -0.834000 15.9994 0 + 5829 WT0 3886 TIP3 H1 HT 0.417000 1.0080 0 + 5830 WT0 3886 TIP3 H2 HT 0.417000 1.0080 0 + 5831 WT0 3888 TIP3 OH2 OT -0.834000 15.9994 0 + 5832 WT0 3888 TIP3 H1 HT 0.417000 1.0080 0 + 5833 WT0 3888 TIP3 H2 HT 0.417000 1.0080 0 + 5834 WT0 3891 TIP3 OH2 OT -0.834000 15.9994 0 + 5835 WT0 3891 TIP3 H1 HT 0.417000 1.0080 0 + 5836 WT0 3891 TIP3 H2 HT 0.417000 1.0080 0 + 5837 WT0 3892 TIP3 OH2 OT -0.834000 15.9994 0 + 5838 WT0 3892 TIP3 H1 HT 0.417000 1.0080 0 + 5839 WT0 3892 TIP3 H2 HT 0.417000 1.0080 0 + 5840 WT0 3899 TIP3 OH2 OT -0.834000 15.9994 0 + 5841 WT0 3899 TIP3 H1 HT 0.417000 1.0080 0 + 5842 WT0 3899 TIP3 H2 HT 0.417000 1.0080 0 + 5843 WT0 3919 TIP3 OH2 OT -0.834000 15.9994 0 + 5844 WT0 3919 TIP3 H1 HT 0.417000 1.0080 0 + 5845 WT0 3919 TIP3 H2 HT 0.417000 1.0080 0 + 5846 WT0 3924 TIP3 OH2 OT -0.834000 15.9994 0 + 5847 WT0 3924 TIP3 H1 HT 0.417000 1.0080 0 + 5848 WT0 3924 TIP3 H2 HT 0.417000 1.0080 0 + 5849 WT0 3925 TIP3 OH2 OT -0.834000 15.9994 0 + 5850 WT0 3925 TIP3 H1 HT 0.417000 1.0080 0 + 5851 WT0 3925 TIP3 H2 HT 0.417000 1.0080 0 + 5852 WT0 3931 TIP3 OH2 OT -0.834000 15.9994 0 + 5853 WT0 3931 TIP3 H1 HT 0.417000 1.0080 0 + 5854 WT0 3931 TIP3 H2 HT 0.417000 1.0080 0 + 5855 WT0 3932 TIP3 OH2 OT -0.834000 15.9994 0 + 5856 WT0 3932 TIP3 H1 HT 0.417000 1.0080 0 + 5857 WT0 3932 TIP3 H2 HT 0.417000 1.0080 0 + 5858 WT0 3933 TIP3 OH2 OT -0.834000 15.9994 0 + 5859 WT0 3933 TIP3 H1 HT 0.417000 1.0080 0 + 5860 WT0 3933 TIP3 H2 HT 0.417000 1.0080 0 + 5861 WT0 3935 TIP3 OH2 OT -0.834000 15.9994 0 + 5862 WT0 3935 TIP3 H1 HT 0.417000 1.0080 0 + 5863 WT0 3935 TIP3 H2 HT 0.417000 1.0080 0 + 5864 WT0 3938 TIP3 OH2 OT -0.834000 15.9994 0 + 5865 WT0 3938 TIP3 H1 HT 0.417000 1.0080 0 + 5866 WT0 3938 TIP3 H2 HT 0.417000 1.0080 0 + 5867 WT0 3940 TIP3 OH2 OT -0.834000 15.9994 0 + 5868 WT0 3940 TIP3 H1 HT 0.417000 1.0080 0 + 5869 WT0 3940 TIP3 H2 HT 0.417000 1.0080 0 + 5870 WT0 3951 TIP3 OH2 OT -0.834000 15.9994 0 + 5871 WT0 3951 TIP3 H1 HT 0.417000 1.0080 0 + 5872 WT0 3951 TIP3 H2 HT 0.417000 1.0080 0 + 5873 WT0 3956 TIP3 OH2 OT -0.834000 15.9994 0 + 5874 WT0 3956 TIP3 H1 HT 0.417000 1.0080 0 + 5875 WT0 3956 TIP3 H2 HT 0.417000 1.0080 0 + 5876 WT0 3962 TIP3 OH2 OT -0.834000 15.9994 0 + 5877 WT0 3962 TIP3 H1 HT 0.417000 1.0080 0 + 5878 WT0 3962 TIP3 H2 HT 0.417000 1.0080 0 + 5879 WT0 3965 TIP3 OH2 OT -0.834000 15.9994 0 + 5880 WT0 3965 TIP3 H1 HT 0.417000 1.0080 0 + 5881 WT0 3965 TIP3 H2 HT 0.417000 1.0080 0 + 5882 WT0 3972 TIP3 OH2 OT -0.834000 15.9994 0 + 5883 WT0 3972 TIP3 H1 HT 0.417000 1.0080 0 + 5884 WT0 3972 TIP3 H2 HT 0.417000 1.0080 0 + 5885 WT0 3973 TIP3 OH2 OT -0.834000 15.9994 0 + 5886 WT0 3973 TIP3 H1 HT 0.417000 1.0080 0 + 5887 WT0 3973 TIP3 H2 HT 0.417000 1.0080 0 + 5888 WT0 3974 TIP3 OH2 OT -0.834000 15.9994 0 + 5889 WT0 3974 TIP3 H1 HT 0.417000 1.0080 0 + 5890 WT0 3974 TIP3 H2 HT 0.417000 1.0080 0 + 5891 WT0 3975 TIP3 OH2 OT -0.834000 15.9994 0 + 5892 WT0 3975 TIP3 H1 HT 0.417000 1.0080 0 + 5893 WT0 3975 TIP3 H2 HT 0.417000 1.0080 0 + 5894 WT0 3976 TIP3 OH2 OT -0.834000 15.9994 0 + 5895 WT0 3976 TIP3 H1 HT 0.417000 1.0080 0 + 5896 WT0 3976 TIP3 H2 HT 0.417000 1.0080 0 + 5897 WT0 3977 TIP3 OH2 OT -0.834000 15.9994 0 + 5898 WT0 3977 TIP3 H1 HT 0.417000 1.0080 0 + 5899 WT0 3977 TIP3 H2 HT 0.417000 1.0080 0 + 5900 WT0 3982 TIP3 OH2 OT -0.834000 15.9994 0 + 5901 WT0 3982 TIP3 H1 HT 0.417000 1.0080 0 + 5902 WT0 3982 TIP3 H2 HT 0.417000 1.0080 0 + 5903 WT0 3983 TIP3 OH2 OT -0.834000 15.9994 0 + 5904 WT0 3983 TIP3 H1 HT 0.417000 1.0080 0 + 5905 WT0 3983 TIP3 H2 HT 0.417000 1.0080 0 + 5906 WT0 3986 TIP3 OH2 OT -0.834000 15.9994 0 + 5907 WT0 3986 TIP3 H1 HT 0.417000 1.0080 0 + 5908 WT0 3986 TIP3 H2 HT 0.417000 1.0080 0 + 5909 WT0 3991 TIP3 OH2 OT -0.834000 15.9994 0 + 5910 WT0 3991 TIP3 H1 HT 0.417000 1.0080 0 + 5911 WT0 3991 TIP3 H2 HT 0.417000 1.0080 0 + 5912 WT0 3992 TIP3 OH2 OT -0.834000 15.9994 0 + 5913 WT0 3992 TIP3 H1 HT 0.417000 1.0080 0 + 5914 WT0 3992 TIP3 H2 HT 0.417000 1.0080 0 + 5915 WT0 3993 TIP3 OH2 OT -0.834000 15.9994 0 + 5916 WT0 3993 TIP3 H1 HT 0.417000 1.0080 0 + 5917 WT0 3993 TIP3 H2 HT 0.417000 1.0080 0 + 5918 WT0 3996 TIP3 OH2 OT -0.834000 15.9994 0 + 5919 WT0 3996 TIP3 H1 HT 0.417000 1.0080 0 + 5920 WT0 3996 TIP3 H2 HT 0.417000 1.0080 0 + 5921 WT0 3997 TIP3 OH2 OT -0.834000 15.9994 0 + 5922 WT0 3997 TIP3 H1 HT 0.417000 1.0080 0 + 5923 WT0 3997 TIP3 H2 HT 0.417000 1.0080 0 + 5924 WT0 3998 TIP3 OH2 OT -0.834000 15.9994 0 + 5925 WT0 3998 TIP3 H1 HT 0.417000 1.0080 0 + 5926 WT0 3998 TIP3 H2 HT 0.417000 1.0080 0 + 5927 WT0 3999 TIP3 OH2 OT -0.834000 15.9994 0 + 5928 WT0 3999 TIP3 H1 HT 0.417000 1.0080 0 + 5929 WT0 3999 TIP3 H2 HT 0.417000 1.0080 0 + 5930 WT0 4000 TIP3 OH2 OT -0.834000 15.9994 0 + 5931 WT0 4000 TIP3 H1 HT 0.417000 1.0080 0 + 5932 WT0 4000 TIP3 H2 HT 0.417000 1.0080 0 + 5933 WT0 4001 TIP3 OH2 OT -0.834000 15.9994 0 + 5934 WT0 4001 TIP3 H1 HT 0.417000 1.0080 0 + 5935 WT0 4001 TIP3 H2 HT 0.417000 1.0080 0 + 5936 WT0 4002 TIP3 OH2 OT -0.834000 15.9994 0 + 5937 WT0 4002 TIP3 H1 HT 0.417000 1.0080 0 + 5938 WT0 4002 TIP3 H2 HT 0.417000 1.0080 0 + 5939 WT0 4004 TIP3 OH2 OT -0.834000 15.9994 0 + 5940 WT0 4004 TIP3 H1 HT 0.417000 1.0080 0 + 5941 WT0 4004 TIP3 H2 HT 0.417000 1.0080 0 + 5942 WT0 4005 TIP3 OH2 OT -0.834000 15.9994 0 + 5943 WT0 4005 TIP3 H1 HT 0.417000 1.0080 0 + 5944 WT0 4005 TIP3 H2 HT 0.417000 1.0080 0 + 5945 WT0 4006 TIP3 OH2 OT -0.834000 15.9994 0 + 5946 WT0 4006 TIP3 H1 HT 0.417000 1.0080 0 + 5947 WT0 4006 TIP3 H2 HT 0.417000 1.0080 0 + 5948 WT0 4008 TIP3 OH2 OT -0.834000 15.9994 0 + 5949 WT0 4008 TIP3 H1 HT 0.417000 1.0080 0 + 5950 WT0 4008 TIP3 H2 HT 0.417000 1.0080 0 + 5951 WT0 4009 TIP3 OH2 OT -0.834000 15.9994 0 + 5952 WT0 4009 TIP3 H1 HT 0.417000 1.0080 0 + 5953 WT0 4009 TIP3 H2 HT 0.417000 1.0080 0 + 5954 WT0 4010 TIP3 OH2 OT -0.834000 15.9994 0 + 5955 WT0 4010 TIP3 H1 HT 0.417000 1.0080 0 + 5956 WT0 4010 TIP3 H2 HT 0.417000 1.0080 0 + 5957 WT0 4012 TIP3 OH2 OT -0.834000 15.9994 0 + 5958 WT0 4012 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 5981 WT0 4022 TIP3 OH2 OT -0.834000 15.9994 0 + 5982 WT0 4022 TIP3 H1 HT 0.417000 1.0080 0 + 5983 WT0 4022 TIP3 H2 HT 0.417000 1.0080 0 + 5984 WT0 4026 TIP3 OH2 OT -0.834000 15.9994 0 + 5985 WT0 4026 TIP3 H1 HT 0.417000 1.0080 0 + 5986 WT0 4026 TIP3 H2 HT 0.417000 1.0080 0 + 5987 WT0 4030 TIP3 OH2 OT -0.834000 15.9994 0 + 5988 WT0 4030 TIP3 H1 HT 0.417000 1.0080 0 + 5989 WT0 4030 TIP3 H2 HT 0.417000 1.0080 0 + 5990 WT0 4033 TIP3 OH2 OT -0.834000 15.9994 0 + 5991 WT0 4033 TIP3 H1 HT 0.417000 1.0080 0 + 5992 WT0 4033 TIP3 H2 HT 0.417000 1.0080 0 + 5993 WT0 4035 TIP3 OH2 OT -0.834000 15.9994 0 + 5994 WT0 4035 TIP3 H1 HT 0.417000 1.0080 0 + 5995 WT0 4035 TIP3 H2 HT 0.417000 1.0080 0 + 5996 WT0 4036 TIP3 OH2 OT -0.834000 15.9994 0 + 5997 WT0 4036 TIP3 H1 HT 0.417000 1.0080 0 + 5998 WT0 4036 TIP3 H2 HT 0.417000 1.0080 0 + 5999 WT0 4037 TIP3 OH2 OT -0.834000 15.9994 0 + 6000 WT0 4037 TIP3 H1 HT 0.417000 1.0080 0 + 6001 WT0 4037 TIP3 H2 HT 0.417000 1.0080 0 + 6002 WT0 4039 TIP3 OH2 OT -0.834000 15.9994 0 + 6003 WT0 4039 TIP3 H1 HT 0.417000 1.0080 0 + 6004 WT0 4039 TIP3 H2 HT 0.417000 1.0080 0 + 6005 WT0 4040 TIP3 OH2 OT -0.834000 15.9994 0 + 6006 WT0 4040 TIP3 H1 HT 0.417000 1.0080 0 + 6007 WT0 4040 TIP3 H2 HT 0.417000 1.0080 0 + 6008 WT0 4041 TIP3 OH2 OT -0.834000 15.9994 0 + 6009 WT0 4041 TIP3 H1 HT 0.417000 1.0080 0 + 6010 WT0 4041 TIP3 H2 HT 0.417000 1.0080 0 + 6011 WT0 4042 TIP3 OH2 OT -0.834000 15.9994 0 + 6012 WT0 4042 TIP3 H1 HT 0.417000 1.0080 0 + 6013 WT0 4042 TIP3 H2 HT 0.417000 1.0080 0 + 6014 WT0 4043 TIP3 OH2 OT -0.834000 15.9994 0 + 6015 WT0 4043 TIP3 H1 HT 0.417000 1.0080 0 + 6016 WT0 4043 TIP3 H2 HT 0.417000 1.0080 0 + 6017 WT0 4044 TIP3 OH2 OT -0.834000 15.9994 0 + 6018 WT0 4044 TIP3 H1 HT 0.417000 1.0080 0 + 6019 WT0 4044 TIP3 H2 HT 0.417000 1.0080 0 + 6020 WT0 4045 TIP3 OH2 OT -0.834000 15.9994 0 + 6021 WT0 4045 TIP3 H1 HT 0.417000 1.0080 0 + 6022 WT0 4045 TIP3 H2 HT 0.417000 1.0080 0 + 6023 WT0 4046 TIP3 OH2 OT -0.834000 15.9994 0 + 6024 WT0 4046 TIP3 H1 HT 0.417000 1.0080 0 + 6025 WT0 4046 TIP3 H2 HT 0.417000 1.0080 0 + 6026 WT0 4053 TIP3 OH2 OT -0.834000 15.9994 0 + 6027 WT0 4053 TIP3 H1 HT 0.417000 1.0080 0 + 6028 WT0 4053 TIP3 H2 HT 0.417000 1.0080 0 + 6029 WT0 4054 TIP3 OH2 OT -0.834000 15.9994 0 + 6030 WT0 4054 TIP3 H1 HT 0.417000 1.0080 0 + 6031 WT0 4054 TIP3 H2 HT 0.417000 1.0080 0 + 6032 WT0 4055 TIP3 OH2 OT -0.834000 15.9994 0 + 6033 WT0 4055 TIP3 H1 HT 0.417000 1.0080 0 + 6034 WT0 4055 TIP3 H2 HT 0.417000 1.0080 0 + 6035 WT0 4057 TIP3 OH2 OT -0.834000 15.9994 0 + 6036 WT0 4057 TIP3 H1 HT 0.417000 1.0080 0 + 6037 WT0 4057 TIP3 H2 HT 0.417000 1.0080 0 + 6038 WT0 4061 TIP3 OH2 OT -0.834000 15.9994 0 + 6039 WT0 4061 TIP3 H1 HT 0.417000 1.0080 0 + 6040 WT0 4061 TIP3 H2 HT 0.417000 1.0080 0 + 6041 WT0 4062 TIP3 OH2 OT -0.834000 15.9994 0 + 6042 WT0 4062 TIP3 H1 HT 0.417000 1.0080 0 + 6043 WT0 4062 TIP3 H2 HT 0.417000 1.0080 0 + 6044 WT0 4063 TIP3 OH2 OT -0.834000 15.9994 0 + 6045 WT0 4063 TIP3 H1 HT 0.417000 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HT 0.417000 1.0080 0 + 6068 WT0 4077 TIP3 OH2 OT -0.834000 15.9994 0 + 6069 WT0 4077 TIP3 H1 HT 0.417000 1.0080 0 + 6070 WT0 4077 TIP3 H2 HT 0.417000 1.0080 0 + 6071 WT0 4079 TIP3 OH2 OT -0.834000 15.9994 0 + 6072 WT0 4079 TIP3 H1 HT 0.417000 1.0080 0 + 6073 WT0 4079 TIP3 H2 HT 0.417000 1.0080 0 + 6074 WT0 4082 TIP3 OH2 OT -0.834000 15.9994 0 + 6075 WT0 4082 TIP3 H1 HT 0.417000 1.0080 0 + 6076 WT0 4082 TIP3 H2 HT 0.417000 1.0080 0 + 6077 WT0 4084 TIP3 OH2 OT -0.834000 15.9994 0 + 6078 WT0 4084 TIP3 H1 HT 0.417000 1.0080 0 + 6079 WT0 4084 TIP3 H2 HT 0.417000 1.0080 0 + 6080 WT0 4086 TIP3 OH2 OT -0.834000 15.9994 0 + 6081 WT0 4086 TIP3 H1 HT 0.417000 1.0080 0 + 6082 WT0 4086 TIP3 H2 HT 0.417000 1.0080 0 + 6083 WT0 4087 TIP3 OH2 OT -0.834000 15.9994 0 + 6084 WT0 4087 TIP3 H1 HT 0.417000 1.0080 0 + 6085 WT0 4087 TIP3 H2 HT 0.417000 1.0080 0 + 6086 WT0 4088 TIP3 OH2 OT -0.834000 15.9994 0 + 6087 WT0 4088 TIP3 H1 HT 0.417000 1.0080 0 + 6088 WT0 4088 TIP3 H2 HT 0.417000 1.0080 0 + 6089 WT0 4089 TIP3 OH2 OT -0.834000 15.9994 0 + 6090 WT0 4089 TIP3 H1 HT 0.417000 1.0080 0 + 6091 WT0 4089 TIP3 H2 HT 0.417000 1.0080 0 + 6092 WT0 4091 TIP3 OH2 OT -0.834000 15.9994 0 + 6093 WT0 4091 TIP3 H1 HT 0.417000 1.0080 0 + 6094 WT0 4091 TIP3 H2 HT 0.417000 1.0080 0 + 6095 WT0 4092 TIP3 OH2 OT -0.834000 15.9994 0 + 6096 WT0 4092 TIP3 H1 HT 0.417000 1.0080 0 + 6097 WT0 4092 TIP3 H2 HT 0.417000 1.0080 0 + 6098 WT0 4093 TIP3 OH2 OT -0.834000 15.9994 0 + 6099 WT0 4093 TIP3 H1 HT 0.417000 1.0080 0 + 6100 WT0 4093 TIP3 H2 HT 0.417000 1.0080 0 + 6101 WT0 4096 TIP3 OH2 OT -0.834000 15.9994 0 + 6102 WT0 4096 TIP3 H1 HT 0.417000 1.0080 0 + 6103 WT0 4096 TIP3 H2 HT 0.417000 1.0080 0 + 6104 WT0 4097 TIP3 OH2 OT -0.834000 15.9994 0 + 6105 WT0 4097 TIP3 H1 HT 0.417000 1.0080 0 + 6106 WT0 4097 TIP3 H2 HT 0.417000 1.0080 0 + 6107 WT0 4098 TIP3 OH2 OT -0.834000 15.9994 0 + 6108 WT0 4098 TIP3 H1 HT 0.417000 1.0080 0 + 6109 WT0 4098 TIP3 H2 HT 0.417000 1.0080 0 + 6110 WT0 4099 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6133 WT0 4109 TIP3 H2 HT 0.417000 1.0080 0 + 6134 WT0 4110 TIP3 OH2 OT -0.834000 15.9994 0 + 6135 WT0 4110 TIP3 H1 HT 0.417000 1.0080 0 + 6136 WT0 4110 TIP3 H2 HT 0.417000 1.0080 0 + 6137 WT0 4111 TIP3 OH2 OT -0.834000 15.9994 0 + 6138 WT0 4111 TIP3 H1 HT 0.417000 1.0080 0 + 6139 WT0 4111 TIP3 H2 HT 0.417000 1.0080 0 + 6140 WT0 4116 TIP3 OH2 OT -0.834000 15.9994 0 + 6141 WT0 4116 TIP3 H1 HT 0.417000 1.0080 0 + 6142 WT0 4116 TIP3 H2 HT 0.417000 1.0080 0 + 6143 WT0 4119 TIP3 OH2 OT -0.834000 15.9994 0 + 6144 WT0 4119 TIP3 H1 HT 0.417000 1.0080 0 + 6145 WT0 4119 TIP3 H2 HT 0.417000 1.0080 0 + 6146 WT0 4120 TIP3 OH2 OT -0.834000 15.9994 0 + 6147 WT0 4120 TIP3 H1 HT 0.417000 1.0080 0 + 6148 WT0 4120 TIP3 H2 HT 0.417000 1.0080 0 + 6149 WT0 4121 TIP3 OH2 OT -0.834000 15.9994 0 + 6150 WT0 4121 TIP3 H1 HT 0.417000 1.0080 0 + 6151 WT0 4121 TIP3 H2 HT 0.417000 1.0080 0 + 6152 WT0 4123 TIP3 OH2 OT -0.834000 15.9994 0 + 6153 WT0 4123 TIP3 H1 HT 0.417000 1.0080 0 + 6154 WT0 4123 TIP3 H2 HT 0.417000 1.0080 0 + 6155 WT0 4124 TIP3 OH2 OT -0.834000 15.9994 0 + 6156 WT0 4124 TIP3 H1 HT 0.417000 1.0080 0 + 6157 WT0 4124 TIP3 H2 HT 0.417000 1.0080 0 + 6158 WT0 4128 TIP3 OH2 OT -0.834000 15.9994 0 + 6159 WT0 4128 TIP3 H1 HT 0.417000 1.0080 0 + 6160 WT0 4128 TIP3 H2 HT 0.417000 1.0080 0 + 6161 WT0 4129 TIP3 OH2 OT -0.834000 15.9994 0 + 6162 WT0 4129 TIP3 H1 HT 0.417000 1.0080 0 + 6163 WT0 4129 TIP3 H2 HT 0.417000 1.0080 0 + 6164 WT0 4131 TIP3 OH2 OT -0.834000 15.9994 0 + 6165 WT0 4131 TIP3 H1 HT 0.417000 1.0080 0 + 6166 WT0 4131 TIP3 H2 HT 0.417000 1.0080 0 + 6167 WT0 4138 TIP3 OH2 OT -0.834000 15.9994 0 + 6168 WT0 4138 TIP3 H1 HT 0.417000 1.0080 0 + 6169 WT0 4138 TIP3 H2 HT 0.417000 1.0080 0 + 6170 WT0 4139 TIP3 OH2 OT -0.834000 15.9994 0 + 6171 WT0 4139 TIP3 H1 HT 0.417000 1.0080 0 + 6172 WT0 4139 TIP3 H2 HT 0.417000 1.0080 0 + 6173 WT0 4141 TIP3 OH2 OT -0.834000 15.9994 0 + 6174 WT0 4141 TIP3 H1 HT 0.417000 1.0080 0 + 6175 WT0 4141 TIP3 H2 HT 0.417000 1.0080 0 + 6176 WT0 4142 TIP3 OH2 OT -0.834000 15.9994 0 + 6177 WT0 4142 TIP3 H1 HT 0.417000 1.0080 0 + 6178 WT0 4142 TIP3 H2 HT 0.417000 1.0080 0 + 6179 WT0 4144 TIP3 OH2 OT -0.834000 15.9994 0 + 6180 WT0 4144 TIP3 H1 HT 0.417000 1.0080 0 + 6181 WT0 4144 TIP3 H2 HT 0.417000 1.0080 0 + 6182 WT0 4145 TIP3 OH2 OT -0.834000 15.9994 0 + 6183 WT0 4145 TIP3 H1 HT 0.417000 1.0080 0 + 6184 WT0 4145 TIP3 H2 HT 0.417000 1.0080 0 + 6185 WT0 4147 TIP3 OH2 OT -0.834000 15.9994 0 + 6186 WT0 4147 TIP3 H1 HT 0.417000 1.0080 0 + 6187 WT0 4147 TIP3 H2 HT 0.417000 1.0080 0 + 6188 WT0 4148 TIP3 OH2 OT -0.834000 15.9994 0 + 6189 WT0 4148 TIP3 H1 HT 0.417000 1.0080 0 + 6190 WT0 4148 TIP3 H2 HT 0.417000 1.0080 0 + 6191 WT0 4149 TIP3 OH2 OT -0.834000 15.9994 0 + 6192 WT0 4149 TIP3 H1 HT 0.417000 1.0080 0 + 6193 WT0 4149 TIP3 H2 HT 0.417000 1.0080 0 + 6194 WT0 4150 TIP3 OH2 OT -0.834000 15.9994 0 + 6195 WT0 4150 TIP3 H1 HT 0.417000 1.0080 0 + 6196 WT0 4150 TIP3 H2 HT 0.417000 1.0080 0 + 6197 WT0 4151 TIP3 OH2 OT 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0.417000 1.0080 0 + 6263 WT0 4191 TIP3 OH2 OT -0.834000 15.9994 0 + 6264 WT0 4191 TIP3 H1 HT 0.417000 1.0080 0 + 6265 WT0 4191 TIP3 H2 HT 0.417000 1.0080 0 + 6266 WT0 4192 TIP3 OH2 OT -0.834000 15.9994 0 + 6267 WT0 4192 TIP3 H1 HT 0.417000 1.0080 0 + 6268 WT0 4192 TIP3 H2 HT 0.417000 1.0080 0 + 6269 WT0 4194 TIP3 OH2 OT -0.834000 15.9994 0 + 6270 WT0 4194 TIP3 H1 HT 0.417000 1.0080 0 + 6271 WT0 4194 TIP3 H2 HT 0.417000 1.0080 0 + 6272 WT0 4198 TIP3 OH2 OT -0.834000 15.9994 0 + 6273 WT0 4198 TIP3 H1 HT 0.417000 1.0080 0 + 6274 WT0 4198 TIP3 H2 HT 0.417000 1.0080 0 + 6275 WT0 4200 TIP3 OH2 OT -0.834000 15.9994 0 + 6276 WT0 4200 TIP3 H1 HT 0.417000 1.0080 0 + 6277 WT0 4200 TIP3 H2 HT 0.417000 1.0080 0 + 6278 WT0 4201 TIP3 OH2 OT -0.834000 15.9994 0 + 6279 WT0 4201 TIP3 H1 HT 0.417000 1.0080 0 + 6280 WT0 4201 TIP3 H2 HT 0.417000 1.0080 0 + 6281 WT0 4202 TIP3 OH2 OT -0.834000 15.9994 0 + 6282 WT0 4202 TIP3 H1 HT 0.417000 1.0080 0 + 6283 WT0 4202 TIP3 H2 HT 0.417000 1.0080 0 + 6284 WT0 4205 TIP3 OH2 OT -0.834000 15.9994 0 + 6285 WT0 4205 TIP3 H1 HT 0.417000 1.0080 0 + 6286 WT0 4205 TIP3 H2 HT 0.417000 1.0080 0 + 6287 WT0 4206 TIP3 OH2 OT -0.834000 15.9994 0 + 6288 WT0 4206 TIP3 H1 HT 0.417000 1.0080 0 + 6289 WT0 4206 TIP3 H2 HT 0.417000 1.0080 0 + 6290 WT0 4207 TIP3 OH2 OT -0.834000 15.9994 0 + 6291 WT0 4207 TIP3 H1 HT 0.417000 1.0080 0 + 6292 WT0 4207 TIP3 H2 HT 0.417000 1.0080 0 + 6293 WT0 4208 TIP3 OH2 OT -0.834000 15.9994 0 + 6294 WT0 4208 TIP3 H1 HT 0.417000 1.0080 0 + 6295 WT0 4208 TIP3 H2 HT 0.417000 1.0080 0 + 6296 WT0 4209 TIP3 OH2 OT -0.834000 15.9994 0 + 6297 WT0 4209 TIP3 H1 HT 0.417000 1.0080 0 + 6298 WT0 4209 TIP3 H2 HT 0.417000 1.0080 0 + 6299 WT0 4210 TIP3 OH2 OT -0.834000 15.9994 0 + 6300 WT0 4210 TIP3 H1 HT 0.417000 1.0080 0 + 6301 WT0 4210 TIP3 H2 HT 0.417000 1.0080 0 + 6302 WT0 4211 TIP3 OH2 OT -0.834000 15.9994 0 + 6303 WT0 4211 TIP3 H1 HT 0.417000 1.0080 0 + 6304 WT0 4211 TIP3 H2 HT 0.417000 1.0080 0 + 6305 WT0 4212 TIP3 OH2 OT -0.834000 15.9994 0 + 6306 WT0 4212 TIP3 H1 HT 0.417000 1.0080 0 + 6307 WT0 4212 TIP3 H2 HT 0.417000 1.0080 0 + 6308 WT0 4213 TIP3 OH2 OT -0.834000 15.9994 0 + 6309 WT0 4213 TIP3 H1 HT 0.417000 1.0080 0 + 6310 WT0 4213 TIP3 H2 HT 0.417000 1.0080 0 + 6311 WT0 4215 TIP3 OH2 OT -0.834000 15.9994 0 + 6312 WT0 4215 TIP3 H1 HT 0.417000 1.0080 0 + 6313 WT0 4215 TIP3 H2 HT 0.417000 1.0080 0 + 6314 WT0 4216 TIP3 OH2 OT -0.834000 15.9994 0 + 6315 WT0 4216 TIP3 H1 HT 0.417000 1.0080 0 + 6316 WT0 4216 TIP3 H2 HT 0.417000 1.0080 0 + 6317 WT0 4218 TIP3 OH2 OT -0.834000 15.9994 0 + 6318 WT0 4218 TIP3 H1 HT 0.417000 1.0080 0 + 6319 WT0 4218 TIP3 H2 HT 0.417000 1.0080 0 + 6320 WT0 4219 TIP3 OH2 OT -0.834000 15.9994 0 + 6321 WT0 4219 TIP3 H1 HT 0.417000 1.0080 0 + 6322 WT0 4219 TIP3 H2 HT 0.417000 1.0080 0 + 6323 WT0 4224 TIP3 OH2 OT -0.834000 15.9994 0 + 6324 WT0 4224 TIP3 H1 HT 0.417000 1.0080 0 + 6325 WT0 4224 TIP3 H2 HT 0.417000 1.0080 0 + 6326 WT0 4225 TIP3 OH2 OT -0.834000 15.9994 0 + 6327 WT0 4225 TIP3 H1 HT 0.417000 1.0080 0 + 6328 WT0 4225 TIP3 H2 HT 0.417000 1.0080 0 + 6329 WT0 4226 TIP3 OH2 OT -0.834000 15.9994 0 + 6330 WT0 4226 TIP3 H1 HT 0.417000 1.0080 0 + 6331 WT0 4226 TIP3 H2 HT 0.417000 1.0080 0 + 6332 WT0 4227 TIP3 OH2 OT -0.834000 15.9994 0 + 6333 WT0 4227 TIP3 H1 HT 0.417000 1.0080 0 + 6334 WT0 4227 TIP3 H2 HT 0.417000 1.0080 0 + 6335 WT0 4228 TIP3 OH2 OT -0.834000 15.9994 0 + 6336 WT0 4228 TIP3 H1 HT 0.417000 1.0080 0 + 6337 WT0 4228 TIP3 H2 HT 0.417000 1.0080 0 + 6338 WT0 4229 TIP3 OH2 OT -0.834000 15.9994 0 + 6339 WT0 4229 TIP3 H1 HT 0.417000 1.0080 0 + 6340 WT0 4229 TIP3 H2 HT 0.417000 1.0080 0 + 6341 WT0 4230 TIP3 OH2 OT -0.834000 15.9994 0 + 6342 WT0 4230 TIP3 H1 HT 0.417000 1.0080 0 + 6343 WT0 4230 TIP3 H2 HT 0.417000 1.0080 0 + 6344 WT0 4232 TIP3 OH2 OT -0.834000 15.9994 0 + 6345 WT0 4232 TIP3 H1 HT 0.417000 1.0080 0 + 6346 WT0 4232 TIP3 H2 HT 0.417000 1.0080 0 + 6347 WT0 4233 TIP3 OH2 OT -0.834000 15.9994 0 + 6348 WT0 4233 TIP3 H1 HT 0.417000 1.0080 0 + 6349 WT0 4233 TIP3 H2 HT 0.417000 1.0080 0 + 6350 WT0 4234 TIP3 OH2 OT -0.834000 15.9994 0 + 6351 WT0 4234 TIP3 H1 HT 0.417000 1.0080 0 + 6352 WT0 4234 TIP3 H2 HT 0.417000 1.0080 0 + 6353 WT0 4235 TIP3 OH2 OT -0.834000 15.9994 0 + 6354 WT0 4235 TIP3 H1 HT 0.417000 1.0080 0 + 6355 WT0 4235 TIP3 H2 HT 0.417000 1.0080 0 + 6356 WT0 4236 TIP3 OH2 OT -0.834000 15.9994 0 + 6357 WT0 4236 TIP3 H1 HT 0.417000 1.0080 0 + 6358 WT0 4236 TIP3 H2 HT 0.417000 1.0080 0 + 6359 WT0 4238 TIP3 OH2 OT -0.834000 15.9994 0 + 6360 WT0 4238 TIP3 H1 HT 0.417000 1.0080 0 + 6361 WT0 4238 TIP3 H2 HT 0.417000 1.0080 0 + 6362 WT0 4243 TIP3 OH2 OT -0.834000 15.9994 0 + 6363 WT0 4243 TIP3 H1 HT 0.417000 1.0080 0 + 6364 WT0 4243 TIP3 H2 HT 0.417000 1.0080 0 + 6365 WT0 4245 TIP3 OH2 OT -0.834000 15.9994 0 + 6366 WT0 4245 TIP3 H1 HT 0.417000 1.0080 0 + 6367 WT0 4245 TIP3 H2 HT 0.417000 1.0080 0 + 6368 WT0 4247 TIP3 OH2 OT -0.834000 15.9994 0 + 6369 WT0 4247 TIP3 H1 HT 0.417000 1.0080 0 + 6370 WT0 4247 TIP3 H2 HT 0.417000 1.0080 0 + 6371 WT0 4248 TIP3 OH2 OT -0.834000 15.9994 0 + 6372 WT0 4248 TIP3 H1 HT 0.417000 1.0080 0 + 6373 WT0 4248 TIP3 H2 HT 0.417000 1.0080 0 + 6374 WT0 4249 TIP3 OH2 OT -0.834000 15.9994 0 + 6375 WT0 4249 TIP3 H1 HT 0.417000 1.0080 0 + 6376 WT0 4249 TIP3 H2 HT 0.417000 1.0080 0 + 6377 WT0 4251 TIP3 OH2 OT -0.834000 15.9994 0 + 6378 WT0 4251 TIP3 H1 HT 0.417000 1.0080 0 + 6379 WT0 4251 TIP3 H2 HT 0.417000 1.0080 0 + 6380 WT0 4255 TIP3 OH2 OT -0.834000 15.9994 0 + 6381 WT0 4255 TIP3 H1 HT 0.417000 1.0080 0 + 6382 WT0 4255 TIP3 H2 HT 0.417000 1.0080 0 + 6383 WT0 4256 TIP3 OH2 OT -0.834000 15.9994 0 + 6384 WT0 4256 TIP3 H1 HT 0.417000 1.0080 0 + 6385 WT0 4256 TIP3 H2 HT 0.417000 1.0080 0 + 6386 WT0 4257 TIP3 OH2 OT -0.834000 15.9994 0 + 6387 WT0 4257 TIP3 H1 HT 0.417000 1.0080 0 + 6388 WT0 4257 TIP3 H2 HT 0.417000 1.0080 0 + 6389 WT0 4260 TIP3 OH2 OT -0.834000 15.9994 0 + 6390 WT0 4260 TIP3 H1 HT 0.417000 1.0080 0 + 6391 WT0 4260 TIP3 H2 HT 0.417000 1.0080 0 + 6392 WT0 4262 TIP3 OH2 OT -0.834000 15.9994 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0.417000 1.0080 0 + 6415 WT0 4277 TIP3 H2 HT 0.417000 1.0080 0 + 6416 WT0 4278 TIP3 OH2 OT -0.834000 15.9994 0 + 6417 WT0 4278 TIP3 H1 HT 0.417000 1.0080 0 + 6418 WT0 4278 TIP3 H2 HT 0.417000 1.0080 0 + 6419 WT0 4282 TIP3 OH2 OT -0.834000 15.9994 0 + 6420 WT0 4282 TIP3 H1 HT 0.417000 1.0080 0 + 6421 WT0 4282 TIP3 H2 HT 0.417000 1.0080 0 + 6422 WT0 4283 TIP3 OH2 OT -0.834000 15.9994 0 + 6423 WT0 4283 TIP3 H1 HT 0.417000 1.0080 0 + 6424 WT0 4283 TIP3 H2 HT 0.417000 1.0080 0 + 6425 WT0 4287 TIP3 OH2 OT -0.834000 15.9994 0 + 6426 WT0 4287 TIP3 H1 HT 0.417000 1.0080 0 + 6427 WT0 4287 TIP3 H2 HT 0.417000 1.0080 0 + 6428 WT0 4288 TIP3 OH2 OT -0.834000 15.9994 0 + 6429 WT0 4288 TIP3 H1 HT 0.417000 1.0080 0 + 6430 WT0 4288 TIP3 H2 HT 0.417000 1.0080 0 + 6431 WT0 4291 TIP3 OH2 OT -0.834000 15.9994 0 + 6432 WT0 4291 TIP3 H1 HT 0.417000 1.0080 0 + 6433 WT0 4291 TIP3 H2 HT 0.417000 1.0080 0 + 6434 WT0 4292 TIP3 OH2 OT -0.834000 15.9994 0 + 6435 WT0 4292 TIP3 H1 HT 0.417000 1.0080 0 + 6436 WT0 4292 TIP3 H2 HT 0.417000 1.0080 0 + 6437 WT0 4293 TIP3 OH2 OT -0.834000 15.9994 0 + 6438 WT0 4293 TIP3 H1 HT 0.417000 1.0080 0 + 6439 WT0 4293 TIP3 H2 HT 0.417000 1.0080 0 + 6440 WT0 4294 TIP3 OH2 OT -0.834000 15.9994 0 + 6441 WT0 4294 TIP3 H1 HT 0.417000 1.0080 0 + 6442 WT0 4294 TIP3 H2 HT 0.417000 1.0080 0 + 6443 WT0 4295 TIP3 OH2 OT -0.834000 15.9994 0 + 6444 WT0 4295 TIP3 H1 HT 0.417000 1.0080 0 + 6445 WT0 4295 TIP3 H2 HT 0.417000 1.0080 0 + 6446 WT0 4296 TIP3 OH2 OT -0.834000 15.9994 0 + 6447 WT0 4296 TIP3 H1 HT 0.417000 1.0080 0 + 6448 WT0 4296 TIP3 H2 HT 0.417000 1.0080 0 + 6449 WT0 4297 TIP3 OH2 OT -0.834000 15.9994 0 + 6450 WT0 4297 TIP3 H1 HT 0.417000 1.0080 0 + 6451 WT0 4297 TIP3 H2 HT 0.417000 1.0080 0 + 6452 WT0 4298 TIP3 OH2 OT -0.834000 15.9994 0 + 6453 WT0 4298 TIP3 H1 HT 0.417000 1.0080 0 + 6454 WT0 4298 TIP3 H2 HT 0.417000 1.0080 0 + 6455 WT0 4304 TIP3 OH2 OT -0.834000 15.9994 0 + 6456 WT0 4304 TIP3 H1 HT 0.417000 1.0080 0 + 6457 WT0 4304 TIP3 H2 HT 0.417000 1.0080 0 + 6458 WT0 4306 TIP3 OH2 OT -0.834000 15.9994 0 + 6459 WT0 4306 TIP3 H1 HT 0.417000 1.0080 0 + 6460 WT0 4306 TIP3 H2 HT 0.417000 1.0080 0 + 6461 WT0 4307 TIP3 OH2 OT -0.834000 15.9994 0 + 6462 WT0 4307 TIP3 H1 HT 0.417000 1.0080 0 + 6463 WT0 4307 TIP3 H2 HT 0.417000 1.0080 0 + 6464 WT0 4311 TIP3 OH2 OT -0.834000 15.9994 0 + 6465 WT0 4311 TIP3 H1 HT 0.417000 1.0080 0 + 6466 WT0 4311 TIP3 H2 HT 0.417000 1.0080 0 + 6467 WT0 4313 TIP3 OH2 OT -0.834000 15.9994 0 + 6468 WT0 4313 TIP3 H1 HT 0.417000 1.0080 0 + 6469 WT0 4313 TIP3 H2 HT 0.417000 1.0080 0 + 6470 WT0 4319 TIP3 OH2 OT -0.834000 15.9994 0 + 6471 WT0 4319 TIP3 H1 HT 0.417000 1.0080 0 + 6472 WT0 4319 TIP3 H2 HT 0.417000 1.0080 0 + 6473 WT0 4321 TIP3 OH2 OT -0.834000 15.9994 0 + 6474 WT0 4321 TIP3 H1 HT 0.417000 1.0080 0 + 6475 WT0 4321 TIP3 H2 HT 0.417000 1.0080 0 + 6476 WT0 4328 TIP3 OH2 OT -0.834000 15.9994 0 + 6477 WT0 4328 TIP3 H1 HT 0.417000 1.0080 0 + 6478 WT0 4328 TIP3 H2 HT 0.417000 1.0080 0 + 6479 WT0 4336 TIP3 OH2 OT 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4374 TIP3 H1 HT 0.417000 1.0080 0 + 6502 WT0 4374 TIP3 H2 HT 0.417000 1.0080 0 + 6503 WT0 4379 TIP3 OH2 OT -0.834000 15.9994 0 + 6504 WT0 4379 TIP3 H1 HT 0.417000 1.0080 0 + 6505 WT0 4379 TIP3 H2 HT 0.417000 1.0080 0 + 6506 WT0 4380 TIP3 OH2 OT -0.834000 15.9994 0 + 6507 WT0 4380 TIP3 H1 HT 0.417000 1.0080 0 + 6508 WT0 4380 TIP3 H2 HT 0.417000 1.0080 0 + 6509 WT0 4382 TIP3 OH2 OT -0.834000 15.9994 0 + 6510 WT0 4382 TIP3 H1 HT 0.417000 1.0080 0 + 6511 WT0 4382 TIP3 H2 HT 0.417000 1.0080 0 + 6512 WT0 4394 TIP3 OH2 OT -0.834000 15.9994 0 + 6513 WT0 4394 TIP3 H1 HT 0.417000 1.0080 0 + 6514 WT0 4394 TIP3 H2 HT 0.417000 1.0080 0 + 6515 WT0 4396 TIP3 OH2 OT -0.834000 15.9994 0 + 6516 WT0 4396 TIP3 H1 HT 0.417000 1.0080 0 + 6517 WT0 4396 TIP3 H2 HT 0.417000 1.0080 0 + 6518 WT0 4401 TIP3 OH2 OT -0.834000 15.9994 0 + 6519 WT0 4401 TIP3 H1 HT 0.417000 1.0080 0 + 6520 WT0 4401 TIP3 H2 HT 0.417000 1.0080 0 + 6521 WT0 4404 TIP3 OH2 OT -0.834000 15.9994 0 + 6522 WT0 4404 TIP3 H1 HT 0.417000 1.0080 0 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TIP3 OH2 OT -0.834000 15.9994 0 + 6567 WT0 4453 TIP3 H1 HT 0.417000 1.0080 0 + 6568 WT0 4453 TIP3 H2 HT 0.417000 1.0080 0 + 6569 WT0 4455 TIP3 OH2 OT -0.834000 15.9994 0 + 6570 WT0 4455 TIP3 H1 HT 0.417000 1.0080 0 + 6571 WT0 4455 TIP3 H2 HT 0.417000 1.0080 0 + 6572 WT0 4456 TIP3 OH2 OT -0.834000 15.9994 0 + 6573 WT0 4456 TIP3 H1 HT 0.417000 1.0080 0 + 6574 WT0 4456 TIP3 H2 HT 0.417000 1.0080 0 + 6575 WT0 4457 TIP3 OH2 OT -0.834000 15.9994 0 + 6576 WT0 4457 TIP3 H1 HT 0.417000 1.0080 0 + 6577 WT0 4457 TIP3 H2 HT 0.417000 1.0080 0 + 6578 WT0 4459 TIP3 OH2 OT -0.834000 15.9994 0 + 6579 WT0 4459 TIP3 H1 HT 0.417000 1.0080 0 + 6580 WT0 4459 TIP3 H2 HT 0.417000 1.0080 0 + 6581 WT0 4460 TIP3 OH2 OT -0.834000 15.9994 0 + 6582 WT0 4460 TIP3 H1 HT 0.417000 1.0080 0 + 6583 WT0 4460 TIP3 H2 HT 0.417000 1.0080 0 + 6584 WT0 4461 TIP3 OH2 OT -0.834000 15.9994 0 + 6585 WT0 4461 TIP3 H1 HT 0.417000 1.0080 0 + 6586 WT0 4461 TIP3 H2 HT 0.417000 1.0080 0 + 6587 WT0 4462 TIP3 OH2 OT -0.834000 15.9994 0 + 6588 WT0 4462 TIP3 H1 HT 0.417000 1.0080 0 + 6589 WT0 4462 TIP3 H2 HT 0.417000 1.0080 0 + 6590 WT0 4463 TIP3 OH2 OT -0.834000 15.9994 0 + 6591 WT0 4463 TIP3 H1 HT 0.417000 1.0080 0 + 6592 WT0 4463 TIP3 H2 HT 0.417000 1.0080 0 + 6593 WT0 4465 TIP3 OH2 OT -0.834000 15.9994 0 + 6594 WT0 4465 TIP3 H1 HT 0.417000 1.0080 0 + 6595 WT0 4465 TIP3 H2 HT 0.417000 1.0080 0 + 6596 WT0 4466 TIP3 OH2 OT -0.834000 15.9994 0 + 6597 WT0 4466 TIP3 H1 HT 0.417000 1.0080 0 + 6598 WT0 4466 TIP3 H2 HT 0.417000 1.0080 0 + 6599 WT0 4469 TIP3 OH2 OT -0.834000 15.9994 0 + 6600 WT0 4469 TIP3 H1 HT 0.417000 1.0080 0 + 6601 WT0 4469 TIP3 H2 HT 0.417000 1.0080 0 + 6602 WT0 4470 TIP3 OH2 OT -0.834000 15.9994 0 + 6603 WT0 4470 TIP3 H1 HT 0.417000 1.0080 0 + 6604 WT0 4470 TIP3 H2 HT 0.417000 1.0080 0 + 6605 WT0 4473 TIP3 OH2 OT -0.834000 15.9994 0 + 6606 WT0 4473 TIP3 H1 HT 0.417000 1.0080 0 + 6607 WT0 4473 TIP3 H2 HT 0.417000 1.0080 0 + 6608 WT0 4474 TIP3 OH2 OT -0.834000 15.9994 0 + 6609 WT0 4474 TIP3 H1 HT 0.417000 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4505 TIP3 OH2 OT -0.834000 15.9994 0 + 6654 WT0 4505 TIP3 H1 HT 0.417000 1.0080 0 + 6655 WT0 4505 TIP3 H2 HT 0.417000 1.0080 0 + 6656 WT0 4506 TIP3 OH2 OT -0.834000 15.9994 0 + 6657 WT0 4506 TIP3 H1 HT 0.417000 1.0080 0 + 6658 WT0 4506 TIP3 H2 HT 0.417000 1.0080 0 + 6659 WT0 4507 TIP3 OH2 OT -0.834000 15.9994 0 + 6660 WT0 4507 TIP3 H1 HT 0.417000 1.0080 0 + 6661 WT0 4507 TIP3 H2 HT 0.417000 1.0080 0 + 6662 WT0 4508 TIP3 OH2 OT -0.834000 15.9994 0 + 6663 WT0 4508 TIP3 H1 HT 0.417000 1.0080 0 + 6664 WT0 4508 TIP3 H2 HT 0.417000 1.0080 0 + 6665 WT0 4509 TIP3 OH2 OT -0.834000 15.9994 0 + 6666 WT0 4509 TIP3 H1 HT 0.417000 1.0080 0 + 6667 WT0 4509 TIP3 H2 HT 0.417000 1.0080 0 + 6668 WT0 4513 TIP3 OH2 OT -0.834000 15.9994 0 + 6669 WT0 4513 TIP3 H1 HT 0.417000 1.0080 0 + 6670 WT0 4513 TIP3 H2 HT 0.417000 1.0080 0 + 6671 WT0 4515 TIP3 OH2 OT -0.834000 15.9994 0 + 6672 WT0 4515 TIP3 H1 HT 0.417000 1.0080 0 + 6673 WT0 4515 TIP3 H2 HT 0.417000 1.0080 0 + 6674 WT0 4516 TIP3 OH2 OT -0.834000 15.9994 0 + 6675 WT0 4516 TIP3 H1 HT 0.417000 1.0080 0 + 6676 WT0 4516 TIP3 H2 HT 0.417000 1.0080 0 + 6677 WT0 4517 TIP3 OH2 OT -0.834000 15.9994 0 + 6678 WT0 4517 TIP3 H1 HT 0.417000 1.0080 0 + 6679 WT0 4517 TIP3 H2 HT 0.417000 1.0080 0 + 6680 WT0 4518 TIP3 OH2 OT -0.834000 15.9994 0 + 6681 WT0 4518 TIP3 H1 HT 0.417000 1.0080 0 + 6682 WT0 4518 TIP3 H2 HT 0.417000 1.0080 0 + 6683 WT0 4519 TIP3 OH2 OT -0.834000 15.9994 0 + 6684 WT0 4519 TIP3 H1 HT 0.417000 1.0080 0 + 6685 WT0 4519 TIP3 H2 HT 0.417000 1.0080 0 + 6686 WT0 4520 TIP3 OH2 OT -0.834000 15.9994 0 + 6687 WT0 4520 TIP3 H1 HT 0.417000 1.0080 0 + 6688 WT0 4520 TIP3 H2 HT 0.417000 1.0080 0 + 6689 WT0 4522 TIP3 OH2 OT -0.834000 15.9994 0 + 6690 WT0 4522 TIP3 H1 HT 0.417000 1.0080 0 + 6691 WT0 4522 TIP3 H2 HT 0.417000 1.0080 0 + 6692 WT0 4523 TIP3 OH2 OT -0.834000 15.9994 0 + 6693 WT0 4523 TIP3 H1 HT 0.417000 1.0080 0 + 6694 WT0 4523 TIP3 H2 HT 0.417000 1.0080 0 + 6695 WT0 4525 TIP3 OH2 OT -0.834000 15.9994 0 + 6696 WT0 4525 TIP3 H1 HT 0.417000 1.0080 0 + 6697 WT0 4525 TIP3 H2 HT 0.417000 1.0080 0 + 6698 WT0 4526 TIP3 OH2 OT -0.834000 15.9994 0 + 6699 WT0 4526 TIP3 H1 HT 0.417000 1.0080 0 + 6700 WT0 4526 TIP3 H2 HT 0.417000 1.0080 0 + 6701 WT0 4527 TIP3 OH2 OT -0.834000 15.9994 0 + 6702 WT0 4527 TIP3 H1 HT 0.417000 1.0080 0 + 6703 WT0 4527 TIP3 H2 HT 0.417000 1.0080 0 + 6704 WT0 4528 TIP3 OH2 OT -0.834000 15.9994 0 + 6705 WT0 4528 TIP3 H1 HT 0.417000 1.0080 0 + 6706 WT0 4528 TIP3 H2 HT 0.417000 1.0080 0 + 6707 WT0 4529 TIP3 OH2 OT -0.834000 15.9994 0 + 6708 WT0 4529 TIP3 H1 HT 0.417000 1.0080 0 + 6709 WT0 4529 TIP3 H2 HT 0.417000 1.0080 0 + 6710 WT0 4531 TIP3 OH2 OT -0.834000 15.9994 0 + 6711 WT0 4531 TIP3 H1 HT 0.417000 1.0080 0 + 6712 WT0 4531 TIP3 H2 HT 0.417000 1.0080 0 + 6713 WT0 4532 TIP3 OH2 OT -0.834000 15.9994 0 + 6714 WT0 4532 TIP3 H1 HT 0.417000 1.0080 0 + 6715 WT0 4532 TIP3 H2 HT 0.417000 1.0080 0 + 6716 WT0 4536 TIP3 OH2 OT -0.834000 15.9994 0 + 6717 WT0 4536 TIP3 H1 HT 0.417000 1.0080 0 + 6718 WT0 4536 TIP3 H2 HT 0.417000 1.0080 0 + 6719 WT0 4537 TIP3 OH2 OT -0.834000 15.9994 0 + 6720 WT0 4537 TIP3 H1 HT 0.417000 1.0080 0 + 6721 WT0 4537 TIP3 H2 HT 0.417000 1.0080 0 + 6722 WT0 4538 TIP3 OH2 OT -0.834000 15.9994 0 + 6723 WT0 4538 TIP3 H1 HT 0.417000 1.0080 0 + 6724 WT0 4538 TIP3 H2 HT 0.417000 1.0080 0 + 6725 WT0 4540 TIP3 OH2 OT -0.834000 15.9994 0 + 6726 WT0 4540 TIP3 H1 HT 0.417000 1.0080 0 + 6727 WT0 4540 TIP3 H2 HT 0.417000 1.0080 0 + 6728 WT0 4541 TIP3 OH2 OT -0.834000 15.9994 0 + 6729 WT0 4541 TIP3 H1 HT 0.417000 1.0080 0 + 6730 WT0 4541 TIP3 H2 HT 0.417000 1.0080 0 + 6731 WT0 4543 TIP3 OH2 OT -0.834000 15.9994 0 + 6732 WT0 4543 TIP3 H1 HT 0.417000 1.0080 0 + 6733 WT0 4543 TIP3 H2 HT 0.417000 1.0080 0 + 6734 WT0 4544 TIP3 OH2 OT -0.834000 15.9994 0 + 6735 WT0 4544 TIP3 H1 HT 0.417000 1.0080 0 + 6736 WT0 4544 TIP3 H2 HT 0.417000 1.0080 0 + 6737 WT0 4545 TIP3 OH2 OT -0.834000 15.9994 0 + 6738 WT0 4545 TIP3 H1 HT 0.417000 1.0080 0 + 6739 WT0 4545 TIP3 H2 HT 0.417000 1.0080 0 + 6740 WT0 4546 TIP3 OH2 OT -0.834000 15.9994 0 + 6741 WT0 4546 TIP3 H1 HT 0.417000 1.0080 0 + 6742 WT0 4546 TIP3 H2 HT 0.417000 1.0080 0 + 6743 WT0 4547 TIP3 OH2 OT -0.834000 15.9994 0 + 6744 WT0 4547 TIP3 H1 HT 0.417000 1.0080 0 + 6745 WT0 4547 TIP3 H2 HT 0.417000 1.0080 0 + 6746 WT0 4548 TIP3 OH2 OT -0.834000 15.9994 0 + 6747 WT0 4548 TIP3 H1 HT 0.417000 1.0080 0 + 6748 WT0 4548 TIP3 H2 HT 0.417000 1.0080 0 + 6749 WT0 4549 TIP3 OH2 OT -0.834000 15.9994 0 + 6750 WT0 4549 TIP3 H1 HT 0.417000 1.0080 0 + 6751 WT0 4549 TIP3 H2 HT 0.417000 1.0080 0 + 6752 WT0 4550 TIP3 OH2 OT -0.834000 15.9994 0 + 6753 WT0 4550 TIP3 H1 HT 0.417000 1.0080 0 + 6754 WT0 4550 TIP3 H2 HT 0.417000 1.0080 0 + 6755 WT0 4551 TIP3 OH2 OT -0.834000 15.9994 0 + 6756 WT0 4551 TIP3 H1 HT 0.417000 1.0080 0 + 6757 WT0 4551 TIP3 H2 HT 0.417000 1.0080 0 + 6758 WT0 4553 TIP3 OH2 OT -0.834000 15.9994 0 + 6759 WT0 4553 TIP3 H1 HT 0.417000 1.0080 0 + 6760 WT0 4553 TIP3 H2 HT 0.417000 1.0080 0 + 6761 WT0 4558 TIP3 OH2 OT 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4568 TIP3 H1 HT 0.417000 1.0080 0 + 6784 WT0 4568 TIP3 H2 HT 0.417000 1.0080 0 + 6785 WT0 4569 TIP3 OH2 OT -0.834000 15.9994 0 + 6786 WT0 4569 TIP3 H1 HT 0.417000 1.0080 0 + 6787 WT0 4569 TIP3 H2 HT 0.417000 1.0080 0 + 6788 WT0 4570 TIP3 OH2 OT -0.834000 15.9994 0 + 6789 WT0 4570 TIP3 H1 HT 0.417000 1.0080 0 + 6790 WT0 4570 TIP3 H2 HT 0.417000 1.0080 0 + 6791 WT0 4571 TIP3 OH2 OT -0.834000 15.9994 0 + 6792 WT0 4571 TIP3 H1 HT 0.417000 1.0080 0 + 6793 WT0 4571 TIP3 H2 HT 0.417000 1.0080 0 + 6794 WT0 4572 TIP3 OH2 OT -0.834000 15.9994 0 + 6795 WT0 4572 TIP3 H1 HT 0.417000 1.0080 0 + 6796 WT0 4572 TIP3 H2 HT 0.417000 1.0080 0 + 6797 WT0 4573 TIP3 OH2 OT -0.834000 15.9994 0 + 6798 WT0 4573 TIP3 H1 HT 0.417000 1.0080 0 + 6799 WT0 4573 TIP3 H2 HT 0.417000 1.0080 0 + 6800 WT0 4574 TIP3 OH2 OT -0.834000 15.9994 0 + 6801 WT0 4574 TIP3 H1 HT 0.417000 1.0080 0 + 6802 WT0 4574 TIP3 H2 HT 0.417000 1.0080 0 + 6803 WT0 4578 TIP3 OH2 OT -0.834000 15.9994 0 + 6804 WT0 4578 TIP3 H1 HT 0.417000 1.0080 0 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6870 WT0 4617 TIP3 H1 HT 0.417000 1.0080 0 + 6871 WT0 4617 TIP3 H2 HT 0.417000 1.0080 0 + 6872 WT0 4619 TIP3 OH2 OT -0.834000 15.9994 0 + 6873 WT0 4619 TIP3 H1 HT 0.417000 1.0080 0 + 6874 WT0 4619 TIP3 H2 HT 0.417000 1.0080 0 + 6875 WT0 4621 TIP3 OH2 OT -0.834000 15.9994 0 + 6876 WT0 4621 TIP3 H1 HT 0.417000 1.0080 0 + 6877 WT0 4621 TIP3 H2 HT 0.417000 1.0080 0 + 6878 WT0 4622 TIP3 OH2 OT -0.834000 15.9994 0 + 6879 WT0 4622 TIP3 H1 HT 0.417000 1.0080 0 + 6880 WT0 4622 TIP3 H2 HT 0.417000 1.0080 0 + 6881 WT0 4623 TIP3 OH2 OT -0.834000 15.9994 0 + 6882 WT0 4623 TIP3 H1 HT 0.417000 1.0080 0 + 6883 WT0 4623 TIP3 H2 HT 0.417000 1.0080 0 + 6884 WT0 4624 TIP3 OH2 OT -0.834000 15.9994 0 + 6885 WT0 4624 TIP3 H1 HT 0.417000 1.0080 0 + 6886 WT0 4624 TIP3 H2 HT 0.417000 1.0080 0 + 6887 WT0 4625 TIP3 OH2 OT -0.834000 15.9994 0 + 6888 WT0 4625 TIP3 H1 HT 0.417000 1.0080 0 + 6889 WT0 4625 TIP3 H2 HT 0.417000 1.0080 0 + 6890 WT0 4627 TIP3 OH2 OT -0.834000 15.9994 0 + 6891 WT0 4627 TIP3 H1 HT 0.417000 1.0080 0 + 6892 WT0 4627 TIP3 H2 HT 0.417000 1.0080 0 + 6893 WT0 4628 TIP3 OH2 OT -0.834000 15.9994 0 + 6894 WT0 4628 TIP3 H1 HT 0.417000 1.0080 0 + 6895 WT0 4628 TIP3 H2 HT 0.417000 1.0080 0 + 6896 WT0 4632 TIP3 OH2 OT -0.834000 15.9994 0 + 6897 WT0 4632 TIP3 H1 HT 0.417000 1.0080 0 + 6898 WT0 4632 TIP3 H2 HT 0.417000 1.0080 0 + 6899 WT0 4633 TIP3 OH2 OT -0.834000 15.9994 0 + 6900 WT0 4633 TIP3 H1 HT 0.417000 1.0080 0 + 6901 WT0 4633 TIP3 H2 HT 0.417000 1.0080 0 + 6902 WT0 4634 TIP3 OH2 OT -0.834000 15.9994 0 + 6903 WT0 4634 TIP3 H1 HT 0.417000 1.0080 0 + 6904 WT0 4634 TIP3 H2 HT 0.417000 1.0080 0 + 6905 WT0 4635 TIP3 OH2 OT -0.834000 15.9994 0 + 6906 WT0 4635 TIP3 H1 HT 0.417000 1.0080 0 + 6907 WT0 4635 TIP3 H2 HT 0.417000 1.0080 0 + 6908 WT0 4636 TIP3 OH2 OT -0.834000 15.9994 0 + 6909 WT0 4636 TIP3 H1 HT 0.417000 1.0080 0 + 6910 WT0 4636 TIP3 H2 HT 0.417000 1.0080 0 + 6911 WT0 4639 TIP3 OH2 OT -0.834000 15.9994 0 + 6912 WT0 4639 TIP3 H1 HT 0.417000 1.0080 0 + 6913 WT0 4639 TIP3 H2 HT 0.417000 1.0080 0 + 6914 WT0 4641 TIP3 OH2 OT -0.834000 15.9994 0 + 6915 WT0 4641 TIP3 H1 HT 0.417000 1.0080 0 + 6916 WT0 4641 TIP3 H2 HT 0.417000 1.0080 0 + 6917 WT0 4643 TIP3 OH2 OT -0.834000 15.9994 0 + 6918 WT0 4643 TIP3 H1 HT 0.417000 1.0080 0 + 6919 WT0 4643 TIP3 H2 HT 0.417000 1.0080 0 + 6920 WT0 4644 TIP3 OH2 OT -0.834000 15.9994 0 + 6921 WT0 4644 TIP3 H1 HT 0.417000 1.0080 0 + 6922 WT0 4644 TIP3 H2 HT 0.417000 1.0080 0 + 6923 WT0 4645 TIP3 OH2 OT -0.834000 15.9994 0 + 6924 WT0 4645 TIP3 H1 HT 0.417000 1.0080 0 + 6925 WT0 4645 TIP3 H2 HT 0.417000 1.0080 0 + 6926 WT0 4646 TIP3 OH2 OT -0.834000 15.9994 0 + 6927 WT0 4646 TIP3 H1 HT 0.417000 1.0080 0 + 6928 WT0 4646 TIP3 H2 HT 0.417000 1.0080 0 + 6929 WT0 4647 TIP3 OH2 OT -0.834000 15.9994 0 + 6930 WT0 4647 TIP3 H1 HT 0.417000 1.0080 0 + 6931 WT0 4647 TIP3 H2 HT 0.417000 1.0080 0 + 6932 WT0 4648 TIP3 OH2 OT -0.834000 15.9994 0 + 6933 WT0 4648 TIP3 H1 HT 0.417000 1.0080 0 + 6934 WT0 4648 TIP3 H2 HT 0.417000 1.0080 0 + 6935 WT0 4650 TIP3 OH2 OT -0.834000 15.9994 0 + 6936 WT0 4650 TIP3 H1 HT 0.417000 1.0080 0 + 6937 WT0 4650 TIP3 H2 HT 0.417000 1.0080 0 + 6938 WT0 4651 TIP3 OH2 OT -0.834000 15.9994 0 + 6939 WT0 4651 TIP3 H1 HT 0.417000 1.0080 0 + 6940 WT0 4651 TIP3 H2 HT 0.417000 1.0080 0 + 6941 WT0 4652 TIP3 OH2 OT -0.834000 15.9994 0 + 6942 WT0 4652 TIP3 H1 HT 0.417000 1.0080 0 + 6943 WT0 4652 TIP3 H2 HT 0.417000 1.0080 0 + 6944 WT0 4654 TIP3 OH2 OT -0.834000 15.9994 0 + 6945 WT0 4654 TIP3 H1 HT 0.417000 1.0080 0 + 6946 WT0 4654 TIP3 H2 HT 0.417000 1.0080 0 + 6947 WT0 4655 TIP3 OH2 OT -0.834000 15.9994 0 + 6948 WT0 4655 TIP3 H1 HT 0.417000 1.0080 0 + 6949 WT0 4655 TIP3 H2 HT 0.417000 1.0080 0 + 6950 WT0 4661 TIP3 OH2 OT -0.834000 15.9994 0 + 6951 WT0 4661 TIP3 H1 HT 0.417000 1.0080 0 + 6952 WT0 4661 TIP3 H2 HT 0.417000 1.0080 0 + 6953 WT0 4665 TIP3 OH2 OT -0.834000 15.9994 0 + 6954 WT0 4665 TIP3 H1 HT 0.417000 1.0080 0 + 6955 WT0 4665 TIP3 H2 HT 0.417000 1.0080 0 + 6956 WT0 4666 TIP3 OH2 OT -0.834000 15.9994 0 + 6957 WT0 4666 TIP3 H1 HT 0.417000 1.0080 0 + 6958 WT0 4666 TIP3 H2 HT 0.417000 1.0080 0 + 6959 WT0 4667 TIP3 OH2 OT -0.834000 15.9994 0 + 6960 WT0 4667 TIP3 H1 HT 0.417000 1.0080 0 + 6961 WT0 4667 TIP3 H2 HT 0.417000 1.0080 0 + 6962 WT0 4668 TIP3 OH2 OT -0.834000 15.9994 0 + 6963 WT0 4668 TIP3 H1 HT 0.417000 1.0080 0 + 6964 WT0 4668 TIP3 H2 HT 0.417000 1.0080 0 + 6965 WT0 4669 TIP3 OH2 OT -0.834000 15.9994 0 + 6966 WT0 4669 TIP3 H1 HT 0.417000 1.0080 0 + 6967 WT0 4669 TIP3 H2 HT 0.417000 1.0080 0 + 6968 WT0 4670 TIP3 OH2 OT -0.834000 15.9994 0 + 6969 WT0 4670 TIP3 H1 HT 0.417000 1.0080 0 + 6970 WT0 4670 TIP3 H2 HT 0.417000 1.0080 0 + 6971 WT0 4671 TIP3 OH2 OT -0.834000 15.9994 0 + 6972 WT0 4671 TIP3 H1 HT 0.417000 1.0080 0 + 6973 WT0 4671 TIP3 H2 HT 0.417000 1.0080 0 + 6974 WT0 4672 TIP3 OH2 OT -0.834000 15.9994 0 + 6975 WT0 4672 TIP3 H1 HT 0.417000 1.0080 0 + 6976 WT0 4672 TIP3 H2 HT 0.417000 1.0080 0 + 6977 WT0 4673 TIP3 OH2 OT -0.834000 15.9994 0 + 6978 WT0 4673 TIP3 H1 HT 0.417000 1.0080 0 + 6979 WT0 4673 TIP3 H2 HT 0.417000 1.0080 0 + 6980 WT0 4674 TIP3 OH2 OT -0.834000 15.9994 0 + 6981 WT0 4674 TIP3 H1 HT 0.417000 1.0080 0 + 6982 WT0 4674 TIP3 H2 HT 0.417000 1.0080 0 + 6983 WT0 4675 TIP3 OH2 OT -0.834000 15.9994 0 + 6984 WT0 4675 TIP3 H1 HT 0.417000 1.0080 0 + 6985 WT0 4675 TIP3 H2 HT 0.417000 1.0080 0 + 6986 WT0 4676 TIP3 OH2 OT -0.834000 15.9994 0 + 6987 WT0 4676 TIP3 H1 HT 0.417000 1.0080 0 + 6988 WT0 4676 TIP3 H2 HT 0.417000 1.0080 0 + 6989 WT0 4677 TIP3 OH2 OT -0.834000 15.9994 0 + 6990 WT0 4677 TIP3 H1 HT 0.417000 1.0080 0 + 6991 WT0 4677 TIP3 H2 HT 0.417000 1.0080 0 + 6992 WT0 4685 TIP3 OH2 OT -0.834000 15.9994 0 + 6993 WT0 4685 TIP3 H1 HT 0.417000 1.0080 0 + 6994 WT0 4685 TIP3 H2 HT 0.417000 1.0080 0 + 6995 WT0 4686 TIP3 OH2 OT -0.834000 15.9994 0 + 6996 WT0 4686 TIP3 H1 HT 0.417000 1.0080 0 + 6997 WT0 4686 TIP3 H2 HT 0.417000 1.0080 0 + 6998 WT0 4687 TIP3 OH2 OT -0.834000 15.9994 0 + 6999 WT0 4687 TIP3 H1 HT 0.417000 1.0080 0 + 7000 WT0 4687 TIP3 H2 HT 0.417000 1.0080 0 + 7001 WT0 4689 TIP3 OH2 OT -0.834000 15.9994 0 + 7002 WT0 4689 TIP3 H1 HT 0.417000 1.0080 0 + 7003 WT0 4689 TIP3 H2 HT 0.417000 1.0080 0 + 7004 WT0 4692 TIP3 OH2 OT -0.834000 15.9994 0 + 7005 WT0 4692 TIP3 H1 HT 0.417000 1.0080 0 + 7006 WT0 4692 TIP3 H2 HT 0.417000 1.0080 0 + 7007 WT0 4693 TIP3 OH2 OT -0.834000 15.9994 0 + 7008 WT0 4693 TIP3 H1 HT 0.417000 1.0080 0 + 7009 WT0 4693 TIP3 H2 HT 0.417000 1.0080 0 + 7010 WT0 4694 TIP3 OH2 OT -0.834000 15.9994 0 + 7011 WT0 4694 TIP3 H1 HT 0.417000 1.0080 0 + 7012 WT0 4694 TIP3 H2 HT 0.417000 1.0080 0 + 7013 WT0 4696 TIP3 OH2 OT -0.834000 15.9994 0 + 7014 WT0 4696 TIP3 H1 HT 0.417000 1.0080 0 + 7015 WT0 4696 TIP3 H2 HT 0.417000 1.0080 0 + 7016 WT0 4698 TIP3 OH2 OT -0.834000 15.9994 0 + 7017 WT0 4698 TIP3 H1 HT 0.417000 1.0080 0 + 7018 WT0 4698 TIP3 H2 HT 0.417000 1.0080 0 + 7019 WT0 4699 TIP3 OH2 OT -0.834000 15.9994 0 + 7020 WT0 4699 TIP3 H1 HT 0.417000 1.0080 0 + 7021 WT0 4699 TIP3 H2 HT 0.417000 1.0080 0 + 7022 WT0 4706 TIP3 OH2 OT -0.834000 15.9994 0 + 7023 WT0 4706 TIP3 H1 HT 0.417000 1.0080 0 + 7024 WT0 4706 TIP3 H2 HT 0.417000 1.0080 0 + 7025 WT0 4708 TIP3 OH2 OT -0.834000 15.9994 0 + 7026 WT0 4708 TIP3 H1 HT 0.417000 1.0080 0 + 7027 WT0 4708 TIP3 H2 HT 0.417000 1.0080 0 + 7028 WT0 4710 TIP3 OH2 OT -0.834000 15.9994 0 + 7029 WT0 4710 TIP3 H1 HT 0.417000 1.0080 0 + 7030 WT0 4710 TIP3 H2 HT 0.417000 1.0080 0 + 7031 WT0 4713 TIP3 OH2 OT -0.834000 15.9994 0 + 7032 WT0 4713 TIP3 H1 HT 0.417000 1.0080 0 + 7033 WT0 4713 TIP3 H2 HT 0.417000 1.0080 0 + 7034 WT0 4714 TIP3 OH2 OT -0.834000 15.9994 0 + 7035 WT0 4714 TIP3 H1 HT 0.417000 1.0080 0 + 7036 WT0 4714 TIP3 H2 HT 0.417000 1.0080 0 + 7037 WT0 4715 TIP3 OH2 OT -0.834000 15.9994 0 + 7038 WT0 4715 TIP3 H1 HT 0.417000 1.0080 0 + 7039 WT0 4715 TIP3 H2 HT 0.417000 1.0080 0 + 7040 WT0 4717 TIP3 OH2 OT -0.834000 15.9994 0 + 7041 WT0 4717 TIP3 H1 HT 0.417000 1.0080 0 + 7042 WT0 4717 TIP3 H2 HT 0.417000 1.0080 0 + 7043 WT0 4718 TIP3 OH2 OT -0.834000 15.9994 0 + 7044 WT0 4718 TIP3 H1 HT 0.417000 1.0080 0 + 7045 WT0 4718 TIP3 H2 HT 0.417000 1.0080 0 + 7046 WT0 4725 TIP3 OH2 OT -0.834000 15.9994 0 + 7047 WT0 4725 TIP3 H1 HT 0.417000 1.0080 0 + 7048 WT0 4725 TIP3 H2 HT 0.417000 1.0080 0 + 7049 WT0 4732 TIP3 OH2 OT -0.834000 15.9994 0 + 7050 WT0 4732 TIP3 H1 HT 0.417000 1.0080 0 + 7051 WT0 4732 TIP3 H2 HT 0.417000 1.0080 0 + 7052 WT0 4734 TIP3 OH2 OT -0.834000 15.9994 0 + 7053 WT0 4734 TIP3 H1 HT 0.417000 1.0080 0 + 7054 WT0 4734 TIP3 H2 HT 0.417000 1.0080 0 + 7055 WT0 4735 TIP3 OH2 OT -0.834000 15.9994 0 + 7056 WT0 4735 TIP3 H1 HT 0.417000 1.0080 0 + 7057 WT0 4735 TIP3 H2 HT 0.417000 1.0080 0 + 7058 WT0 4739 TIP3 OH2 OT -0.834000 15.9994 0 + 7059 WT0 4739 TIP3 H1 HT 0.417000 1.0080 0 + 7060 WT0 4739 TIP3 H2 HT 0.417000 1.0080 0 + 7061 WT0 4740 TIP3 OH2 OT -0.834000 15.9994 0 + 7062 WT0 4740 TIP3 H1 HT 0.417000 1.0080 0 + 7063 WT0 4740 TIP3 H2 HT 0.417000 1.0080 0 + 7064 WT0 4742 TIP3 OH2 OT -0.834000 15.9994 0 + 7065 WT0 4742 TIP3 H1 HT 0.417000 1.0080 0 + 7066 WT0 4742 TIP3 H2 HT 0.417000 1.0080 0 + 7067 WT0 4750 TIP3 OH2 OT -0.834000 15.9994 0 + 7068 WT0 4750 TIP3 H1 HT 0.417000 1.0080 0 + 7069 WT0 4750 TIP3 H2 HT 0.417000 1.0080 0 + 7070 WT0 4751 TIP3 OH2 OT -0.834000 15.9994 0 + 7071 WT0 4751 TIP3 H1 HT 0.417000 1.0080 0 + 7072 WT0 4751 TIP3 H2 HT 0.417000 1.0080 0 + 7073 WT0 4753 TIP3 OH2 OT -0.834000 15.9994 0 + 7074 WT0 4753 TIP3 H1 HT 0.417000 1.0080 0 + 7075 WT0 4753 TIP3 H2 HT 0.417000 1.0080 0 + 7076 WT0 4755 TIP3 OH2 OT -0.834000 15.9994 0 + 7077 WT0 4755 TIP3 H1 HT 0.417000 1.0080 0 + 7078 WT0 4755 TIP3 H2 HT 0.417000 1.0080 0 + 7079 WT0 4759 TIP3 OH2 OT -0.834000 15.9994 0 + 7080 WT0 4759 TIP3 H1 HT 0.417000 1.0080 0 + 7081 WT0 4759 TIP3 H2 HT 0.417000 1.0080 0 + 7082 WT0 4760 TIP3 OH2 OT -0.834000 15.9994 0 + 7083 WT0 4760 TIP3 H1 HT 0.417000 1.0080 0 + 7084 WT0 4760 TIP3 H2 HT 0.417000 1.0080 0 + 7085 WT0 4776 TIP3 OH2 OT -0.834000 15.9994 0 + 7086 WT0 4776 TIP3 H1 HT 0.417000 1.0080 0 + 7087 WT0 4776 TIP3 H2 HT 0.417000 1.0080 0 + 7088 WT0 4778 TIP3 OH2 OT -0.834000 15.9994 0 + 7089 WT0 4778 TIP3 H1 HT 0.417000 1.0080 0 + 7090 WT0 4778 TIP3 H2 HT 0.417000 1.0080 0 + 7091 WT0 4787 TIP3 OH2 OT -0.834000 15.9994 0 + 7092 WT0 4787 TIP3 H1 HT 0.417000 1.0080 0 + 7093 WT0 4787 TIP3 H2 HT 0.417000 1.0080 0 + 7094 WT0 4791 TIP3 OH2 OT -0.834000 15.9994 0 + 7095 WT0 4791 TIP3 H1 HT 0.417000 1.0080 0 + 7096 WT0 4791 TIP3 H2 HT 0.417000 1.0080 0 + 7097 WT0 4797 TIP3 OH2 OT -0.834000 15.9994 0 + 7098 WT0 4797 TIP3 H1 HT 0.417000 1.0080 0 + 7099 WT0 4797 TIP3 H2 HT 0.417000 1.0080 0 + 7100 WT0 4798 TIP3 OH2 OT -0.834000 15.9994 0 + 7101 WT0 4798 TIP3 H1 HT 0.417000 1.0080 0 + 7102 WT0 4798 TIP3 H2 HT 0.417000 1.0080 0 + 7103 WT0 4799 TIP3 OH2 OT -0.834000 15.9994 0 + 7104 WT0 4799 TIP3 H1 HT 0.417000 1.0080 0 + 7105 WT0 4799 TIP3 H2 HT 0.417000 1.0080 0 + 7106 WT0 4800 TIP3 OH2 OT -0.834000 15.9994 0 + 7107 WT0 4800 TIP3 H1 HT 0.417000 1.0080 0 + 7108 WT0 4800 TIP3 H2 HT 0.417000 1.0080 0 + 7109 WT0 4801 TIP3 OH2 OT -0.834000 15.9994 0 + 7110 WT0 4801 TIP3 H1 HT 0.417000 1.0080 0 + 7111 WT0 4801 TIP3 H2 HT 0.417000 1.0080 0 + 7112 WT0 4808 TIP3 OH2 OT -0.834000 15.9994 0 + 7113 WT0 4808 TIP3 H1 HT 0.417000 1.0080 0 + 7114 WT0 4808 TIP3 H2 HT 0.417000 1.0080 0 + 7115 WT0 4809 TIP3 OH2 OT -0.834000 15.9994 0 + 7116 WT0 4809 TIP3 H1 HT 0.417000 1.0080 0 + 7117 WT0 4809 TIP3 H2 HT 0.417000 1.0080 0 + 7118 WT0 4813 TIP3 OH2 OT -0.834000 15.9994 0 + 7119 WT0 4813 TIP3 H1 HT 0.417000 1.0080 0 + 7120 WT0 4813 TIP3 H2 HT 0.417000 1.0080 0 + 7121 WT0 4814 TIP3 OH2 OT -0.834000 15.9994 0 + 7122 WT0 4814 TIP3 H1 HT 0.417000 1.0080 0 + 7123 WT0 4814 TIP3 H2 HT 0.417000 1.0080 0 + 7124 WT0 4815 TIP3 OH2 OT -0.834000 15.9994 0 + 7125 WT0 4815 TIP3 H1 HT 0.417000 1.0080 0 + 7126 WT0 4815 TIP3 H2 HT 0.417000 1.0080 0 + 7127 WT0 4817 TIP3 OH2 OT -0.834000 15.9994 0 + 7128 WT0 4817 TIP3 H1 HT 0.417000 1.0080 0 + 7129 WT0 4817 TIP3 H2 HT 0.417000 1.0080 0 + 7130 WT0 4820 TIP3 OH2 OT -0.834000 15.9994 0 + 7131 WT0 4820 TIP3 H1 HT 0.417000 1.0080 0 + 7132 WT0 4820 TIP3 H2 HT 0.417000 1.0080 0 + 7133 WT0 4821 TIP3 OH2 OT -0.834000 15.9994 0 + 7134 WT0 4821 TIP3 H1 HT 0.417000 1.0080 0 + 7135 WT0 4821 TIP3 H2 HT 0.417000 1.0080 0 + 7136 WT0 4822 TIP3 OH2 OT -0.834000 15.9994 0 + 7137 WT0 4822 TIP3 H1 HT 0.417000 1.0080 0 + 7138 WT0 4822 TIP3 H2 HT 0.417000 1.0080 0 + 7139 WT0 4834 TIP3 OH2 OT -0.834000 15.9994 0 + 7140 WT0 4834 TIP3 H1 HT 0.417000 1.0080 0 + 7141 WT0 4834 TIP3 H2 HT 0.417000 1.0080 0 + 7142 WT0 4835 TIP3 OH2 OT -0.834000 15.9994 0 + 7143 WT0 4835 TIP3 H1 HT 0.417000 1.0080 0 + 7144 WT0 4835 TIP3 H2 HT 0.417000 1.0080 0 + 7145 WT0 4836 TIP3 OH2 OT -0.834000 15.9994 0 + 7146 WT0 4836 TIP3 H1 HT 0.417000 1.0080 0 + 7147 WT0 4836 TIP3 H2 HT 0.417000 1.0080 0 + 7148 WT0 4837 TIP3 OH2 OT -0.834000 15.9994 0 + 7149 WT0 4837 TIP3 H1 HT 0.417000 1.0080 0 + 7150 WT0 4837 TIP3 H2 HT 0.417000 1.0080 0 + 7151 WT0 4844 TIP3 OH2 OT -0.834000 15.9994 0 + 7152 WT0 4844 TIP3 H1 HT 0.417000 1.0080 0 + 7153 WT0 4844 TIP3 H2 HT 0.417000 1.0080 0 + 7154 WT0 4849 TIP3 OH2 OT -0.834000 15.9994 0 + 7155 WT0 4849 TIP3 H1 HT 0.417000 1.0080 0 + 7156 WT0 4849 TIP3 H2 HT 0.417000 1.0080 0 + 7157 WT0 4851 TIP3 OH2 OT -0.834000 15.9994 0 + 7158 WT0 4851 TIP3 H1 HT 0.417000 1.0080 0 + 7159 WT0 4851 TIP3 H2 HT 0.417000 1.0080 0 + 7160 WT0 4853 TIP3 OH2 OT -0.834000 15.9994 0 + 7161 WT0 4853 TIP3 H1 HT 0.417000 1.0080 0 + 7162 WT0 4853 TIP3 H2 HT 0.417000 1.0080 0 + 7163 WT0 4856 TIP3 OH2 OT -0.834000 15.9994 0 + 7164 WT0 4856 TIP3 H1 HT 0.417000 1.0080 0 + 7165 WT0 4856 TIP3 H2 HT 0.417000 1.0080 0 + 7166 WT0 4857 TIP3 OH2 OT -0.834000 15.9994 0 + 7167 WT0 4857 TIP3 H1 HT 0.417000 1.0080 0 + 7168 WT0 4857 TIP3 H2 HT 0.417000 1.0080 0 + 7169 WT0 4858 TIP3 OH2 OT -0.834000 15.9994 0 + 7170 WT0 4858 TIP3 H1 HT 0.417000 1.0080 0 + 7171 WT0 4858 TIP3 H2 HT 0.417000 1.0080 0 + 7172 WT0 4861 TIP3 OH2 OT -0.834000 15.9994 0 + 7173 WT0 4861 TIP3 H1 HT 0.417000 1.0080 0 + 7174 WT0 4861 TIP3 H2 HT 0.417000 1.0080 0 + 7175 WT0 4863 TIP3 OH2 OT -0.834000 15.9994 0 + 7176 WT0 4863 TIP3 H1 HT 0.417000 1.0080 0 + 7177 WT0 4863 TIP3 H2 HT 0.417000 1.0080 0 + 7178 WT0 4864 TIP3 OH2 OT -0.834000 15.9994 0 + 7179 WT0 4864 TIP3 H1 HT 0.417000 1.0080 0 + 7180 WT0 4864 TIP3 H2 HT 0.417000 1.0080 0 + 7181 WT0 4866 TIP3 OH2 OT -0.834000 15.9994 0 + 7182 WT0 4866 TIP3 H1 HT 0.417000 1.0080 0 + 7183 WT0 4866 TIP3 H2 HT 0.417000 1.0080 0 + 7184 WT0 4872 TIP3 OH2 OT -0.834000 15.9994 0 + 7185 WT0 4872 TIP3 H1 HT 0.417000 1.0080 0 + 7186 WT0 4872 TIP3 H2 HT 0.417000 1.0080 0 + 7187 WT0 4875 TIP3 OH2 OT -0.834000 15.9994 0 + 7188 WT0 4875 TIP3 H1 HT 0.417000 1.0080 0 + 7189 WT0 4875 TIP3 H2 HT 0.417000 1.0080 0 + 7190 WT0 4877 TIP3 OH2 OT -0.834000 15.9994 0 + 7191 WT0 4877 TIP3 H1 HT 0.417000 1.0080 0 + 7192 WT0 4877 TIP3 H2 HT 0.417000 1.0080 0 + 7193 WT0 4880 TIP3 OH2 OT -0.834000 15.9994 0 + 7194 WT0 4880 TIP3 H1 HT 0.417000 1.0080 0 + 7195 WT0 4880 TIP3 H2 HT 0.417000 1.0080 0 + 7196 WT0 4881 TIP3 OH2 OT -0.834000 15.9994 0 + 7197 WT0 4881 TIP3 H1 HT 0.417000 1.0080 0 + 7198 WT0 4881 TIP3 H2 HT 0.417000 1.0080 0 + 7199 WT0 4882 TIP3 OH2 OT -0.834000 15.9994 0 + 7200 WT0 4882 TIP3 H1 HT 0.417000 1.0080 0 + 7201 WT0 4882 TIP3 H2 HT 0.417000 1.0080 0 + 7202 WT0 4884 TIP3 OH2 OT -0.834000 15.9994 0 + 7203 WT0 4884 TIP3 H1 HT 0.417000 1.0080 0 + 7204 WT0 4884 TIP3 H2 HT 0.417000 1.0080 0 + 7205 WT0 4887 TIP3 OH2 OT -0.834000 15.9994 0 + 7206 WT0 4887 TIP3 H1 HT 0.417000 1.0080 0 + 7207 WT0 4887 TIP3 H2 HT 0.417000 1.0080 0 + 7208 WT0 4890 TIP3 OH2 OT -0.834000 15.9994 0 + 7209 WT0 4890 TIP3 H1 HT 0.417000 1.0080 0 + 7210 WT0 4890 TIP3 H2 HT 0.417000 1.0080 0 + 7211 WT0 4896 TIP3 OH2 OT -0.834000 15.9994 0 + 7212 WT0 4896 TIP3 H1 HT 0.417000 1.0080 0 + 7213 WT0 4896 TIP3 H2 HT 0.417000 1.0080 0 + 7214 WT0 4897 TIP3 OH2 OT -0.834000 15.9994 0 + 7215 WT0 4897 TIP3 H1 HT 0.417000 1.0080 0 + 7216 WT0 4897 TIP3 H2 HT 0.417000 1.0080 0 + 7217 WT0 4898 TIP3 OH2 OT -0.834000 15.9994 0 + 7218 WT0 4898 TIP3 H1 HT 0.417000 1.0080 0 + 7219 WT0 4898 TIP3 H2 HT 0.417000 1.0080 0 + 7220 WT0 4899 TIP3 OH2 OT -0.834000 15.9994 0 + 7221 WT0 4899 TIP3 H1 HT 0.417000 1.0080 0 + 7222 WT0 4899 TIP3 H2 HT 0.417000 1.0080 0 + 7223 WT0 4901 TIP3 OH2 OT -0.834000 15.9994 0 + 7224 WT0 4901 TIP3 H1 HT 0.417000 1.0080 0 + 7225 WT0 4901 TIP3 H2 HT 0.417000 1.0080 0 + 7226 WT0 4902 TIP3 OH2 OT -0.834000 15.9994 0 + 7227 WT0 4902 TIP3 H1 HT 0.417000 1.0080 0 + 7228 WT0 4902 TIP3 H2 HT 0.417000 1.0080 0 + 7229 WT0 4903 TIP3 OH2 OT -0.834000 15.9994 0 + 7230 WT0 4903 TIP3 H1 HT 0.417000 1.0080 0 + 7231 WT0 4903 TIP3 H2 HT 0.417000 1.0080 0 + 7232 WT0 4905 TIP3 OH2 OT -0.834000 15.9994 0 + 7233 WT0 4905 TIP3 H1 HT 0.417000 1.0080 0 + 7234 WT0 4905 TIP3 H2 HT 0.417000 1.0080 0 + 7235 WT0 4908 TIP3 OH2 OT -0.834000 15.9994 0 + 7236 WT0 4908 TIP3 H1 HT 0.417000 1.0080 0 + 7237 WT0 4908 TIP3 H2 HT 0.417000 1.0080 0 + 7238 WT0 4911 TIP3 OH2 OT -0.834000 15.9994 0 + 7239 WT0 4911 TIP3 H1 HT 0.417000 1.0080 0 + 7240 WT0 4911 TIP3 H2 HT 0.417000 1.0080 0 + 7241 WT0 4914 TIP3 OH2 OT -0.834000 15.9994 0 + 7242 WT0 4914 TIP3 H1 HT 0.417000 1.0080 0 + 7243 WT0 4914 TIP3 H2 HT 0.417000 1.0080 0 + 7244 WT0 4915 TIP3 OH2 OT -0.834000 15.9994 0 + 7245 WT0 4915 TIP3 H1 HT 0.417000 1.0080 0 + 7246 WT0 4915 TIP3 H2 HT 0.417000 1.0080 0 + 7247 WT0 4916 TIP3 OH2 OT -0.834000 15.9994 0 + 7248 WT0 4916 TIP3 H1 HT 0.417000 1.0080 0 + 7249 WT0 4916 TIP3 H2 HT 0.417000 1.0080 0 + 7250 WT0 4919 TIP3 OH2 OT -0.834000 15.9994 0 + 7251 WT0 4919 TIP3 H1 HT 0.417000 1.0080 0 + 7252 WT0 4919 TIP3 H2 HT 0.417000 1.0080 0 + 7253 WT0 4922 TIP3 OH2 OT -0.834000 15.9994 0 + 7254 WT0 4922 TIP3 H1 HT 0.417000 1.0080 0 + 7255 WT0 4922 TIP3 H2 HT 0.417000 1.0080 0 + 7256 WT0 4924 TIP3 OH2 OT -0.834000 15.9994 0 + 7257 WT0 4924 TIP3 H1 HT 0.417000 1.0080 0 + 7258 WT0 4924 TIP3 H2 HT 0.417000 1.0080 0 + 7259 WT0 4925 TIP3 OH2 OT -0.834000 15.9994 0 + 7260 WT0 4925 TIP3 H1 HT 0.417000 1.0080 0 + 7261 WT0 4925 TIP3 H2 HT 0.417000 1.0080 0 + 7262 WT0 4926 TIP3 OH2 OT -0.834000 15.9994 0 + 7263 WT0 4926 TIP3 H1 HT 0.417000 1.0080 0 + 7264 WT0 4926 TIP3 H2 HT 0.417000 1.0080 0 + 7265 WT0 4927 TIP3 OH2 OT -0.834000 15.9994 0 + 7266 WT0 4927 TIP3 H1 HT 0.417000 1.0080 0 + 7267 WT0 4927 TIP3 H2 HT 0.417000 1.0080 0 + 7268 WT0 4932 TIP3 OH2 OT -0.834000 15.9994 0 + 7269 WT0 4932 TIP3 H1 HT 0.417000 1.0080 0 + 7270 WT0 4932 TIP3 H2 HT 0.417000 1.0080 0 + 7271 WT0 4933 TIP3 OH2 OT -0.834000 15.9994 0 + 7272 WT0 4933 TIP3 H1 HT 0.417000 1.0080 0 + 7273 WT0 4933 TIP3 H2 HT 0.417000 1.0080 0 + 7274 WT0 4934 TIP3 OH2 OT -0.834000 15.9994 0 + 7275 WT0 4934 TIP3 H1 HT 0.417000 1.0080 0 + 7276 WT0 4934 TIP3 H2 HT 0.417000 1.0080 0 + 7277 WT0 4935 TIP3 OH2 OT -0.834000 15.9994 0 + 7278 WT0 4935 TIP3 H1 HT 0.417000 1.0080 0 + 7279 WT0 4935 TIP3 H2 HT 0.417000 1.0080 0 + 7280 WT0 4936 TIP3 OH2 OT -0.834000 15.9994 0 + 7281 WT0 4936 TIP3 H1 HT 0.417000 1.0080 0 + 7282 WT0 4936 TIP3 H2 HT 0.417000 1.0080 0 + 7283 WT0 4937 TIP3 OH2 OT -0.834000 15.9994 0 + 7284 WT0 4937 TIP3 H1 HT 0.417000 1.0080 0 + 7285 WT0 4937 TIP3 H2 HT 0.417000 1.0080 0 + 7286 WT0 4941 TIP3 OH2 OT -0.834000 15.9994 0 + 7287 WT0 4941 TIP3 H1 HT 0.417000 1.0080 0 + 7288 WT0 4941 TIP3 H2 HT 0.417000 1.0080 0 + 7289 WT0 4942 TIP3 OH2 OT -0.834000 15.9994 0 + 7290 WT0 4942 TIP3 H1 HT 0.417000 1.0080 0 + 7291 WT0 4942 TIP3 H2 HT 0.417000 1.0080 0 + 7292 WT0 4944 TIP3 OH2 OT -0.834000 15.9994 0 + 7293 WT0 4944 TIP3 H1 HT 0.417000 1.0080 0 + 7294 WT0 4944 TIP3 H2 HT 0.417000 1.0080 0 + 7295 WT0 4945 TIP3 OH2 OT -0.834000 15.9994 0 + 7296 WT0 4945 TIP3 H1 HT 0.417000 1.0080 0 + 7297 WT0 4945 TIP3 H2 HT 0.417000 1.0080 0 + 7298 WT0 4947 TIP3 OH2 OT -0.834000 15.9994 0 + 7299 WT0 4947 TIP3 H1 HT 0.417000 1.0080 0 + 7300 WT0 4947 TIP3 H2 HT 0.417000 1.0080 0 + 7301 WT0 4948 TIP3 OH2 OT -0.834000 15.9994 0 + 7302 WT0 4948 TIP3 H1 HT 0.417000 1.0080 0 + 7303 WT0 4948 TIP3 H2 HT 0.417000 1.0080 0 + 7304 WT0 4950 TIP3 OH2 OT -0.834000 15.9994 0 + 7305 WT0 4950 TIP3 H1 HT 0.417000 1.0080 0 + 7306 WT0 4950 TIP3 H2 HT 0.417000 1.0080 0 + 7307 WT0 4951 TIP3 OH2 OT -0.834000 15.9994 0 + 7308 WT0 4951 TIP3 H1 HT 0.417000 1.0080 0 + 7309 WT0 4951 TIP3 H2 HT 0.417000 1.0080 0 + 7310 WT0 4957 TIP3 OH2 OT -0.834000 15.9994 0 + 7311 WT0 4957 TIP3 H1 HT 0.417000 1.0080 0 + 7312 WT0 4957 TIP3 H2 HT 0.417000 1.0080 0 + 7313 WT0 4961 TIP3 OH2 OT -0.834000 15.9994 0 + 7314 WT0 4961 TIP3 H1 HT 0.417000 1.0080 0 + 7315 WT0 4961 TIP3 H2 HT 0.417000 1.0080 0 + 7316 WT0 4964 TIP3 OH2 OT -0.834000 15.9994 0 + 7317 WT0 4964 TIP3 H1 HT 0.417000 1.0080 0 + 7318 WT0 4964 TIP3 H2 HT 0.417000 1.0080 0 + 7319 WT0 4965 TIP3 OH2 OT -0.834000 15.9994 0 + 7320 WT0 4965 TIP3 H1 HT 0.417000 1.0080 0 + 7321 WT0 4965 TIP3 H2 HT 0.417000 1.0080 0 + 7322 WT0 4966 TIP3 OH2 OT -0.834000 15.9994 0 + 7323 WT0 4966 TIP3 H1 HT 0.417000 1.0080 0 + 7324 WT0 4966 TIP3 H2 HT 0.417000 1.0080 0 + 7325 WT0 4969 TIP3 OH2 OT -0.834000 15.9994 0 + 7326 WT0 4969 TIP3 H1 HT 0.417000 1.0080 0 + 7327 WT0 4969 TIP3 H2 HT 0.417000 1.0080 0 + 7328 WT0 4971 TIP3 OH2 OT -0.834000 15.9994 0 + 7329 WT0 4971 TIP3 H1 HT 0.417000 1.0080 0 + 7330 WT0 4971 TIP3 H2 HT 0.417000 1.0080 0 + 7331 WT0 4972 TIP3 OH2 OT -0.834000 15.9994 0 + 7332 WT0 4972 TIP3 H1 HT 0.417000 1.0080 0 + 7333 WT0 4972 TIP3 H2 HT 0.417000 1.0080 0 + 7334 WT0 4980 TIP3 OH2 OT -0.834000 15.9994 0 + 7335 WT0 4980 TIP3 H1 HT 0.417000 1.0080 0 + 7336 WT0 4980 TIP3 H2 HT 0.417000 1.0080 0 + 7337 WT0 4982 TIP3 OH2 OT -0.834000 15.9994 0 + 7338 WT0 4982 TIP3 H1 HT 0.417000 1.0080 0 + 7339 WT0 4982 TIP3 H2 HT 0.417000 1.0080 0 + 7340 WT0 4984 TIP3 OH2 OT -0.834000 15.9994 0 + 7341 WT0 4984 TIP3 H1 HT 0.417000 1.0080 0 + 7342 WT0 4984 TIP3 H2 HT 0.417000 1.0080 0 + 7343 WT0 4985 TIP3 OH2 OT -0.834000 15.9994 0 + 7344 WT0 4985 TIP3 H1 HT 0.417000 1.0080 0 + 7345 WT0 4985 TIP3 H2 HT 0.417000 1.0080 0 + 7346 WT0 4986 TIP3 OH2 OT -0.834000 15.9994 0 + 7347 WT0 4986 TIP3 H1 HT 0.417000 1.0080 0 + 7348 WT0 4986 TIP3 H2 HT 0.417000 1.0080 0 + 7349 WT0 4988 TIP3 OH2 OT -0.834000 15.9994 0 + 7350 WT0 4988 TIP3 H1 HT 0.417000 1.0080 0 + 7351 WT0 4988 TIP3 H2 HT 0.417000 1.0080 0 + 7352 WT0 4989 TIP3 OH2 OT -0.834000 15.9994 0 + 7353 WT0 4989 TIP3 H1 HT 0.417000 1.0080 0 + 7354 WT0 4989 TIP3 H2 HT 0.417000 1.0080 0 + 7355 WT0 4991 TIP3 OH2 OT -0.834000 15.9994 0 + 7356 WT0 4991 TIP3 H1 HT 0.417000 1.0080 0 + 7357 WT0 4991 TIP3 H2 HT 0.417000 1.0080 0 + 7358 WT0 4992 TIP3 OH2 OT -0.834000 15.9994 0 + 7359 WT0 4992 TIP3 H1 HT 0.417000 1.0080 0 + 7360 WT0 4992 TIP3 H2 HT 0.417000 1.0080 0 + 7361 WT0 4993 TIP3 OH2 OT -0.834000 15.9994 0 + 7362 WT0 4993 TIP3 H1 HT 0.417000 1.0080 0 + 7363 WT0 4993 TIP3 H2 HT 0.417000 1.0080 0 + 7364 WT0 4996 TIP3 OH2 OT -0.834000 15.9994 0 + 7365 WT0 4996 TIP3 H1 HT 0.417000 1.0080 0 + 7366 WT0 4996 TIP3 H2 HT 0.417000 1.0080 0 + 7367 WT0 4998 TIP3 OH2 OT -0.834000 15.9994 0 + 7368 WT0 4998 TIP3 H1 HT 0.417000 1.0080 0 + 7369 WT0 4998 TIP3 H2 HT 0.417000 1.0080 0 + 7370 WT0 5000 TIP3 OH2 OT -0.834000 15.9994 0 + 7371 WT0 5000 TIP3 H1 HT 0.417000 1.0080 0 + 7372 WT0 5000 TIP3 H2 HT 0.417000 1.0080 0 + 7373 WT0 5001 TIP3 OH2 OT -0.834000 15.9994 0 + 7374 WT0 5001 TIP3 H1 HT 0.417000 1.0080 0 + 7375 WT0 5001 TIP3 H2 HT 0.417000 1.0080 0 + 7376 WT0 5002 TIP3 OH2 OT -0.834000 15.9994 0 + 7377 WT0 5002 TIP3 H1 HT 0.417000 1.0080 0 + 7378 WT0 5002 TIP3 H2 HT 0.417000 1.0080 0 + 7379 WT0 5003 TIP3 OH2 OT -0.834000 15.9994 0 + 7380 WT0 5003 TIP3 H1 HT 0.417000 1.0080 0 + 7381 WT0 5003 TIP3 H2 HT 0.417000 1.0080 0 + 7382 WT0 5004 TIP3 OH2 OT -0.834000 15.9994 0 + 7383 WT0 5004 TIP3 H1 HT 0.417000 1.0080 0 + 7384 WT0 5004 TIP3 H2 HT 0.417000 1.0080 0 + 7385 WT0 5006 TIP3 OH2 OT -0.834000 15.9994 0 + 7386 WT0 5006 TIP3 H1 HT 0.417000 1.0080 0 + 7387 WT0 5006 TIP3 H2 HT 0.417000 1.0080 0 + 7388 WT0 5007 TIP3 OH2 OT -0.834000 15.9994 0 + 7389 WT0 5007 TIP3 H1 HT 0.417000 1.0080 0 + 7390 WT0 5007 TIP3 H2 HT 0.417000 1.0080 0 + 7391 WT0 5008 TIP3 OH2 OT -0.834000 15.9994 0 + 7392 WT0 5008 TIP3 H1 HT 0.417000 1.0080 0 + 7393 WT0 5008 TIP3 H2 HT 0.417000 1.0080 0 + 7394 WT0 5010 TIP3 OH2 OT -0.834000 15.9994 0 + 7395 WT0 5010 TIP3 H1 HT 0.417000 1.0080 0 + 7396 WT0 5010 TIP3 H2 HT 0.417000 1.0080 0 + 7397 WT0 5012 TIP3 OH2 OT -0.834000 15.9994 0 + 7398 WT0 5012 TIP3 H1 HT 0.417000 1.0080 0 + 7399 WT0 5012 TIP3 H2 HT 0.417000 1.0080 0 + 7400 WT0 5013 TIP3 OH2 OT -0.834000 15.9994 0 + 7401 WT0 5013 TIP3 H1 HT 0.417000 1.0080 0 + 7402 WT0 5013 TIP3 H2 HT 0.417000 1.0080 0 + 7403 WT0 5019 TIP3 OH2 OT -0.834000 15.9994 0 + 7404 WT0 5019 TIP3 H1 HT 0.417000 1.0080 0 + 7405 WT0 5019 TIP3 H2 HT 0.417000 1.0080 0 + 7406 WT0 5021 TIP3 OH2 OT -0.834000 15.9994 0 + 7407 WT0 5021 TIP3 H1 HT 0.417000 1.0080 0 + 7408 WT0 5021 TIP3 H2 HT 0.417000 1.0080 0 + 7409 WT0 5023 TIP3 OH2 OT -0.834000 15.9994 0 + 7410 WT0 5023 TIP3 H1 HT 0.417000 1.0080 0 + 7411 WT0 5023 TIP3 H2 HT 0.417000 1.0080 0 + 7412 WT0 5026 TIP3 OH2 OT -0.834000 15.9994 0 + 7413 WT0 5026 TIP3 H1 HT 0.417000 1.0080 0 + 7414 WT0 5026 TIP3 H2 HT 0.417000 1.0080 0 + 7415 WT0 5028 TIP3 OH2 OT -0.834000 15.9994 0 + 7416 WT0 5028 TIP3 H1 HT 0.417000 1.0080 0 + 7417 WT0 5028 TIP3 H2 HT 0.417000 1.0080 0 + 7418 WT0 5029 TIP3 OH2 OT -0.834000 15.9994 0 + 7419 WT0 5029 TIP3 H1 HT 0.417000 1.0080 0 + 7420 WT0 5029 TIP3 H2 HT 0.417000 1.0080 0 + 7421 WT0 5030 TIP3 OH2 OT -0.834000 15.9994 0 + 7422 WT0 5030 TIP3 H1 HT 0.417000 1.0080 0 + 7423 WT0 5030 TIP3 H2 HT 0.417000 1.0080 0 + 7424 WT0 5034 TIP3 OH2 OT -0.834000 15.9994 0 + 7425 WT0 5034 TIP3 H1 HT 0.417000 1.0080 0 + 7426 WT0 5034 TIP3 H2 HT 0.417000 1.0080 0 + 7427 WT0 5042 TIP3 OH2 OT -0.834000 15.9994 0 + 7428 WT0 5042 TIP3 H1 HT 0.417000 1.0080 0 + 7429 WT0 5042 TIP3 H2 HT 0.417000 1.0080 0 + 7430 WT0 5043 TIP3 OH2 OT -0.834000 15.9994 0 + 7431 WT0 5043 TIP3 H1 HT 0.417000 1.0080 0 + 7432 WT0 5043 TIP3 H2 HT 0.417000 1.0080 0 + 7433 WT0 5044 TIP3 OH2 OT -0.834000 15.9994 0 + 7434 WT0 5044 TIP3 H1 HT 0.417000 1.0080 0 + 7435 WT0 5044 TIP3 H2 HT 0.417000 1.0080 0 + 7436 WT0 5045 TIP3 OH2 OT -0.834000 15.9994 0 + 7437 WT0 5045 TIP3 H1 HT 0.417000 1.0080 0 + 7438 WT0 5045 TIP3 H2 HT 0.417000 1.0080 0 + 7439 WT0 5047 TIP3 OH2 OT -0.834000 15.9994 0 + 7440 WT0 5047 TIP3 H1 HT 0.417000 1.0080 0 + 7441 WT0 5047 TIP3 H2 HT 0.417000 1.0080 0 + 7442 WT0 5048 TIP3 OH2 OT -0.834000 15.9994 0 + 7443 WT0 5048 TIP3 H1 HT 0.417000 1.0080 0 + 7444 WT0 5048 TIP3 H2 HT 0.417000 1.0080 0 + 7445 WT0 5049 TIP3 OH2 OT -0.834000 15.9994 0 + 7446 WT0 5049 TIP3 H1 HT 0.417000 1.0080 0 + 7447 WT0 5049 TIP3 H2 HT 0.417000 1.0080 0 + 7448 WT0 5050 TIP3 OH2 OT -0.834000 15.9994 0 + 7449 WT0 5050 TIP3 H1 HT 0.417000 1.0080 0 + 7450 WT0 5050 TIP3 H2 HT 0.417000 1.0080 0 + 7451 WT0 5052 TIP3 OH2 OT -0.834000 15.9994 0 + 7452 WT0 5052 TIP3 H1 HT 0.417000 1.0080 0 + 7453 WT0 5052 TIP3 H2 HT 0.417000 1.0080 0 + 7454 WT0 5053 TIP3 OH2 OT -0.834000 15.9994 0 + 7455 WT0 5053 TIP3 H1 HT 0.417000 1.0080 0 + 7456 WT0 5053 TIP3 H2 HT 0.417000 1.0080 0 + 7457 WT0 5055 TIP3 OH2 OT -0.834000 15.9994 0 + 7458 WT0 5055 TIP3 H1 HT 0.417000 1.0080 0 + 7459 WT0 5055 TIP3 H2 HT 0.417000 1.0080 0 + 7460 WT0 5056 TIP3 OH2 OT -0.834000 15.9994 0 + 7461 WT0 5056 TIP3 H1 HT 0.417000 1.0080 0 + 7462 WT0 5056 TIP3 H2 HT 0.417000 1.0080 0 + 7463 WT0 5059 TIP3 OH2 OT -0.834000 15.9994 0 + 7464 WT0 5059 TIP3 H1 HT 0.417000 1.0080 0 + 7465 WT0 5059 TIP3 H2 HT 0.417000 1.0080 0 + 7466 WT0 5060 TIP3 OH2 OT -0.834000 15.9994 0 + 7467 WT0 5060 TIP3 H1 HT 0.417000 1.0080 0 + 7468 WT0 5060 TIP3 H2 HT 0.417000 1.0080 0 + 7469 WT0 5061 TIP3 OH2 OT -0.834000 15.9994 0 + 7470 WT0 5061 TIP3 H1 HT 0.417000 1.0080 0 + 7471 WT0 5061 TIP3 H2 HT 0.417000 1.0080 0 + 7472 WT0 5062 TIP3 OH2 OT -0.834000 15.9994 0 + 7473 WT0 5062 TIP3 H1 HT 0.417000 1.0080 0 + 7474 WT0 5062 TIP3 H2 HT 0.417000 1.0080 0 + 7475 WT0 5063 TIP3 OH2 OT -0.834000 15.9994 0 + 7476 WT0 5063 TIP3 H1 HT 0.417000 1.0080 0 + 7477 WT0 5063 TIP3 H2 HT 0.417000 1.0080 0 + 7478 WT0 5064 TIP3 OH2 OT -0.834000 15.9994 0 + 7479 WT0 5064 TIP3 H1 HT 0.417000 1.0080 0 + 7480 WT0 5064 TIP3 H2 HT 0.417000 1.0080 0 + 7481 WT0 5065 TIP3 OH2 OT -0.834000 15.9994 0 + 7482 WT0 5065 TIP3 H1 HT 0.417000 1.0080 0 + 7483 WT0 5065 TIP3 H2 HT 0.417000 1.0080 0 + 7484 WT0 5066 TIP3 OH2 OT -0.834000 15.9994 0 + 7485 WT0 5066 TIP3 H1 HT 0.417000 1.0080 0 + 7486 WT0 5066 TIP3 H2 HT 0.417000 1.0080 0 + 7487 WT0 5067 TIP3 OH2 OT -0.834000 15.9994 0 + 7488 WT0 5067 TIP3 H1 HT 0.417000 1.0080 0 + 7489 WT0 5067 TIP3 H2 HT 0.417000 1.0080 0 + 7490 WT0 5068 TIP3 OH2 OT -0.834000 15.9994 0 + 7491 WT0 5068 TIP3 H1 HT 0.417000 1.0080 0 + 7492 WT0 5068 TIP3 H2 HT 0.417000 1.0080 0 + 7493 WT0 5069 TIP3 OH2 OT -0.834000 15.9994 0 + 7494 WT0 5069 TIP3 H1 HT 0.417000 1.0080 0 + 7495 WT0 5069 TIP3 H2 HT 0.417000 1.0080 0 + 7496 WT0 5071 TIP3 OH2 OT -0.834000 15.9994 0 + 7497 WT0 5071 TIP3 H1 HT 0.417000 1.0080 0 + 7498 WT0 5071 TIP3 H2 HT 0.417000 1.0080 0 + 7499 WT0 5073 TIP3 OH2 OT -0.834000 15.9994 0 + 7500 WT0 5073 TIP3 H1 HT 0.417000 1.0080 0 + 7501 WT0 5073 TIP3 H2 HT 0.417000 1.0080 0 + 7502 WT0 5075 TIP3 OH2 OT -0.834000 15.9994 0 + 7503 WT0 5075 TIP3 H1 HT 0.417000 1.0080 0 + 7504 WT0 5075 TIP3 H2 HT 0.417000 1.0080 0 + 7505 WT0 5079 TIP3 OH2 OT -0.834000 15.9994 0 + 7506 WT0 5079 TIP3 H1 HT 0.417000 1.0080 0 + 7507 WT0 5079 TIP3 H2 HT 0.417000 1.0080 0 + 7508 WT0 5085 TIP3 OH2 OT -0.834000 15.9994 0 + 7509 WT0 5085 TIP3 H1 HT 0.417000 1.0080 0 + 7510 WT0 5085 TIP3 H2 HT 0.417000 1.0080 0 + 7511 WT0 5086 TIP3 OH2 OT -0.834000 15.9994 0 + 7512 WT0 5086 TIP3 H1 HT 0.417000 1.0080 0 + 7513 WT0 5086 TIP3 H2 HT 0.417000 1.0080 0 + 7514 WT0 5087 TIP3 OH2 OT -0.834000 15.9994 0 + 7515 WT0 5087 TIP3 H1 HT 0.417000 1.0080 0 + 7516 WT0 5087 TIP3 H2 HT 0.417000 1.0080 0 + 7517 WT0 5088 TIP3 OH2 OT -0.834000 15.9994 0 + 7518 WT0 5088 TIP3 H1 HT 0.417000 1.0080 0 + 7519 WT0 5088 TIP3 H2 HT 0.417000 1.0080 0 + 7520 WT0 5089 TIP3 OH2 OT -0.834000 15.9994 0 + 7521 WT0 5089 TIP3 H1 HT 0.417000 1.0080 0 + 7522 WT0 5089 TIP3 H2 HT 0.417000 1.0080 0 + 7523 WT0 5090 TIP3 OH2 OT -0.834000 15.9994 0 + 7524 WT0 5090 TIP3 H1 HT 0.417000 1.0080 0 + 7525 WT0 5090 TIP3 H2 HT 0.417000 1.0080 0 + 7526 WT0 5091 TIP3 OH2 OT -0.834000 15.9994 0 + 7527 WT0 5091 TIP3 H1 HT 0.417000 1.0080 0 + 7528 WT0 5091 TIP3 H2 HT 0.417000 1.0080 0 + 7529 WT0 5092 TIP3 OH2 OT -0.834000 15.9994 0 + 7530 WT0 5092 TIP3 H1 HT 0.417000 1.0080 0 + 7531 WT0 5092 TIP3 H2 HT 0.417000 1.0080 0 + 7532 WT0 5093 TIP3 OH2 OT -0.834000 15.9994 0 + 7533 WT0 5093 TIP3 H1 HT 0.417000 1.0080 0 + 7534 WT0 5093 TIP3 H2 HT 0.417000 1.0080 0 + 7535 WT0 5094 TIP3 OH2 OT -0.834000 15.9994 0 + 7536 WT0 5094 TIP3 H1 HT 0.417000 1.0080 0 + 7537 WT0 5094 TIP3 H2 HT 0.417000 1.0080 0 + 7538 WT0 5095 TIP3 OH2 OT -0.834000 15.9994 0 + 7539 WT0 5095 TIP3 H1 HT 0.417000 1.0080 0 + 7540 WT0 5095 TIP3 H2 HT 0.417000 1.0080 0 + 7541 WT0 5097 TIP3 OH2 OT -0.834000 15.9994 0 + 7542 WT0 5097 TIP3 H1 HT 0.417000 1.0080 0 + 7543 WT0 5097 TIP3 H2 HT 0.417000 1.0080 0 + 7544 WT0 5099 TIP3 OH2 OT -0.834000 15.9994 0 + 7545 WT0 5099 TIP3 H1 HT 0.417000 1.0080 0 + 7546 WT0 5099 TIP3 H2 HT 0.417000 1.0080 0 + 7547 WT0 5104 TIP3 OH2 OT -0.834000 15.9994 0 + 7548 WT0 5104 TIP3 H1 HT 0.417000 1.0080 0 + 7549 WT0 5104 TIP3 H2 HT 0.417000 1.0080 0 + 7550 WT0 5106 TIP3 OH2 OT -0.834000 15.9994 0 + 7551 WT0 5106 TIP3 H1 HT 0.417000 1.0080 0 + 7552 WT0 5106 TIP3 H2 HT 0.417000 1.0080 0 + 7553 WT0 5108 TIP3 OH2 OT -0.834000 15.9994 0 + 7554 WT0 5108 TIP3 H1 HT 0.417000 1.0080 0 + 7555 WT0 5108 TIP3 H2 HT 0.417000 1.0080 0 + 7556 WT0 5109 TIP3 OH2 OT -0.834000 15.9994 0 + 7557 WT0 5109 TIP3 H1 HT 0.417000 1.0080 0 + 7558 WT0 5109 TIP3 H2 HT 0.417000 1.0080 0 + 7559 WT0 5110 TIP3 OH2 OT -0.834000 15.9994 0 + 7560 WT0 5110 TIP3 H1 HT 0.417000 1.0080 0 + 7561 WT0 5110 TIP3 H2 HT 0.417000 1.0080 0 + 7562 WT0 5111 TIP3 OH2 OT -0.834000 15.9994 0 + 7563 WT0 5111 TIP3 H1 HT 0.417000 1.0080 0 + 7564 WT0 5111 TIP3 H2 HT 0.417000 1.0080 0 + 7565 WT0 5112 TIP3 OH2 OT -0.834000 15.9994 0 + 7566 WT0 5112 TIP3 H1 HT 0.417000 1.0080 0 + 7567 WT0 5112 TIP3 H2 HT 0.417000 1.0080 0 + 7568 WT0 5114 TIP3 OH2 OT -0.834000 15.9994 0 + 7569 WT0 5114 TIP3 H1 HT 0.417000 1.0080 0 + 7570 WT0 5114 TIP3 H2 HT 0.417000 1.0080 0 + 7571 WT0 5116 TIP3 OH2 OT -0.834000 15.9994 0 + 7572 WT0 5116 TIP3 H1 HT 0.417000 1.0080 0 + 7573 WT0 5116 TIP3 H2 HT 0.417000 1.0080 0 + 7574 WT0 5117 TIP3 OH2 OT -0.834000 15.9994 0 + 7575 WT0 5117 TIP3 H1 HT 0.417000 1.0080 0 + 7576 WT0 5117 TIP3 H2 HT 0.417000 1.0080 0 + 7577 WT0 5118 TIP3 OH2 OT -0.834000 15.9994 0 + 7578 WT0 5118 TIP3 H1 HT 0.417000 1.0080 0 + 7579 WT0 5118 TIP3 H2 HT 0.417000 1.0080 0 + 7580 WT0 5119 TIP3 OH2 OT -0.834000 15.9994 0 + 7581 WT0 5119 TIP3 H1 HT 0.417000 1.0080 0 + 7582 WT0 5119 TIP3 H2 HT 0.417000 1.0080 0 + 7583 WT0 5121 TIP3 OH2 OT -0.834000 15.9994 0 + 7584 WT0 5121 TIP3 H1 HT 0.417000 1.0080 0 + 7585 WT0 5121 TIP3 H2 HT 0.417000 1.0080 0 + 7586 WT0 5125 TIP3 OH2 OT -0.834000 15.9994 0 + 7587 WT0 5125 TIP3 H1 HT 0.417000 1.0080 0 + 7588 WT0 5125 TIP3 H2 HT 0.417000 1.0080 0 + 7589 WT0 5127 TIP3 OH2 OT -0.834000 15.9994 0 + 7590 WT0 5127 TIP3 H1 HT 0.417000 1.0080 0 + 7591 WT0 5127 TIP3 H2 HT 0.417000 1.0080 0 + 7592 WT0 5130 TIP3 OH2 OT -0.834000 15.9994 0 + 7593 WT0 5130 TIP3 H1 HT 0.417000 1.0080 0 + 7594 WT0 5130 TIP3 H2 HT 0.417000 1.0080 0 + 7595 WT0 5131 TIP3 OH2 OT -0.834000 15.9994 0 + 7596 WT0 5131 TIP3 H1 HT 0.417000 1.0080 0 + 7597 WT0 5131 TIP3 H2 HT 0.417000 1.0080 0 + 7598 WT0 5134 TIP3 OH2 OT -0.834000 15.9994 0 + 7599 WT0 5134 TIP3 H1 HT 0.417000 1.0080 0 + 7600 WT0 5134 TIP3 H2 HT 0.417000 1.0080 0 + 7601 WT0 5135 TIP3 OH2 OT -0.834000 15.9994 0 + 7602 WT0 5135 TIP3 H1 HT 0.417000 1.0080 0 + 7603 WT0 5135 TIP3 H2 HT 0.417000 1.0080 0 + 7604 WT0 5136 TIP3 OH2 OT -0.834000 15.9994 0 + 7605 WT0 5136 TIP3 H1 HT 0.417000 1.0080 0 + 7606 WT0 5136 TIP3 H2 HT 0.417000 1.0080 0 + 7607 WT0 5137 TIP3 OH2 OT 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5153 TIP3 H1 HT 0.417000 1.0080 0 + 7630 WT0 5153 TIP3 H2 HT 0.417000 1.0080 0 + 7631 WT0 5154 TIP3 OH2 OT -0.834000 15.9994 0 + 7632 WT0 5154 TIP3 H1 HT 0.417000 1.0080 0 + 7633 WT0 5154 TIP3 H2 HT 0.417000 1.0080 0 + 7634 WT0 5155 TIP3 OH2 OT -0.834000 15.9994 0 + 7635 WT0 5155 TIP3 H1 HT 0.417000 1.0080 0 + 7636 WT0 5155 TIP3 H2 HT 0.417000 1.0080 0 + 7637 WT0 5157 TIP3 OH2 OT -0.834000 15.9994 0 + 7638 WT0 5157 TIP3 H1 HT 0.417000 1.0080 0 + 7639 WT0 5157 TIP3 H2 HT 0.417000 1.0080 0 + 7640 WT0 5158 TIP3 OH2 OT -0.834000 15.9994 0 + 7641 WT0 5158 TIP3 H1 HT 0.417000 1.0080 0 + 7642 WT0 5158 TIP3 H2 HT 0.417000 1.0080 0 + 7643 WT0 5161 TIP3 OH2 OT -0.834000 15.9994 0 + 7644 WT0 5161 TIP3 H1 HT 0.417000 1.0080 0 + 7645 WT0 5161 TIP3 H2 HT 0.417000 1.0080 0 + 7646 WT0 5162 TIP3 OH2 OT -0.834000 15.9994 0 + 7647 WT0 5162 TIP3 H1 HT 0.417000 1.0080 0 + 7648 WT0 5162 TIP3 H2 HT 0.417000 1.0080 0 + 7649 WT0 5164 TIP3 OH2 OT -0.834000 15.9994 0 + 7650 WT0 5164 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 7673 WT0 5196 TIP3 OH2 OT -0.834000 15.9994 0 + 7674 WT0 5196 TIP3 H1 HT 0.417000 1.0080 0 + 7675 WT0 5196 TIP3 H2 HT 0.417000 1.0080 0 + 7676 WT0 5218 TIP3 OH2 OT -0.834000 15.9994 0 + 7677 WT0 5218 TIP3 H1 HT 0.417000 1.0080 0 + 7678 WT0 5218 TIP3 H2 HT 0.417000 1.0080 0 + 7679 WT0 5221 TIP3 OH2 OT -0.834000 15.9994 0 + 7680 WT0 5221 TIP3 H1 HT 0.417000 1.0080 0 + 7681 WT0 5221 TIP3 H2 HT 0.417000 1.0080 0 + 7682 WT0 5234 TIP3 OH2 OT -0.834000 15.9994 0 + 7683 WT0 5234 TIP3 H1 HT 0.417000 1.0080 0 + 7684 WT0 5234 TIP3 H2 HT 0.417000 1.0080 0 + 7685 WT0 5241 TIP3 OH2 OT -0.834000 15.9994 0 + 7686 WT0 5241 TIP3 H1 HT 0.417000 1.0080 0 + 7687 WT0 5241 TIP3 H2 HT 0.417000 1.0080 0 + 7688 WT0 5242 TIP3 OH2 OT -0.834000 15.9994 0 + 7689 WT0 5242 TIP3 H1 HT 0.417000 1.0080 0 + 7690 WT0 5242 TIP3 H2 HT 0.417000 1.0080 0 + 7691 WT0 5251 TIP3 OH2 OT -0.834000 15.9994 0 + 7692 WT0 5251 TIP3 H1 HT 0.417000 1.0080 0 + 7693 WT0 5251 TIP3 H2 HT 0.417000 1.0080 0 + 7694 WT0 5253 TIP3 OH2 OT -0.834000 15.9994 0 + 7695 WT0 5253 TIP3 H1 HT 0.417000 1.0080 0 + 7696 WT0 5253 TIP3 H2 HT 0.417000 1.0080 0 + 7697 WT0 5259 TIP3 OH2 OT -0.834000 15.9994 0 + 7698 WT0 5259 TIP3 H1 HT 0.417000 1.0080 0 + 7699 WT0 5259 TIP3 H2 HT 0.417000 1.0080 0 + 7700 WT0 5260 TIP3 OH2 OT -0.834000 15.9994 0 + 7701 WT0 5260 TIP3 H1 HT 0.417000 1.0080 0 + 7702 WT0 5260 TIP3 H2 HT 0.417000 1.0080 0 + 7703 WT0 5263 TIP3 OH2 OT -0.834000 15.9994 0 + 7704 WT0 5263 TIP3 H1 HT 0.417000 1.0080 0 + 7705 WT0 5263 TIP3 H2 HT 0.417000 1.0080 0 + 7706 WT0 5264 TIP3 OH2 OT -0.834000 15.9994 0 + 7707 WT0 5264 TIP3 H1 HT 0.417000 1.0080 0 + 7708 WT0 5264 TIP3 H2 HT 0.417000 1.0080 0 + 7709 WT0 5266 TIP3 OH2 OT -0.834000 15.9994 0 + 7710 WT0 5266 TIP3 H1 HT 0.417000 1.0080 0 + 7711 WT0 5266 TIP3 H2 HT 0.417000 1.0080 0 + 7712 WT0 5267 TIP3 OH2 OT -0.834000 15.9994 0 + 7713 WT0 5267 TIP3 H1 HT 0.417000 1.0080 0 + 7714 WT0 5267 TIP3 H2 HT 0.417000 1.0080 0 + 7715 WT0 5271 TIP3 OH2 OT -0.834000 15.9994 0 + 7716 WT0 5271 TIP3 H1 HT 0.417000 1.0080 0 + 7717 WT0 5271 TIP3 H2 HT 0.417000 1.0080 0 + 7718 WT0 5272 TIP3 OH2 OT -0.834000 15.9994 0 + 7719 WT0 5272 TIP3 H1 HT 0.417000 1.0080 0 + 7720 WT0 5272 TIP3 H2 HT 0.417000 1.0080 0 + 7721 WT0 5284 TIP3 OH2 OT -0.834000 15.9994 0 + 7722 WT0 5284 TIP3 H1 HT 0.417000 1.0080 0 + 7723 WT0 5284 TIP3 H2 HT 0.417000 1.0080 0 + 7724 WT0 5285 TIP3 OH2 OT -0.834000 15.9994 0 + 7725 WT0 5285 TIP3 H1 HT 0.417000 1.0080 0 + 7726 WT0 5285 TIP3 H2 HT 0.417000 1.0080 0 + 7727 WT0 5296 TIP3 OH2 OT -0.834000 15.9994 0 + 7728 WT0 5296 TIP3 H1 HT 0.417000 1.0080 0 + 7729 WT0 5296 TIP3 H2 HT 0.417000 1.0080 0 + 7730 WT0 5298 TIP3 OH2 OT -0.834000 15.9994 0 + 7731 WT0 5298 TIP3 H1 HT 0.417000 1.0080 0 + 7732 WT0 5298 TIP3 H2 HT 0.417000 1.0080 0 + 7733 WT0 5302 TIP3 OH2 OT -0.834000 15.9994 0 + 7734 WT0 5302 TIP3 H1 HT 0.417000 1.0080 0 + 7735 WT0 5302 TIP3 H2 HT 0.417000 1.0080 0 + 7736 WT0 5304 TIP3 OH2 OT -0.834000 15.9994 0 + 7737 WT0 5304 TIP3 H1 HT 0.417000 1.0080 0 + 7738 WT0 5304 TIP3 H2 HT 0.417000 1.0080 0 + 7739 WT0 5306 TIP3 OH2 OT -0.834000 15.9994 0 + 7740 WT0 5306 TIP3 H1 HT 0.417000 1.0080 0 + 7741 WT0 5306 TIP3 H2 HT 0.417000 1.0080 0 + 7742 WT0 5317 TIP3 OH2 OT -0.834000 15.9994 0 + 7743 WT0 5317 TIP3 H1 HT 0.417000 1.0080 0 + 7744 WT0 5317 TIP3 H2 HT 0.417000 1.0080 0 + 7745 WT0 5318 TIP3 OH2 OT -0.834000 15.9994 0 + 7746 WT0 5318 TIP3 H1 HT 0.417000 1.0080 0 + 7747 WT0 5318 TIP3 H2 HT 0.417000 1.0080 0 + 7748 WT0 5319 TIP3 OH2 OT -0.834000 15.9994 0 + 7749 WT0 5319 TIP3 H1 HT 0.417000 1.0080 0 + 7750 WT0 5319 TIP3 H2 HT 0.417000 1.0080 0 + 7751 WT0 5320 TIP3 OH2 OT -0.834000 15.9994 0 + 7752 WT0 5320 TIP3 H1 HT 0.417000 1.0080 0 + 7753 WT0 5320 TIP3 H2 HT 0.417000 1.0080 0 + 7754 WT0 5322 TIP3 OH2 OT -0.834000 15.9994 0 + 7755 WT0 5322 TIP3 H1 HT 0.417000 1.0080 0 + 7756 WT0 5322 TIP3 H2 HT 0.417000 1.0080 0 + 7757 WT0 5323 TIP3 OH2 OT -0.834000 15.9994 0 + 7758 WT0 5323 TIP3 H1 HT 0.417000 1.0080 0 + 7759 WT0 5323 TIP3 H2 HT 0.417000 1.0080 0 + 7760 WT0 5325 TIP3 OH2 OT -0.834000 15.9994 0 + 7761 WT0 5325 TIP3 H1 HT 0.417000 1.0080 0 + 7762 WT0 5325 TIP3 H2 HT 0.417000 1.0080 0 + 7763 WT0 5327 TIP3 OH2 OT -0.834000 15.9994 0 + 7764 WT0 5327 TIP3 H1 HT 0.417000 1.0080 0 + 7765 WT0 5327 TIP3 H2 HT 0.417000 1.0080 0 + 7766 WT0 5341 TIP3 OH2 OT -0.834000 15.9994 0 + 7767 WT0 5341 TIP3 H1 HT 0.417000 1.0080 0 + 7768 WT0 5341 TIP3 H2 HT 0.417000 1.0080 0 + 7769 WT0 5343 TIP3 OH2 OT -0.834000 15.9994 0 + 7770 WT0 5343 TIP3 H1 HT 0.417000 1.0080 0 + 7771 WT0 5343 TIP3 H2 HT 0.417000 1.0080 0 + 7772 WT0 5344 TIP3 OH2 OT -0.834000 15.9994 0 + 7773 WT0 5344 TIP3 H1 HT 0.417000 1.0080 0 + 7774 WT0 5344 TIP3 H2 HT 0.417000 1.0080 0 + 7775 WT0 5348 TIP3 OH2 OT -0.834000 15.9994 0 + 7776 WT0 5348 TIP3 H1 HT 0.417000 1.0080 0 + 7777 WT0 5348 TIP3 H2 HT 0.417000 1.0080 0 + 7778 WT0 5349 TIP3 OH2 OT -0.834000 15.9994 0 + 7779 WT0 5349 TIP3 H1 HT 0.417000 1.0080 0 + 7780 WT0 5349 TIP3 H2 HT 0.417000 1.0080 0 + 7781 WT0 5350 TIP3 OH2 OT -0.834000 15.9994 0 + 7782 WT0 5350 TIP3 H1 HT 0.417000 1.0080 0 + 7783 WT0 5350 TIP3 H2 HT 0.417000 1.0080 0 + 7784 WT0 5355 TIP3 OH2 OT -0.834000 15.9994 0 + 7785 WT0 5355 TIP3 H1 HT 0.417000 1.0080 0 + 7786 WT0 5355 TIP3 H2 HT 0.417000 1.0080 0 + 7787 WT0 5356 TIP3 OH2 OT -0.834000 15.9994 0 + 7788 WT0 5356 TIP3 H1 HT 0.417000 1.0080 0 + 7789 WT0 5356 TIP3 H2 HT 0.417000 1.0080 0 + 7790 WT0 5357 TIP3 OH2 OT -0.834000 15.9994 0 + 7791 WT0 5357 TIP3 H1 HT 0.417000 1.0080 0 + 7792 WT0 5357 TIP3 H2 HT 0.417000 1.0080 0 + 7793 WT0 5358 TIP3 OH2 OT -0.834000 15.9994 0 + 7794 WT0 5358 TIP3 H1 HT 0.417000 1.0080 0 + 7795 WT0 5358 TIP3 H2 HT 0.417000 1.0080 0 + 7796 WT0 5360 TIP3 OH2 OT -0.834000 15.9994 0 + 7797 WT0 5360 TIP3 H1 HT 0.417000 1.0080 0 + 7798 WT0 5360 TIP3 H2 HT 0.417000 1.0080 0 + 7799 WT0 5365 TIP3 OH2 OT -0.834000 15.9994 0 + 7800 WT0 5365 TIP3 H1 HT 0.417000 1.0080 0 + 7801 WT0 5365 TIP3 H2 HT 0.417000 1.0080 0 + 7802 WT0 5366 TIP3 OH2 OT -0.834000 15.9994 0 + 7803 WT0 5366 TIP3 H1 HT 0.417000 1.0080 0 + 7804 WT0 5366 TIP3 H2 HT 0.417000 1.0080 0 + 7805 WT0 5368 TIP3 OH2 OT -0.834000 15.9994 0 + 7806 WT0 5368 TIP3 H1 HT 0.417000 1.0080 0 + 7807 WT0 5368 TIP3 H2 HT 0.417000 1.0080 0 + 7808 WT0 5369 TIP3 OH2 OT -0.834000 15.9994 0 + 7809 WT0 5369 TIP3 H1 HT 0.417000 1.0080 0 + 7810 WT0 5369 TIP3 H2 HT 0.417000 1.0080 0 + 7811 WT0 5370 TIP3 OH2 OT -0.834000 15.9994 0 + 7812 WT0 5370 TIP3 H1 HT 0.417000 1.0080 0 + 7813 WT0 5370 TIP3 H2 HT 0.417000 1.0080 0 + 7814 WT0 5371 TIP3 OH2 OT -0.834000 15.9994 0 + 7815 WT0 5371 TIP3 H1 HT 0.417000 1.0080 0 + 7816 WT0 5371 TIP3 H2 HT 0.417000 1.0080 0 + 7817 WT0 5372 TIP3 OH2 OT -0.834000 15.9994 0 + 7818 WT0 5372 TIP3 H1 HT 0.417000 1.0080 0 + 7819 WT0 5372 TIP3 H2 HT 0.417000 1.0080 0 + 7820 WT0 5375 TIP3 OH2 OT -0.834000 15.9994 0 + 7821 WT0 5375 TIP3 H1 HT 0.417000 1.0080 0 + 7822 WT0 5375 TIP3 H2 HT 0.417000 1.0080 0 + 7823 WT0 5377 TIP3 OH2 OT -0.834000 15.9994 0 + 7824 WT0 5377 TIP3 H1 HT 0.417000 1.0080 0 + 7825 WT0 5377 TIP3 H2 HT 0.417000 1.0080 0 + 7826 WT0 5378 TIP3 OH2 OT -0.834000 15.9994 0 + 7827 WT0 5378 TIP3 H1 HT 0.417000 1.0080 0 + 7828 WT0 5378 TIP3 H2 HT 0.417000 1.0080 0 + 7829 WT0 5379 TIP3 OH2 OT -0.834000 15.9994 0 + 7830 WT0 5379 TIP3 H1 HT 0.417000 1.0080 0 + 7831 WT0 5379 TIP3 H2 HT 0.417000 1.0080 0 + 7832 WT0 5380 TIP3 OH2 OT -0.834000 15.9994 0 + 7833 WT0 5380 TIP3 H1 HT 0.417000 1.0080 0 + 7834 WT0 5380 TIP3 H2 HT 0.417000 1.0080 0 + 7835 WT0 5381 TIP3 OH2 OT -0.834000 15.9994 0 + 7836 WT0 5381 TIP3 H1 HT 0.417000 1.0080 0 + 7837 WT0 5381 TIP3 H2 HT 0.417000 1.0080 0 + 7838 WT0 5382 TIP3 OH2 OT -0.834000 15.9994 0 + 7839 WT0 5382 TIP3 H1 HT 0.417000 1.0080 0 + 7840 WT0 5382 TIP3 H2 HT 0.417000 1.0080 0 + 7841 WT0 5383 TIP3 OH2 OT -0.834000 15.9994 0 + 7842 WT0 5383 TIP3 H1 HT 0.417000 1.0080 0 + 7843 WT0 5383 TIP3 H2 HT 0.417000 1.0080 0 + 7844 WT0 5384 TIP3 OH2 OT -0.834000 15.9994 0 + 7845 WT0 5384 TIP3 H1 HT 0.417000 1.0080 0 + 7846 WT0 5384 TIP3 H2 HT 0.417000 1.0080 0 + 7847 WT0 5389 TIP3 OH2 OT -0.834000 15.9994 0 + 7848 WT0 5389 TIP3 H1 HT 0.417000 1.0080 0 + 7849 WT0 5389 TIP3 H2 HT 0.417000 1.0080 0 + 7850 WT0 5390 TIP3 OH2 OT -0.834000 15.9994 0 + 7851 WT0 5390 TIP3 H1 HT 0.417000 1.0080 0 + 7852 WT0 5390 TIP3 H2 HT 0.417000 1.0080 0 + 7853 WT0 5392 TIP3 OH2 OT -0.834000 15.9994 0 + 7854 WT0 5392 TIP3 H1 HT 0.417000 1.0080 0 + 7855 WT0 5392 TIP3 H2 HT 0.417000 1.0080 0 + 7856 WT0 5393 TIP3 OH2 OT -0.834000 15.9994 0 + 7857 WT0 5393 TIP3 H1 HT 0.417000 1.0080 0 + 7858 WT0 5393 TIP3 H2 HT 0.417000 1.0080 0 + 7859 WT0 5394 TIP3 OH2 OT -0.834000 15.9994 0 + 7860 WT0 5394 TIP3 H1 HT 0.417000 1.0080 0 + 7861 WT0 5394 TIP3 H2 HT 0.417000 1.0080 0 + 7862 WT0 5396 TIP3 OH2 OT -0.834000 15.9994 0 + 7863 WT0 5396 TIP3 H1 HT 0.417000 1.0080 0 + 7864 WT0 5396 TIP3 H2 HT 0.417000 1.0080 0 + 7865 WT0 5399 TIP3 OH2 OT -0.834000 15.9994 0 + 7866 WT0 5399 TIP3 H1 HT 0.417000 1.0080 0 + 7867 WT0 5399 TIP3 H2 HT 0.417000 1.0080 0 + 7868 WT0 5401 TIP3 OH2 OT -0.834000 15.9994 0 + 7869 WT0 5401 TIP3 H1 HT 0.417000 1.0080 0 + 7870 WT0 5401 TIP3 H2 HT 0.417000 1.0080 0 + 7871 WT0 5402 TIP3 OH2 OT -0.834000 15.9994 0 + 7872 WT0 5402 TIP3 H1 HT 0.417000 1.0080 0 + 7873 WT0 5402 TIP3 H2 HT 0.417000 1.0080 0 + 7874 WT0 5403 TIP3 OH2 OT -0.834000 15.9994 0 + 7875 WT0 5403 TIP3 H1 HT 0.417000 1.0080 0 + 7876 WT0 5403 TIP3 H2 HT 0.417000 1.0080 0 + 7877 WT0 5404 TIP3 OH2 OT -0.834000 15.9994 0 + 7878 WT0 5404 TIP3 H1 HT 0.417000 1.0080 0 + 7879 WT0 5404 TIP3 H2 HT 0.417000 1.0080 0 + 7880 WT0 5406 TIP3 OH2 OT -0.834000 15.9994 0 + 7881 WT0 5406 TIP3 H1 HT 0.417000 1.0080 0 + 7882 WT0 5406 TIP3 H2 HT 0.417000 1.0080 0 + 7883 WT0 5410 TIP3 OH2 OT -0.834000 15.9994 0 + 7884 WT0 5410 TIP3 H1 HT 0.417000 1.0080 0 + 7885 WT0 5410 TIP3 H2 HT 0.417000 1.0080 0 + 7886 WT0 5411 TIP3 OH2 OT -0.834000 15.9994 0 + 7887 WT0 5411 TIP3 H1 HT 0.417000 1.0080 0 + 7888 WT0 5411 TIP3 H2 HT 0.417000 1.0080 0 + 7889 WT0 5412 TIP3 OH2 OT -0.834000 15.9994 0 + 7890 WT0 5412 TIP3 H1 HT 0.417000 1.0080 0 + 7891 WT0 5412 TIP3 H2 HT 0.417000 1.0080 0 + 7892 WT0 5413 TIP3 OH2 OT -0.834000 15.9994 0 + 7893 WT0 5413 TIP3 H1 HT 0.417000 1.0080 0 + 7894 WT0 5413 TIP3 H2 HT 0.417000 1.0080 0 + 7895 WT0 5418 TIP3 OH2 OT -0.834000 15.9994 0 + 7896 WT0 5418 TIP3 H1 HT 0.417000 1.0080 0 + 7897 WT0 5418 TIP3 H2 HT 0.417000 1.0080 0 + 7898 WT0 5419 TIP3 OH2 OT -0.834000 15.9994 0 + 7899 WT0 5419 TIP3 H1 HT 0.417000 1.0080 0 + 7900 WT0 5419 TIP3 H2 HT 0.417000 1.0080 0 + 7901 WT0 5420 TIP3 OH2 OT -0.834000 15.9994 0 + 7902 WT0 5420 TIP3 H1 HT 0.417000 1.0080 0 + 7903 WT0 5420 TIP3 H2 HT 0.417000 1.0080 0 + 7904 WT0 5421 TIP3 OH2 OT -0.834000 15.9994 0 + 7905 WT0 5421 TIP3 H1 HT 0.417000 1.0080 0 + 7906 WT0 5421 TIP3 H2 HT 0.417000 1.0080 0 + 7907 WT0 5424 TIP3 OH2 OT -0.834000 15.9994 0 + 7908 WT0 5424 TIP3 H1 HT 0.417000 1.0080 0 + 7909 WT0 5424 TIP3 H2 HT 0.417000 1.0080 0 + 7910 WT0 5425 TIP3 OH2 OT -0.834000 15.9994 0 + 7911 WT0 5425 TIP3 H1 HT 0.417000 1.0080 0 + 7912 WT0 5425 TIP3 H2 HT 0.417000 1.0080 0 + 7913 WT0 5426 TIP3 OH2 OT -0.834000 15.9994 0 + 7914 WT0 5426 TIP3 H1 HT 0.417000 1.0080 0 + 7915 WT0 5426 TIP3 H2 HT 0.417000 1.0080 0 + 7916 WT0 5427 TIP3 OH2 OT -0.834000 15.9994 0 + 7917 WT0 5427 TIP3 H1 HT 0.417000 1.0080 0 + 7918 WT0 5427 TIP3 H2 HT 0.417000 1.0080 0 + 7919 WT0 5428 TIP3 OH2 OT -0.834000 15.9994 0 + 7920 WT0 5428 TIP3 H1 HT 0.417000 1.0080 0 + 7921 WT0 5428 TIP3 H2 HT 0.417000 1.0080 0 + 7922 WT0 5429 TIP3 OH2 OT -0.834000 15.9994 0 + 7923 WT0 5429 TIP3 H1 HT 0.417000 1.0080 0 + 7924 WT0 5429 TIP3 H2 HT 0.417000 1.0080 0 + 7925 WT0 5431 TIP3 OH2 OT -0.834000 15.9994 0 + 7926 WT0 5431 TIP3 H1 HT 0.417000 1.0080 0 + 7927 WT0 5431 TIP3 H2 HT 0.417000 1.0080 0 + 7928 WT0 5434 TIP3 OH2 OT -0.834000 15.9994 0 + 7929 WT0 5434 TIP3 H1 HT 0.417000 1.0080 0 + 7930 WT0 5434 TIP3 H2 HT 0.417000 1.0080 0 + 7931 WT0 5440 TIP3 OH2 OT -0.834000 15.9994 0 + 7932 WT0 5440 TIP3 H1 HT 0.417000 1.0080 0 + 7933 WT0 5440 TIP3 H2 HT 0.417000 1.0080 0 + 7934 WT0 5442 TIP3 OH2 OT -0.834000 15.9994 0 + 7935 WT0 5442 TIP3 H1 HT 0.417000 1.0080 0 + 7936 WT0 5442 TIP3 H2 HT 0.417000 1.0080 0 + 7937 WT0 5444 TIP3 OH2 OT -0.834000 15.9994 0 + 7938 WT0 5444 TIP3 H1 HT 0.417000 1.0080 0 + 7939 WT0 5444 TIP3 H2 HT 0.417000 1.0080 0 + 7940 WT0 5445 TIP3 OH2 OT -0.834000 15.9994 0 + 7941 WT0 5445 TIP3 H1 HT 0.417000 1.0080 0 + 7942 WT0 5445 TIP3 H2 HT 0.417000 1.0080 0 + 7943 WT0 5448 TIP3 OH2 OT -0.834000 15.9994 0 + 7944 WT0 5448 TIP3 H1 HT 0.417000 1.0080 0 + 7945 WT0 5448 TIP3 H2 HT 0.417000 1.0080 0 + 7946 WT0 5451 TIP3 OH2 OT -0.834000 15.9994 0 + 7947 WT0 5451 TIP3 H1 HT 0.417000 1.0080 0 + 7948 WT0 5451 TIP3 H2 HT 0.417000 1.0080 0 + 7949 WT0 5452 TIP3 OH2 OT -0.834000 15.9994 0 + 7950 WT0 5452 TIP3 H1 HT 0.417000 1.0080 0 + 7951 WT0 5452 TIP3 H2 HT 0.417000 1.0080 0 + 7952 WT0 5453 TIP3 OH2 OT -0.834000 15.9994 0 + 7953 WT0 5453 TIP3 H1 HT 0.417000 1.0080 0 + 7954 WT0 5453 TIP3 H2 HT 0.417000 1.0080 0 + 7955 WT0 5454 TIP3 OH2 OT -0.834000 15.9994 0 + 7956 WT0 5454 TIP3 H1 HT 0.417000 1.0080 0 + 7957 WT0 5454 TIP3 H2 HT 0.417000 1.0080 0 + 7958 WT0 5455 TIP3 OH2 OT -0.834000 15.9994 0 + 7959 WT0 5455 TIP3 H1 HT 0.417000 1.0080 0 + 7960 WT0 5455 TIP3 H2 HT 0.417000 1.0080 0 + 7961 WT0 5457 TIP3 OH2 OT -0.834000 15.9994 0 + 7962 WT0 5457 TIP3 H1 HT 0.417000 1.0080 0 + 7963 WT0 5457 TIP3 H2 HT 0.417000 1.0080 0 + 7964 WT0 5460 TIP3 OH2 OT -0.834000 15.9994 0 + 7965 WT0 5460 TIP3 H1 HT 0.417000 1.0080 0 + 7966 WT0 5460 TIP3 H2 HT 0.417000 1.0080 0 + 7967 WT0 5461 TIP3 OH2 OT -0.834000 15.9994 0 + 7968 WT0 5461 TIP3 H1 HT 0.417000 1.0080 0 + 7969 WT0 5461 TIP3 H2 HT 0.417000 1.0080 0 + 7970 WT0 5462 TIP3 OH2 OT -0.834000 15.9994 0 + 7971 WT0 5462 TIP3 H1 HT 0.417000 1.0080 0 + 7972 WT0 5462 TIP3 H2 HT 0.417000 1.0080 0 + 7973 WT0 5463 TIP3 OH2 OT -0.834000 15.9994 0 + 7974 WT0 5463 TIP3 H1 HT 0.417000 1.0080 0 + 7975 WT0 5463 TIP3 H2 HT 0.417000 1.0080 0 + 7976 WT0 5465 TIP3 OH2 OT -0.834000 15.9994 0 + 7977 WT0 5465 TIP3 H1 HT 0.417000 1.0080 0 + 7978 WT0 5465 TIP3 H2 HT 0.417000 1.0080 0 + 7979 WT0 5466 TIP3 OH2 OT -0.834000 15.9994 0 + 7980 WT0 5466 TIP3 H1 HT 0.417000 1.0080 0 + 7981 WT0 5466 TIP3 H2 HT 0.417000 1.0080 0 + 7982 WT0 5467 TIP3 OH2 OT -0.834000 15.9994 0 + 7983 WT0 5467 TIP3 H1 HT 0.417000 1.0080 0 + 7984 WT0 5467 TIP3 H2 HT 0.417000 1.0080 0 + 7985 WT0 5468 TIP3 OH2 OT -0.834000 15.9994 0 + 7986 WT0 5468 TIP3 H1 HT 0.417000 1.0080 0 + 7987 WT0 5468 TIP3 H2 HT 0.417000 1.0080 0 + 7988 WT0 5473 TIP3 OH2 OT -0.834000 15.9994 0 + 7989 WT0 5473 TIP3 H1 HT 0.417000 1.0080 0 + 7990 WT0 5473 TIP3 H2 HT 0.417000 1.0080 0 + 7991 WT0 5488 TIP3 OH2 OT -0.834000 15.9994 0 + 7992 WT0 5488 TIP3 H1 HT 0.417000 1.0080 0 + 7993 WT0 5488 TIP3 H2 HT 0.417000 1.0080 0 + 7994 WT0 5491 TIP3 OH2 OT -0.834000 15.9994 0 + 7995 WT0 5491 TIP3 H1 HT 0.417000 1.0080 0 + 7996 WT0 5491 TIP3 H2 HT 0.417000 1.0080 0 + 7997 WT0 5492 TIP3 OH2 OT -0.834000 15.9994 0 + 7998 WT0 5492 TIP3 H1 HT 0.417000 1.0080 0 + 7999 WT0 5492 TIP3 H2 HT 0.417000 1.0080 0 + 8000 WT0 5493 TIP3 OH2 OT -0.834000 15.9994 0 + 8001 WT0 5493 TIP3 H1 HT 0.417000 1.0080 0 + 8002 WT0 5493 TIP3 H2 HT 0.417000 1.0080 0 + 8003 WT0 5496 TIP3 OH2 OT -0.834000 15.9994 0 + 8004 WT0 5496 TIP3 H1 HT 0.417000 1.0080 0 + 8005 WT0 5496 TIP3 H2 HT 0.417000 1.0080 0 + 8006 WT0 5497 TIP3 OH2 OT -0.834000 15.9994 0 + 8007 WT0 5497 TIP3 H1 HT 0.417000 1.0080 0 + 8008 WT0 5497 TIP3 H2 HT 0.417000 1.0080 0 + 8009 WT0 5501 TIP3 OH2 OT -0.834000 15.9994 0 + 8010 WT0 5501 TIP3 H1 HT 0.417000 1.0080 0 + 8011 WT0 5501 TIP3 H2 HT 0.417000 1.0080 0 + 8012 WT0 5502 TIP3 OH2 OT -0.834000 15.9994 0 + 8013 WT0 5502 TIP3 H1 HT 0.417000 1.0080 0 + 8014 WT0 5502 TIP3 H2 HT 0.417000 1.0080 0 + 8015 WT0 5504 TIP3 OH2 OT -0.834000 15.9994 0 + 8016 WT0 5504 TIP3 H1 HT 0.417000 1.0080 0 + 8017 WT0 5504 TIP3 H2 HT 0.417000 1.0080 0 + 8018 WT0 5505 TIP3 OH2 OT -0.834000 15.9994 0 + 8019 WT0 5505 TIP3 H1 HT 0.417000 1.0080 0 + 8020 WT0 5505 TIP3 H2 HT 0.417000 1.0080 0 + 8021 WT0 5506 TIP3 OH2 OT -0.834000 15.9994 0 + 8022 WT0 5506 TIP3 H1 HT 0.417000 1.0080 0 + 8023 WT0 5506 TIP3 H2 HT 0.417000 1.0080 0 + 8024 WT0 5507 TIP3 OH2 OT -0.834000 15.9994 0 + 8025 WT0 5507 TIP3 H1 HT 0.417000 1.0080 0 + 8026 WT0 5507 TIP3 H2 HT 0.417000 1.0080 0 + 8027 WT0 5508 TIP3 OH2 OT -0.834000 15.9994 0 + 8028 WT0 5508 TIP3 H1 HT 0.417000 1.0080 0 + 8029 WT0 5508 TIP3 H2 HT 0.417000 1.0080 0 + 8030 WT0 5509 TIP3 OH2 OT -0.834000 15.9994 0 + 8031 WT0 5509 TIP3 H1 HT 0.417000 1.0080 0 + 8032 WT0 5509 TIP3 H2 HT 0.417000 1.0080 0 + 8033 WT0 5510 TIP3 OH2 OT -0.834000 15.9994 0 + 8034 WT0 5510 TIP3 H1 HT 0.417000 1.0080 0 + 8035 WT0 5510 TIP3 H2 HT 0.417000 1.0080 0 + 8036 WT0 5511 TIP3 OH2 OT -0.834000 15.9994 0 + 8037 WT0 5511 TIP3 H1 HT 0.417000 1.0080 0 + 8038 WT0 5511 TIP3 H2 HT 0.417000 1.0080 0 + 8039 WT0 5513 TIP3 OH2 OT -0.834000 15.9994 0 + 8040 WT0 5513 TIP3 H1 HT 0.417000 1.0080 0 + 8041 WT0 5513 TIP3 H2 HT 0.417000 1.0080 0 + 8042 WT0 5515 TIP3 OH2 OT -0.834000 15.9994 0 + 8043 WT0 5515 TIP3 H1 HT 0.417000 1.0080 0 + 8044 WT0 5515 TIP3 H2 HT 0.417000 1.0080 0 + 8045 WT0 5516 TIP3 OH2 OT -0.834000 15.9994 0 + 8046 WT0 5516 TIP3 H1 HT 0.417000 1.0080 0 + 8047 WT0 5516 TIP3 H2 HT 0.417000 1.0080 0 + 8048 WT0 5518 TIP3 OH2 OT -0.834000 15.9994 0 + 8049 WT0 5518 TIP3 H1 HT 0.417000 1.0080 0 + 8050 WT0 5518 TIP3 H2 HT 0.417000 1.0080 0 + 8051 WT0 5520 TIP3 OH2 OT -0.834000 15.9994 0 + 8052 WT0 5520 TIP3 H1 HT 0.417000 1.0080 0 + 8053 WT0 5520 TIP3 H2 HT 0.417000 1.0080 0 + 8054 WT0 5522 TIP3 OH2 OT -0.834000 15.9994 0 + 8055 WT0 5522 TIP3 H1 HT 0.417000 1.0080 0 + 8056 WT0 5522 TIP3 H2 HT 0.417000 1.0080 0 + 8057 WT0 5526 TIP3 OH2 OT -0.834000 15.9994 0 + 8058 WT0 5526 TIP3 H1 HT 0.417000 1.0080 0 + 8059 WT0 5526 TIP3 H2 HT 0.417000 1.0080 0 + 8060 WT0 5527 TIP3 OH2 OT -0.834000 15.9994 0 + 8061 WT0 5527 TIP3 H1 HT 0.417000 1.0080 0 + 8062 WT0 5527 TIP3 H2 HT 0.417000 1.0080 0 + 8063 WT0 5529 TIP3 OH2 OT -0.834000 15.9994 0 + 8064 WT0 5529 TIP3 H1 HT 0.417000 1.0080 0 + 8065 WT0 5529 TIP3 H2 HT 0.417000 1.0080 0 + 8066 WT0 5530 TIP3 OH2 OT -0.834000 15.9994 0 + 8067 WT0 5530 TIP3 H1 HT 0.417000 1.0080 0 + 8068 WT0 5530 TIP3 H2 HT 0.417000 1.0080 0 + 8069 WT0 5532 TIP3 OH2 OT -0.834000 15.9994 0 + 8070 WT0 5532 TIP3 H1 HT 0.417000 1.0080 0 + 8071 WT0 5532 TIP3 H2 HT 0.417000 1.0080 0 + 8072 WT0 5534 TIP3 OH2 OT -0.834000 15.9994 0 + 8073 WT0 5534 TIP3 H1 HT 0.417000 1.0080 0 + 8074 WT0 5534 TIP3 H2 HT 0.417000 1.0080 0 + 8075 WT0 5535 TIP3 OH2 OT -0.834000 15.9994 0 + 8076 WT0 5535 TIP3 H1 HT 0.417000 1.0080 0 + 8077 WT0 5535 TIP3 H2 HT 0.417000 1.0080 0 + 8078 WT0 5539 TIP3 OH2 OT -0.834000 15.9994 0 + 8079 WT0 5539 TIP3 H1 HT 0.417000 1.0080 0 + 8080 WT0 5539 TIP3 H2 HT 0.417000 1.0080 0 + 8081 WT0 5541 TIP3 OH2 OT -0.834000 15.9994 0 + 8082 WT0 5541 TIP3 H1 HT 0.417000 1.0080 0 + 8083 WT0 5541 TIP3 H2 HT 0.417000 1.0080 0 + 8084 WT0 5545 TIP3 OH2 OT -0.834000 15.9994 0 + 8085 WT0 5545 TIP3 H1 HT 0.417000 1.0080 0 + 8086 WT0 5545 TIP3 H2 HT 0.417000 1.0080 0 + 8087 WT0 5547 TIP3 OH2 OT -0.834000 15.9994 0 + 8088 WT0 5547 TIP3 H1 HT 0.417000 1.0080 0 + 8089 WT0 5547 TIP3 H2 HT 0.417000 1.0080 0 + 8090 WT0 5550 TIP3 OH2 OT -0.834000 15.9994 0 + 8091 WT0 5550 TIP3 H1 HT 0.417000 1.0080 0 + 8092 WT0 5550 TIP3 H2 HT 0.417000 1.0080 0 + 8093 WT0 5551 TIP3 OH2 OT -0.834000 15.9994 0 + 8094 WT0 5551 TIP3 H1 HT 0.417000 1.0080 0 + 8095 WT0 5551 TIP3 H2 HT 0.417000 1.0080 0 + 8096 WT0 5552 TIP3 OH2 OT -0.834000 15.9994 0 + 8097 WT0 5552 TIP3 H1 HT 0.417000 1.0080 0 + 8098 WT0 5552 TIP3 H2 HT 0.417000 1.0080 0 + 8099 WT0 5553 TIP3 OH2 OT -0.834000 15.9994 0 + 8100 WT0 5553 TIP3 H1 HT 0.417000 1.0080 0 + 8101 WT0 5553 TIP3 H2 HT 0.417000 1.0080 0 + 8102 WT0 5554 TIP3 OH2 OT -0.834000 15.9994 0 + 8103 WT0 5554 TIP3 H1 HT 0.417000 1.0080 0 + 8104 WT0 5554 TIP3 H2 HT 0.417000 1.0080 0 + 8105 WT0 5555 TIP3 OH2 OT -0.834000 15.9994 0 + 8106 WT0 5555 TIP3 H1 HT 0.417000 1.0080 0 + 8107 WT0 5555 TIP3 H2 HT 0.417000 1.0080 0 + 8108 WT0 5557 TIP3 OH2 OT -0.834000 15.9994 0 + 8109 WT0 5557 TIP3 H1 HT 0.417000 1.0080 0 + 8110 WT0 5557 TIP3 H2 HT 0.417000 1.0080 0 + 8111 WT0 5559 TIP3 OH2 OT -0.834000 15.9994 0 + 8112 WT0 5559 TIP3 H1 HT 0.417000 1.0080 0 + 8113 WT0 5559 TIP3 H2 HT 0.417000 1.0080 0 + 8114 WT0 5560 TIP3 OH2 OT -0.834000 15.9994 0 + 8115 WT0 5560 TIP3 H1 HT 0.417000 1.0080 0 + 8116 WT0 5560 TIP3 H2 HT 0.417000 1.0080 0 + 8117 WT0 5566 TIP3 OH2 OT -0.834000 15.9994 0 + 8118 WT0 5566 TIP3 H1 HT 0.417000 1.0080 0 + 8119 WT0 5566 TIP3 H2 HT 0.417000 1.0080 0 + 8120 WT0 5567 TIP3 OH2 OT -0.834000 15.9994 0 + 8121 WT0 5567 TIP3 H1 HT 0.417000 1.0080 0 + 8122 WT0 5567 TIP3 H2 HT 0.417000 1.0080 0 + 8123 WT0 5568 TIP3 OH2 OT -0.834000 15.9994 0 + 8124 WT0 5568 TIP3 H1 HT 0.417000 1.0080 0 + 8125 WT0 5568 TIP3 H2 HT 0.417000 1.0080 0 + 8126 WT0 5570 TIP3 OH2 OT -0.834000 15.9994 0 + 8127 WT0 5570 TIP3 H1 HT 0.417000 1.0080 0 + 8128 WT0 5570 TIP3 H2 HT 0.417000 1.0080 0 + 8129 WT0 5571 TIP3 OH2 OT -0.834000 15.9994 0 + 8130 WT0 5571 TIP3 H1 HT 0.417000 1.0080 0 + 8131 WT0 5571 TIP3 H2 HT 0.417000 1.0080 0 + 8132 WT0 5572 TIP3 OH2 OT -0.834000 15.9994 0 + 8133 WT0 5572 TIP3 H1 HT 0.417000 1.0080 0 + 8134 WT0 5572 TIP3 H2 HT 0.417000 1.0080 0 + 8135 WT0 5574 TIP3 OH2 OT -0.834000 15.9994 0 + 8136 WT0 5574 TIP3 H1 HT 0.417000 1.0080 0 + 8137 WT0 5574 TIP3 H2 HT 0.417000 1.0080 0 + 8138 WT0 5582 TIP3 OH2 OT -0.834000 15.9994 0 + 8139 WT0 5582 TIP3 H1 HT 0.417000 1.0080 0 + 8140 WT0 5582 TIP3 H2 HT 0.417000 1.0080 0 + 8141 WT0 5591 TIP3 OH2 OT -0.834000 15.9994 0 + 8142 WT0 5591 TIP3 H1 HT 0.417000 1.0080 0 + 8143 WT0 5591 TIP3 H2 HT 0.417000 1.0080 0 + 8144 WT0 5594 TIP3 OH2 OT -0.834000 15.9994 0 + 8145 WT0 5594 TIP3 H1 HT 0.417000 1.0080 0 + 8146 WT0 5594 TIP3 H2 HT 0.417000 1.0080 0 + 8147 WT0 5598 TIP3 OH2 OT -0.834000 15.9994 0 + 8148 WT0 5598 TIP3 H1 HT 0.417000 1.0080 0 + 8149 WT0 5598 TIP3 H2 HT 0.417000 1.0080 0 + 8150 WT0 5599 TIP3 OH2 OT -0.834000 15.9994 0 + 8151 WT0 5599 TIP3 H1 HT 0.417000 1.0080 0 + 8152 WT0 5599 TIP3 H2 HT 0.417000 1.0080 0 + 8153 WT0 5601 TIP3 OH2 OT -0.834000 15.9994 0 + 8154 WT0 5601 TIP3 H1 HT 0.417000 1.0080 0 + 8155 WT0 5601 TIP3 H2 HT 0.417000 1.0080 0 + 8156 WT0 5602 TIP3 OH2 OT -0.834000 15.9994 0 + 8157 WT0 5602 TIP3 H1 HT 0.417000 1.0080 0 + 8158 WT0 5602 TIP3 H2 HT 0.417000 1.0080 0 + 8159 WT0 5604 TIP3 OH2 OT -0.834000 15.9994 0 + 8160 WT0 5604 TIP3 H1 HT 0.417000 1.0080 0 + 8161 WT0 5604 TIP3 H2 HT 0.417000 1.0080 0 + 8162 WT0 5607 TIP3 OH2 OT -0.834000 15.9994 0 + 8163 WT0 5607 TIP3 H1 HT 0.417000 1.0080 0 + 8164 WT0 5607 TIP3 H2 HT 0.417000 1.0080 0 + 8165 WT0 5609 TIP3 OH2 OT -0.834000 15.9994 0 + 8166 WT0 5609 TIP3 H1 HT 0.417000 1.0080 0 + 8167 WT0 5609 TIP3 H2 HT 0.417000 1.0080 0 + 8168 WT0 5610 TIP3 OH2 OT -0.834000 15.9994 0 + 8169 WT0 5610 TIP3 H1 HT 0.417000 1.0080 0 + 8170 WT0 5610 TIP3 H2 HT 0.417000 1.0080 0 + 8171 WT0 5611 TIP3 OH2 OT -0.834000 15.9994 0 + 8172 WT0 5611 TIP3 H1 HT 0.417000 1.0080 0 + 8173 WT0 5611 TIP3 H2 HT 0.417000 1.0080 0 + 8174 WT0 5612 TIP3 OH2 OT -0.834000 15.9994 0 + 8175 WT0 5612 TIP3 H1 HT 0.417000 1.0080 0 + 8176 WT0 5612 TIP3 H2 HT 0.417000 1.0080 0 + 8177 WT0 5613 TIP3 OH2 OT -0.834000 15.9994 0 + 8178 WT0 5613 TIP3 H1 HT 0.417000 1.0080 0 + 8179 WT0 5613 TIP3 H2 HT 0.417000 1.0080 0 + 8180 WT0 5617 TIP3 OH2 OT -0.834000 15.9994 0 + 8181 WT0 5617 TIP3 H1 HT 0.417000 1.0080 0 + 8182 WT0 5617 TIP3 H2 HT 0.417000 1.0080 0 + 8183 WT0 5619 TIP3 OH2 OT -0.834000 15.9994 0 + 8184 WT0 5619 TIP3 H1 HT 0.417000 1.0080 0 + 8185 WT0 5619 TIP3 H2 HT 0.417000 1.0080 0 + 8186 WT0 5628 TIP3 OH2 OT -0.834000 15.9994 0 + 8187 WT0 5628 TIP3 H1 HT 0.417000 1.0080 0 + 8188 WT0 5628 TIP3 H2 HT 0.417000 1.0080 0 + 8189 WT0 5631 TIP3 OH2 OT -0.834000 15.9994 0 + 8190 WT0 5631 TIP3 H1 HT 0.417000 1.0080 0 + 8191 WT0 5631 TIP3 H2 HT 0.417000 1.0080 0 + 8192 WT0 5633 TIP3 OH2 OT -0.834000 15.9994 0 + 8193 WT0 5633 TIP3 H1 HT 0.417000 1.0080 0 + 8194 WT0 5633 TIP3 H2 HT 0.417000 1.0080 0 + 8195 WT0 5638 TIP3 OH2 OT -0.834000 15.9994 0 + 8196 WT0 5638 TIP3 H1 HT 0.417000 1.0080 0 + 8197 WT0 5638 TIP3 H2 HT 0.417000 1.0080 0 + 8198 WT0 5639 TIP3 OH2 OT -0.834000 15.9994 0 + 8199 WT0 5639 TIP3 H1 HT 0.417000 1.0080 0 + 8200 WT0 5639 TIP3 H2 HT 0.417000 1.0080 0 + 8201 WT0 5641 TIP3 OH2 OT -0.834000 15.9994 0 + 8202 WT0 5641 TIP3 H1 HT 0.417000 1.0080 0 + 8203 WT0 5641 TIP3 H2 HT 0.417000 1.0080 0 + 8204 WT0 5643 TIP3 OH2 OT -0.834000 15.9994 0 + 8205 WT0 5643 TIP3 H1 HT 0.417000 1.0080 0 + 8206 WT0 5643 TIP3 H2 HT 0.417000 1.0080 0 + 8207 WT0 5648 TIP3 OH2 OT -0.834000 15.9994 0 + 8208 WT0 5648 TIP3 H1 HT 0.417000 1.0080 0 + 8209 WT0 5648 TIP3 H2 HT 0.417000 1.0080 0 + 8210 WT0 5650 TIP3 OH2 OT -0.834000 15.9994 0 + 8211 WT0 5650 TIP3 H1 HT 0.417000 1.0080 0 + 8212 WT0 5650 TIP3 H2 HT 0.417000 1.0080 0 + 8213 WT0 5661 TIP3 OH2 OT -0.834000 15.9994 0 + 8214 WT0 5661 TIP3 H1 HT 0.417000 1.0080 0 + 8215 WT0 5661 TIP3 H2 HT 0.417000 1.0080 0 + 8216 WT0 5667 TIP3 OH2 OT -0.834000 15.9994 0 + 8217 WT0 5667 TIP3 H1 HT 0.417000 1.0080 0 + 8218 WT0 5667 TIP3 H2 HT 0.417000 1.0080 0 + 8219 WT0 5669 TIP3 OH2 OT -0.834000 15.9994 0 + 8220 WT0 5669 TIP3 H1 HT 0.417000 1.0080 0 + 8221 WT0 5669 TIP3 H2 HT 0.417000 1.0080 0 + 8222 WT0 5675 TIP3 OH2 OT -0.834000 15.9994 0 + 8223 WT0 5675 TIP3 H1 HT 0.417000 1.0080 0 + 8224 WT0 5675 TIP3 H2 HT 0.417000 1.0080 0 + 8225 WT0 5676 TIP3 OH2 OT -0.834000 15.9994 0 + 8226 WT0 5676 TIP3 H1 HT 0.417000 1.0080 0 + 8227 WT0 5676 TIP3 H2 HT 0.417000 1.0080 0 + 8228 WT0 5678 TIP3 OH2 OT -0.834000 15.9994 0 + 8229 WT0 5678 TIP3 H1 HT 0.417000 1.0080 0 + 8230 WT0 5678 TIP3 H2 HT 0.417000 1.0080 0 + 8231 WT0 5679 TIP3 OH2 OT -0.834000 15.9994 0 + 8232 WT0 5679 TIP3 H1 HT 0.417000 1.0080 0 + 8233 WT0 5679 TIP3 H2 HT 0.417000 1.0080 0 + 8234 WT0 5681 TIP3 OH2 OT -0.834000 15.9994 0 + 8235 WT0 5681 TIP3 H1 HT 0.417000 1.0080 0 + 8236 WT0 5681 TIP3 H2 HT 0.417000 1.0080 0 + 8237 WT0 5682 TIP3 OH2 OT -0.834000 15.9994 0 + 8238 WT0 5682 TIP3 H1 HT 0.417000 1.0080 0 + 8239 WT0 5682 TIP3 H2 HT 0.417000 1.0080 0 + 8240 WT0 5684 TIP3 OH2 OT -0.834000 15.9994 0 + 8241 WT0 5684 TIP3 H1 HT 0.417000 1.0080 0 + 8242 WT0 5684 TIP3 H2 HT 0.417000 1.0080 0 + 8243 WT0 5690 TIP3 OH2 OT -0.834000 15.9994 0 + 8244 WT0 5690 TIP3 H1 HT 0.417000 1.0080 0 + 8245 WT0 5690 TIP3 H2 HT 0.417000 1.0080 0 + 8246 WT0 5697 TIP3 OH2 OT -0.834000 15.9994 0 + 8247 WT0 5697 TIP3 H1 HT 0.417000 1.0080 0 + 8248 WT0 5697 TIP3 H2 HT 0.417000 1.0080 0 + 8249 WT0 5704 TIP3 OH2 OT -0.834000 15.9994 0 + 8250 WT0 5704 TIP3 H1 HT 0.417000 1.0080 0 + 8251 WT0 5704 TIP3 H2 HT 0.417000 1.0080 0 + 8252 WT0 5710 TIP3 OH2 OT -0.834000 15.9994 0 + 8253 WT0 5710 TIP3 H1 HT 0.417000 1.0080 0 + 8254 WT0 5710 TIP3 H2 HT 0.417000 1.0080 0 + 8255 WT0 5713 TIP3 OH2 OT -0.834000 15.9994 0 + 8256 WT0 5713 TIP3 H1 HT 0.417000 1.0080 0 + 8257 WT0 5713 TIP3 H2 HT 0.417000 1.0080 0 + 8258 WT0 5714 TIP3 OH2 OT -0.834000 15.9994 0 + 8259 WT0 5714 TIP3 H1 HT 0.417000 1.0080 0 + 8260 WT0 5714 TIP3 H2 HT 0.417000 1.0080 0 + 8261 WT0 5718 TIP3 OH2 OT -0.834000 15.9994 0 + 8262 WT0 5718 TIP3 H1 HT 0.417000 1.0080 0 + 8263 WT0 5718 TIP3 H2 HT 0.417000 1.0080 0 + 8264 WT0 5719 TIP3 OH2 OT -0.834000 15.9994 0 + 8265 WT0 5719 TIP3 H1 HT 0.417000 1.0080 0 + 8266 WT0 5719 TIP3 H2 HT 0.417000 1.0080 0 + 8267 WT0 5720 TIP3 OH2 OT -0.834000 15.9994 0 + 8268 WT0 5720 TIP3 H1 HT 0.417000 1.0080 0 + 8269 WT0 5720 TIP3 H2 HT 0.417000 1.0080 0 + 8270 WT0 5722 TIP3 OH2 OT -0.834000 15.9994 0 + 8271 WT0 5722 TIP3 H1 HT 0.417000 1.0080 0 + 8272 WT0 5722 TIP3 H2 HT 0.417000 1.0080 0 + 8273 WT0 5723 TIP3 OH2 OT -0.834000 15.9994 0 + 8274 WT0 5723 TIP3 H1 HT 0.417000 1.0080 0 + 8275 WT0 5723 TIP3 H2 HT 0.417000 1.0080 0 + 8276 WT0 5727 TIP3 OH2 OT -0.834000 15.9994 0 + 8277 WT0 5727 TIP3 H1 HT 0.417000 1.0080 0 + 8278 WT0 5727 TIP3 H2 HT 0.417000 1.0080 0 + 8279 WT0 5734 TIP3 OH2 OT -0.834000 15.9994 0 + 8280 WT0 5734 TIP3 H1 HT 0.417000 1.0080 0 + 8281 WT0 5734 TIP3 H2 HT 0.417000 1.0080 0 + 8282 WT0 5736 TIP3 OH2 OT -0.834000 15.9994 0 + 8283 WT0 5736 TIP3 H1 HT 0.417000 1.0080 0 + 8284 WT0 5736 TIP3 H2 HT 0.417000 1.0080 0 + 8285 WT0 5738 TIP3 OH2 OT -0.834000 15.9994 0 + 8286 WT0 5738 TIP3 H1 HT 0.417000 1.0080 0 + 8287 WT0 5738 TIP3 H2 HT 0.417000 1.0080 0 + 8288 WT0 5741 TIP3 OH2 OT -0.834000 15.9994 0 + 8289 WT0 5741 TIP3 H1 HT 0.417000 1.0080 0 + 8290 WT0 5741 TIP3 H2 HT 0.417000 1.0080 0 + 8291 WT0 5755 TIP3 OH2 OT -0.834000 15.9994 0 + 8292 WT0 5755 TIP3 H1 HT 0.417000 1.0080 0 + 8293 WT0 5755 TIP3 H2 HT 0.417000 1.0080 0 + 8294 WT0 5756 TIP3 OH2 OT -0.834000 15.9994 0 + 8295 WT0 5756 TIP3 H1 HT 0.417000 1.0080 0 + 8296 WT0 5756 TIP3 H2 HT 0.417000 1.0080 0 + 8297 WT0 5758 TIP3 OH2 OT -0.834000 15.9994 0 + 8298 WT0 5758 TIP3 H1 HT 0.417000 1.0080 0 + 8299 WT0 5758 TIP3 H2 HT 0.417000 1.0080 0 + 8300 WT0 5760 TIP3 OH2 OT -0.834000 15.9994 0 + 8301 WT0 5760 TIP3 H1 HT 0.417000 1.0080 0 + 8302 WT0 5760 TIP3 H2 HT 0.417000 1.0080 0 + 8303 WT0 5762 TIP3 OH2 OT -0.834000 15.9994 0 + 8304 WT0 5762 TIP3 H1 HT 0.417000 1.0080 0 + 8305 WT0 5762 TIP3 H2 HT 0.417000 1.0080 0 + 8306 WT0 5764 TIP3 OH2 OT -0.834000 15.9994 0 + 8307 WT0 5764 TIP3 H1 HT 0.417000 1.0080 0 + 8308 WT0 5764 TIP3 H2 HT 0.417000 1.0080 0 + 8309 WT0 5765 TIP3 OH2 OT -0.834000 15.9994 0 + 8310 WT0 5765 TIP3 H1 HT 0.417000 1.0080 0 + 8311 WT0 5765 TIP3 H2 HT 0.417000 1.0080 0 + 8312 WT0 5767 TIP3 OH2 OT -0.834000 15.9994 0 + 8313 WT0 5767 TIP3 H1 HT 0.417000 1.0080 0 + 8314 WT0 5767 TIP3 H2 HT 0.417000 1.0080 0 + 8315 WT0 5777 TIP3 OH2 OT -0.834000 15.9994 0 + 8316 WT0 5777 TIP3 H1 HT 0.417000 1.0080 0 + 8317 WT0 5777 TIP3 H2 HT 0.417000 1.0080 0 + 8318 WT0 5779 TIP3 OH2 OT -0.834000 15.9994 0 + 8319 WT0 5779 TIP3 H1 HT 0.417000 1.0080 0 + 8320 WT0 5779 TIP3 H2 HT 0.417000 1.0080 0 + 8321 WT0 5780 TIP3 OH2 OT -0.834000 15.9994 0 + 8322 WT0 5780 TIP3 H1 HT 0.417000 1.0080 0 + 8323 WT0 5780 TIP3 H2 HT 0.417000 1.0080 0 + 8324 WT0 5781 TIP3 OH2 OT -0.834000 15.9994 0 + 8325 WT0 5781 TIP3 H1 HT 0.417000 1.0080 0 + 8326 WT0 5781 TIP3 H2 HT 0.417000 1.0080 0 + 8327 WT0 5782 TIP3 OH2 OT -0.834000 15.9994 0 + 8328 WT0 5782 TIP3 H1 HT 0.417000 1.0080 0 + 8329 WT0 5782 TIP3 H2 HT 0.417000 1.0080 0 + 8330 WT0 5783 TIP3 OH2 OT -0.834000 15.9994 0 + 8331 WT0 5783 TIP3 H1 HT 0.417000 1.0080 0 + 8332 WT0 5783 TIP3 H2 HT 0.417000 1.0080 0 + 8333 WT0 5784 TIP3 OH2 OT -0.834000 15.9994 0 + 8334 WT0 5784 TIP3 H1 HT 0.417000 1.0080 0 + 8335 WT0 5784 TIP3 H2 HT 0.417000 1.0080 0 + 8336 WT0 5785 TIP3 OH2 OT -0.834000 15.9994 0 + 8337 WT0 5785 TIP3 H1 HT 0.417000 1.0080 0 + 8338 WT0 5785 TIP3 H2 HT 0.417000 1.0080 0 + 8339 WT0 5786 TIP3 OH2 OT -0.834000 15.9994 0 + 8340 WT0 5786 TIP3 H1 HT 0.417000 1.0080 0 + 8341 WT0 5786 TIP3 H2 HT 0.417000 1.0080 0 + 8342 WT0 5787 TIP3 OH2 OT -0.834000 15.9994 0 + 8343 WT0 5787 TIP3 H1 HT 0.417000 1.0080 0 + 8344 WT0 5787 TIP3 H2 HT 0.417000 1.0080 0 + 8345 WT0 5788 TIP3 OH2 OT -0.834000 15.9994 0 + 8346 WT0 5788 TIP3 H1 HT 0.417000 1.0080 0 + 8347 WT0 5788 TIP3 H2 HT 0.417000 1.0080 0 + 8348 WT0 5790 TIP3 OH2 OT -0.834000 15.9994 0 + 8349 WT0 5790 TIP3 H1 HT 0.417000 1.0080 0 + 8350 WT0 5790 TIP3 H2 HT 0.417000 1.0080 0 + 8351 WT0 5791 TIP3 OH2 OT -0.834000 15.9994 0 + 8352 WT0 5791 TIP3 H1 HT 0.417000 1.0080 0 + 8353 WT0 5791 TIP3 H2 HT 0.417000 1.0080 0 + 8354 WT0 5796 TIP3 OH2 OT -0.834000 15.9994 0 + 8355 WT0 5796 TIP3 H1 HT 0.417000 1.0080 0 + 8356 WT0 5796 TIP3 H2 HT 0.417000 1.0080 0 + 8357 WT0 5797 TIP3 OH2 OT -0.834000 15.9994 0 + 8358 WT0 5797 TIP3 H1 HT 0.417000 1.0080 0 + 8359 WT0 5797 TIP3 H2 HT 0.417000 1.0080 0 + 8360 WT0 5799 TIP3 OH2 OT -0.834000 15.9994 0 + 8361 WT0 5799 TIP3 H1 HT 0.417000 1.0080 0 + 8362 WT0 5799 TIP3 H2 HT 0.417000 1.0080 0 + 8363 WT0 5802 TIP3 OH2 OT -0.834000 15.9994 0 + 8364 WT0 5802 TIP3 H1 HT 0.417000 1.0080 0 + 8365 WT0 5802 TIP3 H2 HT 0.417000 1.0080 0 + 8366 WT0 5803 TIP3 OH2 OT -0.834000 15.9994 0 + 8367 WT0 5803 TIP3 H1 HT 0.417000 1.0080 0 + 8368 WT0 5803 TIP3 H2 HT 0.417000 1.0080 0 + 8369 WT0 5804 TIP3 OH2 OT -0.834000 15.9994 0 + 8370 WT0 5804 TIP3 H1 HT 0.417000 1.0080 0 + 8371 WT0 5804 TIP3 H2 HT 0.417000 1.0080 0 + 8372 WT0 5805 TIP3 OH2 OT -0.834000 15.9994 0 + 8373 WT0 5805 TIP3 H1 HT 0.417000 1.0080 0 + 8374 WT0 5805 TIP3 H2 HT 0.417000 1.0080 0 + 8375 WT0 5806 TIP3 OH2 OT -0.834000 15.9994 0 + 8376 WT0 5806 TIP3 H1 HT 0.417000 1.0080 0 + 8377 WT0 5806 TIP3 H2 HT 0.417000 1.0080 0 + 8378 WT0 5807 TIP3 OH2 OT -0.834000 15.9994 0 + 8379 WT0 5807 TIP3 H1 HT 0.417000 1.0080 0 + 8380 WT0 5807 TIP3 H2 HT 0.417000 1.0080 0 + 8381 WT0 5808 TIP3 OH2 OT -0.834000 15.9994 0 + 8382 WT0 5808 TIP3 H1 HT 0.417000 1.0080 0 + 8383 WT0 5808 TIP3 H2 HT 0.417000 1.0080 0 + 8384 WT0 5809 TIP3 OH2 OT -0.834000 15.9994 0 + 8385 WT0 5809 TIP3 H1 HT 0.417000 1.0080 0 + 8386 WT0 5809 TIP3 H2 HT 0.417000 1.0080 0 + 8387 WT0 5810 TIP3 OH2 OT -0.834000 15.9994 0 + 8388 WT0 5810 TIP3 H1 HT 0.417000 1.0080 0 + 8389 WT0 5810 TIP3 H2 HT 0.417000 1.0080 0 + 8390 WT0 5812 TIP3 OH2 OT -0.834000 15.9994 0 + 8391 WT0 5812 TIP3 H1 HT 0.417000 1.0080 0 + 8392 WT0 5812 TIP3 H2 HT 0.417000 1.0080 0 + 8393 WT0 5818 TIP3 OH2 OT -0.834000 15.9994 0 + 8394 WT0 5818 TIP3 H1 HT 0.417000 1.0080 0 + 8395 WT0 5818 TIP3 H2 HT 0.417000 1.0080 0 + 8396 WT0 5820 TIP3 OH2 OT -0.834000 15.9994 0 + 8397 WT0 5820 TIP3 H1 HT 0.417000 1.0080 0 + 8398 WT0 5820 TIP3 H2 HT 0.417000 1.0080 0 + 8399 WT0 5823 TIP3 OH2 OT -0.834000 15.9994 0 + 8400 WT0 5823 TIP3 H1 HT 0.417000 1.0080 0 + 8401 WT0 5823 TIP3 H2 HT 0.417000 1.0080 0 + 8402 WT0 5824 TIP3 OH2 OT -0.834000 15.9994 0 + 8403 WT0 5824 TIP3 H1 HT 0.417000 1.0080 0 + 8404 WT0 5824 TIP3 H2 HT 0.417000 1.0080 0 + 8405 WT0 5826 TIP3 OH2 OT -0.834000 15.9994 0 + 8406 WT0 5826 TIP3 H1 HT 0.417000 1.0080 0 + 8407 WT0 5826 TIP3 H2 HT 0.417000 1.0080 0 + 8408 WT0 5829 TIP3 OH2 OT -0.834000 15.9994 0 + 8409 WT0 5829 TIP3 H1 HT 0.417000 1.0080 0 + 8410 WT0 5829 TIP3 H2 HT 0.417000 1.0080 0 + 8411 WT0 5830 TIP3 OH2 OT -0.834000 15.9994 0 + 8412 WT0 5830 TIP3 H1 HT 0.417000 1.0080 0 + 8413 WT0 5830 TIP3 H2 HT 0.417000 1.0080 0 + 8414 WT0 5832 TIP3 OH2 OT -0.834000 15.9994 0 + 8415 WT0 5832 TIP3 H1 HT 0.417000 1.0080 0 + 8416 WT0 5832 TIP3 H2 HT 0.417000 1.0080 0 + 8417 WT0 5834 TIP3 OH2 OT -0.834000 15.9994 0 + 8418 WT0 5834 TIP3 H1 HT 0.417000 1.0080 0 + 8419 WT0 5834 TIP3 H2 HT 0.417000 1.0080 0 + 8420 WT0 5835 TIP3 OH2 OT -0.834000 15.9994 0 + 8421 WT0 5835 TIP3 H1 HT 0.417000 1.0080 0 + 8422 WT0 5835 TIP3 H2 HT 0.417000 1.0080 0 + 8423 WT0 5836 TIP3 OH2 OT -0.834000 15.9994 0 + 8424 WT0 5836 TIP3 H1 HT 0.417000 1.0080 0 + 8425 WT0 5836 TIP3 H2 HT 0.417000 1.0080 0 + 8426 WT0 5837 TIP3 OH2 OT -0.834000 15.9994 0 + 8427 WT0 5837 TIP3 H1 HT 0.417000 1.0080 0 + 8428 WT0 5837 TIP3 H2 HT 0.417000 1.0080 0 + 8429 WT0 5839 TIP3 OH2 OT -0.834000 15.9994 0 + 8430 WT0 5839 TIP3 H1 HT 0.417000 1.0080 0 + 8431 WT0 5839 TIP3 H2 HT 0.417000 1.0080 0 + 8432 WT0 5840 TIP3 OH2 OT -0.834000 15.9994 0 + 8433 WT0 5840 TIP3 H1 HT 0.417000 1.0080 0 + 8434 WT0 5840 TIP3 H2 HT 0.417000 1.0080 0 + 8435 WT0 5841 TIP3 OH2 OT -0.834000 15.9994 0 + 8436 WT0 5841 TIP3 H1 HT 0.417000 1.0080 0 + 8437 WT0 5841 TIP3 H2 HT 0.417000 1.0080 0 + 8438 WT0 5842 TIP3 OH2 OT -0.834000 15.9994 0 + 8439 WT0 5842 TIP3 H1 HT 0.417000 1.0080 0 + 8440 WT0 5842 TIP3 H2 HT 0.417000 1.0080 0 + 8441 WT0 5844 TIP3 OH2 OT -0.834000 15.9994 0 + 8442 WT0 5844 TIP3 H1 HT 0.417000 1.0080 0 + 8443 WT0 5844 TIP3 H2 HT 0.417000 1.0080 0 + 8444 WT0 5847 TIP3 OH2 OT -0.834000 15.9994 0 + 8445 WT0 5847 TIP3 H1 HT 0.417000 1.0080 0 + 8446 WT0 5847 TIP3 H2 HT 0.417000 1.0080 0 + 8447 WT0 5848 TIP3 OH2 OT -0.834000 15.9994 0 + 8448 WT0 5848 TIP3 H1 HT 0.417000 1.0080 0 + 8449 WT0 5848 TIP3 H2 HT 0.417000 1.0080 0 + 8450 WT0 5849 TIP3 OH2 OT -0.834000 15.9994 0 + 8451 WT0 5849 TIP3 H1 HT 0.417000 1.0080 0 + 8452 WT0 5849 TIP3 H2 HT 0.417000 1.0080 0 + 8453 WT0 5859 TIP3 OH2 OT -0.834000 15.9994 0 + 8454 WT0 5859 TIP3 H1 HT 0.417000 1.0080 0 + 8455 WT0 5859 TIP3 H2 HT 0.417000 1.0080 0 + 8456 WT0 5860 TIP3 OH2 OT -0.834000 15.9994 0 + 8457 WT0 5860 TIP3 H1 HT 0.417000 1.0080 0 + 8458 WT0 5860 TIP3 H2 HT 0.417000 1.0080 0 + 8459 WT0 5861 TIP3 OH2 OT -0.834000 15.9994 0 + 8460 WT0 5861 TIP3 H1 HT 0.417000 1.0080 0 + 8461 WT0 5861 TIP3 H2 HT 0.417000 1.0080 0 + 8462 WT0 5862 TIP3 OH2 OT -0.834000 15.9994 0 + 8463 WT0 5862 TIP3 H1 HT 0.417000 1.0080 0 + 8464 WT0 5862 TIP3 H2 HT 0.417000 1.0080 0 + 8465 WT0 5864 TIP3 OH2 OT -0.834000 15.9994 0 + 8466 WT0 5864 TIP3 H1 HT 0.417000 1.0080 0 + 8467 WT0 5864 TIP3 H2 HT 0.417000 1.0080 0 + 8468 WT0 5867 TIP3 OH2 OT -0.834000 15.9994 0 + 8469 WT0 5867 TIP3 H1 HT 0.417000 1.0080 0 + 8470 WT0 5867 TIP3 H2 HT 0.417000 1.0080 0 + 8471 WT0 5868 TIP3 OH2 OT -0.834000 15.9994 0 + 8472 WT0 5868 TIP3 H1 HT 0.417000 1.0080 0 + 8473 WT0 5868 TIP3 H2 HT 0.417000 1.0080 0 + 8474 WT0 5873 TIP3 OH2 OT -0.834000 15.9994 0 + 8475 WT0 5873 TIP3 H1 HT 0.417000 1.0080 0 + 8476 WT0 5873 TIP3 H2 HT 0.417000 1.0080 0 + 8477 WT0 5874 TIP3 OH2 OT -0.834000 15.9994 0 + 8478 WT0 5874 TIP3 H1 HT 0.417000 1.0080 0 + 8479 WT0 5874 TIP3 H2 HT 0.417000 1.0080 0 + 8480 WT0 5881 TIP3 OH2 OT -0.834000 15.9994 0 + 8481 WT0 5881 TIP3 H1 HT 0.417000 1.0080 0 + 8482 WT0 5881 TIP3 H2 HT 0.417000 1.0080 0 + 8483 WT0 5884 TIP3 OH2 OT -0.834000 15.9994 0 + 8484 WT0 5884 TIP3 H1 HT 0.417000 1.0080 0 + 8485 WT0 5884 TIP3 H2 HT 0.417000 1.0080 0 + 8486 WT0 5887 TIP3 OH2 OT -0.834000 15.9994 0 + 8487 WT0 5887 TIP3 H1 HT 0.417000 1.0080 0 + 8488 WT0 5887 TIP3 H2 HT 0.417000 1.0080 0 + 8489 WT0 5889 TIP3 OH2 OT -0.834000 15.9994 0 + 8490 WT0 5889 TIP3 H1 HT 0.417000 1.0080 0 + 8491 WT0 5889 TIP3 H2 HT 0.417000 1.0080 0 + 8492 WT0 5890 TIP3 OH2 OT -0.834000 15.9994 0 + 8493 WT0 5890 TIP3 H1 HT 0.417000 1.0080 0 + 8494 WT0 5890 TIP3 H2 HT 0.417000 1.0080 0 + 8495 WT0 5891 TIP3 OH2 OT -0.834000 15.9994 0 + 8496 WT0 5891 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8519 WT0 5906 TIP3 OH2 OT -0.834000 15.9994 0 + 8520 WT0 5906 TIP3 H1 HT 0.417000 1.0080 0 + 8521 WT0 5906 TIP3 H2 HT 0.417000 1.0080 0 + 8522 WT0 5907 TIP3 OH2 OT -0.834000 15.9994 0 + 8523 WT0 5907 TIP3 H1 HT 0.417000 1.0080 0 + 8524 WT0 5907 TIP3 H2 HT 0.417000 1.0080 0 + 8525 WT0 5908 TIP3 OH2 OT -0.834000 15.9994 0 + 8526 WT0 5908 TIP3 H1 HT 0.417000 1.0080 0 + 8527 WT0 5908 TIP3 H2 HT 0.417000 1.0080 0 + 8528 WT0 5909 TIP3 OH2 OT -0.834000 15.9994 0 + 8529 WT0 5909 TIP3 H1 HT 0.417000 1.0080 0 + 8530 WT0 5909 TIP3 H2 HT 0.417000 1.0080 0 + 8531 WT0 5912 TIP3 OH2 OT -0.834000 15.9994 0 + 8532 WT0 5912 TIP3 H1 HT 0.417000 1.0080 0 + 8533 WT0 5912 TIP3 H2 HT 0.417000 1.0080 0 + 8534 WT0 5914 TIP3 OH2 OT -0.834000 15.9994 0 + 8535 WT0 5914 TIP3 H1 HT 0.417000 1.0080 0 + 8536 WT0 5914 TIP3 H2 HT 0.417000 1.0080 0 + 8537 WT0 5916 TIP3 OH2 OT -0.834000 15.9994 0 + 8538 WT0 5916 TIP3 H1 HT 0.417000 1.0080 0 + 8539 WT0 5916 TIP3 H2 HT 0.417000 1.0080 0 + 8540 WT0 5918 TIP3 OH2 OT -0.834000 15.9994 0 + 8541 WT0 5918 TIP3 H1 HT 0.417000 1.0080 0 + 8542 WT0 5918 TIP3 H2 HT 0.417000 1.0080 0 + 8543 WT0 5919 TIP3 OH2 OT -0.834000 15.9994 0 + 8544 WT0 5919 TIP3 H1 HT 0.417000 1.0080 0 + 8545 WT0 5919 TIP3 H2 HT 0.417000 1.0080 0 + 8546 WT0 5920 TIP3 OH2 OT -0.834000 15.9994 0 + 8547 WT0 5920 TIP3 H1 HT 0.417000 1.0080 0 + 8548 WT0 5920 TIP3 H2 HT 0.417000 1.0080 0 + 8549 WT0 5924 TIP3 OH2 OT -0.834000 15.9994 0 + 8550 WT0 5924 TIP3 H1 HT 0.417000 1.0080 0 + 8551 WT0 5924 TIP3 H2 HT 0.417000 1.0080 0 + 8552 WT0 5925 TIP3 OH2 OT -0.834000 15.9994 0 + 8553 WT0 5925 TIP3 H1 HT 0.417000 1.0080 0 + 8554 WT0 5925 TIP3 H2 HT 0.417000 1.0080 0 + 8555 WT0 5926 TIP3 OH2 OT -0.834000 15.9994 0 + 8556 WT0 5926 TIP3 H1 HT 0.417000 1.0080 0 + 8557 WT0 5926 TIP3 H2 HT 0.417000 1.0080 0 + 8558 WT0 5927 TIP3 OH2 OT -0.834000 15.9994 0 + 8559 WT0 5927 TIP3 H1 HT 0.417000 1.0080 0 + 8560 WT0 5927 TIP3 H2 HT 0.417000 1.0080 0 + 8561 WT0 5929 TIP3 OH2 OT -0.834000 15.9994 0 + 8562 WT0 5929 TIP3 H1 HT 0.417000 1.0080 0 + 8563 WT0 5929 TIP3 H2 HT 0.417000 1.0080 0 + 8564 WT0 5930 TIP3 OH2 OT -0.834000 15.9994 0 + 8565 WT0 5930 TIP3 H1 HT 0.417000 1.0080 0 + 8566 WT0 5930 TIP3 H2 HT 0.417000 1.0080 0 + 8567 WT0 5931 TIP3 OH2 OT -0.834000 15.9994 0 + 8568 WT0 5931 TIP3 H1 HT 0.417000 1.0080 0 + 8569 WT0 5931 TIP3 H2 HT 0.417000 1.0080 0 + 8570 WT0 5932 TIP3 OH2 OT -0.834000 15.9994 0 + 8571 WT0 5932 TIP3 H1 HT 0.417000 1.0080 0 + 8572 WT0 5932 TIP3 H2 HT 0.417000 1.0080 0 + 8573 WT0 5933 TIP3 OH2 OT -0.834000 15.9994 0 + 8574 WT0 5933 TIP3 H1 HT 0.417000 1.0080 0 + 8575 WT0 5933 TIP3 H2 HT 0.417000 1.0080 0 + 8576 WT0 5937 TIP3 OH2 OT -0.834000 15.9994 0 + 8577 WT0 5937 TIP3 H1 HT 0.417000 1.0080 0 + 8578 WT0 5937 TIP3 H2 HT 0.417000 1.0080 0 + 8579 WT0 5938 TIP3 OH2 OT -0.834000 15.9994 0 + 8580 WT0 5938 TIP3 H1 HT 0.417000 1.0080 0 + 8581 WT0 5938 TIP3 H2 HT 0.417000 1.0080 0 + 8582 WT0 5941 TIP3 OH2 OT -0.834000 15.9994 0 + 8583 WT0 5941 TIP3 H1 HT 0.417000 1.0080 0 + 8584 WT0 5941 TIP3 H2 HT 0.417000 1.0080 0 + 8585 WT0 5946 TIP3 OH2 OT -0.834000 15.9994 0 + 8586 WT0 5946 TIP3 H1 HT 0.417000 1.0080 0 + 8587 WT0 5946 TIP3 H2 HT 0.417000 1.0080 0 + 8588 WT0 5948 TIP3 OH2 OT -0.834000 15.9994 0 + 8589 WT0 5948 TIP3 H1 HT 0.417000 1.0080 0 + 8590 WT0 5948 TIP3 H2 HT 0.417000 1.0080 0 + 8591 WT0 5950 TIP3 OH2 OT -0.834000 15.9994 0 + 8592 WT0 5950 TIP3 H1 HT 0.417000 1.0080 0 + 8593 WT0 5950 TIP3 H2 HT 0.417000 1.0080 0 + 8594 WT0 5952 TIP3 OH2 OT -0.834000 15.9994 0 + 8595 WT0 5952 TIP3 H1 HT 0.417000 1.0080 0 + 8596 WT0 5952 TIP3 H2 HT 0.417000 1.0080 0 + 8597 WT0 5953 TIP3 OH2 OT -0.834000 15.9994 0 + 8598 WT0 5953 TIP3 H1 HT 0.417000 1.0080 0 + 8599 WT0 5953 TIP3 H2 HT 0.417000 1.0080 0 + 8600 WT0 5954 TIP3 OH2 OT -0.834000 15.9994 0 + 8601 WT0 5954 TIP3 H1 HT 0.417000 1.0080 0 + 8602 WT0 5954 TIP3 H2 HT 0.417000 1.0080 0 + 8603 WT0 5958 TIP3 OH2 OT -0.834000 15.9994 0 + 8604 WT0 5958 TIP3 H1 HT 0.417000 1.0080 0 + 8605 WT0 5958 TIP3 H2 HT 0.417000 1.0080 0 + 8606 WT0 5962 TIP3 OH2 OT -0.834000 15.9994 0 + 8607 WT0 5962 TIP3 H1 HT 0.417000 1.0080 0 + 8608 WT0 5962 TIP3 H2 HT 0.417000 1.0080 0 + 8609 WT0 5965 TIP3 OH2 OT -0.834000 15.9994 0 + 8610 WT0 5965 TIP3 H1 HT 0.417000 1.0080 0 + 8611 WT0 5965 TIP3 H2 HT 0.417000 1.0080 0 + 8612 WT0 5966 TIP3 OH2 OT -0.834000 15.9994 0 + 8613 WT0 5966 TIP3 H1 HT 0.417000 1.0080 0 + 8614 WT0 5966 TIP3 H2 HT 0.417000 1.0080 0 + 8615 WT0 5967 TIP3 OH2 OT -0.834000 15.9994 0 + 8616 WT0 5967 TIP3 H1 HT 0.417000 1.0080 0 + 8617 WT0 5967 TIP3 H2 HT 0.417000 1.0080 0 + 8618 WT0 5969 TIP3 OH2 OT -0.834000 15.9994 0 + 8619 WT0 5969 TIP3 H1 HT 0.417000 1.0080 0 + 8620 WT0 5969 TIP3 H2 HT 0.417000 1.0080 0 + 8621 WT0 5971 TIP3 OH2 OT -0.834000 15.9994 0 + 8622 WT0 5971 TIP3 H1 HT 0.417000 1.0080 0 + 8623 WT0 5971 TIP3 H2 HT 0.417000 1.0080 0 + 8624 WT0 5972 TIP3 OH2 OT -0.834000 15.9994 0 + 8625 WT0 5972 TIP3 H1 HT 0.417000 1.0080 0 + 8626 WT0 5972 TIP3 H2 HT 0.417000 1.0080 0 + 8627 WT0 5973 TIP3 OH2 OT -0.834000 15.9994 0 + 8628 WT0 5973 TIP3 H1 HT 0.417000 1.0080 0 + 8629 WT0 5973 TIP3 H2 HT 0.417000 1.0080 0 + 8630 WT0 5975 TIP3 OH2 OT -0.834000 15.9994 0 + 8631 WT0 5975 TIP3 H1 HT 0.417000 1.0080 0 + 8632 WT0 5975 TIP3 H2 HT 0.417000 1.0080 0 + 8633 WT0 5976 TIP3 OH2 OT -0.834000 15.9994 0 + 8634 WT0 5976 TIP3 H1 HT 0.417000 1.0080 0 + 8635 WT0 5976 TIP3 H2 HT 0.417000 1.0080 0 + 8636 WT0 5977 TIP3 OH2 OT -0.834000 15.9994 0 + 8637 WT0 5977 TIP3 H1 HT 0.417000 1.0080 0 + 8638 WT0 5977 TIP3 H2 HT 0.417000 1.0080 0 + 8639 WT0 5978 TIP3 OH2 OT -0.834000 15.9994 0 + 8640 WT0 5978 TIP3 H1 HT 0.417000 1.0080 0 + 8641 WT0 5978 TIP3 H2 HT 0.417000 1.0080 0 + 8642 WT0 5984 TIP3 OH2 OT -0.834000 15.9994 0 + 8643 WT0 5984 TIP3 H1 HT 0.417000 1.0080 0 + 8644 WT0 5984 TIP3 H2 HT 0.417000 1.0080 0 + 8645 WT0 5985 TIP3 OH2 OT -0.834000 15.9994 0 + 8646 WT0 5985 TIP3 H1 HT 0.417000 1.0080 0 + 8647 WT0 5985 TIP3 H2 HT 0.417000 1.0080 0 + 8648 WT0 5986 TIP3 OH2 OT -0.834000 15.9994 0 + 8649 WT0 5986 TIP3 H1 HT 0.417000 1.0080 0 + 8650 WT0 5986 TIP3 H2 HT 0.417000 1.0080 0 + 8651 WT0 5987 TIP3 OH2 OT -0.834000 15.9994 0 + 8652 WT0 5987 TIP3 H1 HT 0.417000 1.0080 0 + 8653 WT0 5987 TIP3 H2 HT 0.417000 1.0080 0 + 8654 WT0 5988 TIP3 OH2 OT -0.834000 15.9994 0 + 8655 WT0 5988 TIP3 H1 HT 0.417000 1.0080 0 + 8656 WT0 5988 TIP3 H2 HT 0.417000 1.0080 0 + 8657 WT0 5989 TIP3 OH2 OT -0.834000 15.9994 0 + 8658 WT0 5989 TIP3 H1 HT 0.417000 1.0080 0 + 8659 WT0 5989 TIP3 H2 HT 0.417000 1.0080 0 + 8660 WT0 5990 TIP3 OH2 OT -0.834000 15.9994 0 + 8661 WT0 5990 TIP3 H1 HT 0.417000 1.0080 0 + 8662 WT0 5990 TIP3 H2 HT 0.417000 1.0080 0 + 8663 WT0 5992 TIP3 OH2 OT -0.834000 15.9994 0 + 8664 WT0 5992 TIP3 H1 HT 0.417000 1.0080 0 + 8665 WT0 5992 TIP3 H2 HT 0.417000 1.0080 0 + 8666 WT0 5994 TIP3 OH2 OT -0.834000 15.9994 0 + 8667 WT0 5994 TIP3 H1 HT 0.417000 1.0080 0 + 8668 WT0 5994 TIP3 H2 HT 0.417000 1.0080 0 + 8669 WT0 5997 TIP3 OH2 OT -0.834000 15.9994 0 + 8670 WT0 5997 TIP3 H1 HT 0.417000 1.0080 0 + 8671 WT0 5997 TIP3 H2 HT 0.417000 1.0080 0 + 8672 WT0 6000 TIP3 OH2 OT -0.834000 15.9994 0 + 8673 WT0 6000 TIP3 H1 HT 0.417000 1.0080 0 + 8674 WT0 6000 TIP3 H2 HT 0.417000 1.0080 0 + 8675 WT0 6001 TIP3 OH2 OT -0.834000 15.9994 0 + 8676 WT0 6001 TIP3 H1 HT 0.417000 1.0080 0 + 8677 WT0 6001 TIP3 H2 HT 0.417000 1.0080 0 + 8678 WT0 6004 TIP3 OH2 OT -0.834000 15.9994 0 + 8679 WT0 6004 TIP3 H1 HT 0.417000 1.0080 0 + 8680 WT0 6004 TIP3 H2 HT 0.417000 1.0080 0 + 8681 WT0 6005 TIP3 OH2 OT -0.834000 15.9994 0 + 8682 WT0 6005 TIP3 H1 HT 0.417000 1.0080 0 + 8683 WT0 6005 TIP3 H2 HT 0.417000 1.0080 0 + 8684 WT0 6006 TIP3 OH2 OT -0.834000 15.9994 0 + 8685 WT0 6006 TIP3 H1 HT 0.417000 1.0080 0 + 8686 WT0 6006 TIP3 H2 HT 0.417000 1.0080 0 + 8687 WT0 6008 TIP3 OH2 OT -0.834000 15.9994 0 + 8688 WT0 6008 TIP3 H1 HT 0.417000 1.0080 0 + 8689 WT0 6008 TIP3 H2 HT 0.417000 1.0080 0 + 8690 WT0 6012 TIP3 OH2 OT -0.834000 15.9994 0 + 8691 WT0 6012 TIP3 H1 HT 0.417000 1.0080 0 + 8692 WT0 6012 TIP3 H2 HT 0.417000 1.0080 0 + 8693 WT0 6014 TIP3 OH2 OT -0.834000 15.9994 0 + 8694 WT0 6014 TIP3 H1 HT 0.417000 1.0080 0 + 8695 WT0 6014 TIP3 H2 HT 0.417000 1.0080 0 + 8696 WT0 6016 TIP3 OH2 OT -0.834000 15.9994 0 + 8697 WT0 6016 TIP3 H1 HT 0.417000 1.0080 0 + 8698 WT0 6016 TIP3 H2 HT 0.417000 1.0080 0 + 8699 WT0 6017 TIP3 OH2 OT -0.834000 15.9994 0 + 8700 WT0 6017 TIP3 H1 HT 0.417000 1.0080 0 + 8701 WT0 6017 TIP3 H2 HT 0.417000 1.0080 0 + 8702 WT0 6019 TIP3 OH2 OT -0.834000 15.9994 0 + 8703 WT0 6019 TIP3 H1 HT 0.417000 1.0080 0 + 8704 WT0 6019 TIP3 H2 HT 0.417000 1.0080 0 + 8705 WT0 6021 TIP3 OH2 OT -0.834000 15.9994 0 + 8706 WT0 6021 TIP3 H1 HT 0.417000 1.0080 0 + 8707 WT0 6021 TIP3 H2 HT 0.417000 1.0080 0 + 8708 WT0 6022 TIP3 OH2 OT -0.834000 15.9994 0 + 8709 WT0 6022 TIP3 H1 HT 0.417000 1.0080 0 + 8710 WT0 6022 TIP3 H2 HT 0.417000 1.0080 0 + 8711 WT0 6031 TIP3 OH2 OT -0.834000 15.9994 0 + 8712 WT0 6031 TIP3 H1 HT 0.417000 1.0080 0 + 8713 WT0 6031 TIP3 H2 HT 0.417000 1.0080 0 + 8714 WT0 6034 TIP3 OH2 OT -0.834000 15.9994 0 + 8715 WT0 6034 TIP3 H1 HT 0.417000 1.0080 0 + 8716 WT0 6034 TIP3 H2 HT 0.417000 1.0080 0 + 8717 WT0 6036 TIP3 OH2 OT -0.834000 15.9994 0 + 8718 WT0 6036 TIP3 H1 HT 0.417000 1.0080 0 + 8719 WT0 6036 TIP3 H2 HT 0.417000 1.0080 0 + 8720 WT0 6038 TIP3 OH2 OT -0.834000 15.9994 0 + 8721 WT0 6038 TIP3 H1 HT 0.417000 1.0080 0 + 8722 WT0 6038 TIP3 H2 HT 0.417000 1.0080 0 + 8723 WT0 6041 TIP3 OH2 OT -0.834000 15.9994 0 + 8724 WT0 6041 TIP3 H1 HT 0.417000 1.0080 0 + 8725 WT0 6041 TIP3 H2 HT 0.417000 1.0080 0 + 8726 WT0 6042 TIP3 OH2 OT -0.834000 15.9994 0 + 8727 WT0 6042 TIP3 H1 HT 0.417000 1.0080 0 + 8728 WT0 6042 TIP3 H2 HT 0.417000 1.0080 0 + 8729 WT0 6046 TIP3 OH2 OT -0.834000 15.9994 0 + 8730 WT0 6046 TIP3 H1 HT 0.417000 1.0080 0 + 8731 WT0 6046 TIP3 H2 HT 0.417000 1.0080 0 + 8732 WT0 6048 TIP3 OH2 OT -0.834000 15.9994 0 + 8733 WT0 6048 TIP3 H1 HT 0.417000 1.0080 0 + 8734 WT0 6048 TIP3 H2 HT 0.417000 1.0080 0 + 8735 WT0 6057 TIP3 OH2 OT 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6091 TIP3 H1 HT 0.417000 1.0080 0 + 8758 WT0 6091 TIP3 H2 HT 0.417000 1.0080 0 + 8759 WT0 6096 TIP3 OH2 OT -0.834000 15.9994 0 + 8760 WT0 6096 TIP3 H1 HT 0.417000 1.0080 0 + 8761 WT0 6096 TIP3 H2 HT 0.417000 1.0080 0 + 8762 WT0 6110 TIP3 OH2 OT -0.834000 15.9994 0 + 8763 WT0 6110 TIP3 H1 HT 0.417000 1.0080 0 + 8764 WT0 6110 TIP3 H2 HT 0.417000 1.0080 0 + 8765 WT0 6117 TIP3 OH2 OT -0.834000 15.9994 0 + 8766 WT0 6117 TIP3 H1 HT 0.417000 1.0080 0 + 8767 WT0 6117 TIP3 H2 HT 0.417000 1.0080 0 + 8768 WT0 6118 TIP3 OH2 OT -0.834000 15.9994 0 + 8769 WT0 6118 TIP3 H1 HT 0.417000 1.0080 0 + 8770 WT0 6118 TIP3 H2 HT 0.417000 1.0080 0 + 8771 WT0 6122 TIP3 OH2 OT -0.834000 15.9994 0 + 8772 WT0 6122 TIP3 H1 HT 0.417000 1.0080 0 + 8773 WT0 6122 TIP3 H2 HT 0.417000 1.0080 0 + 8774 WT0 6123 TIP3 OH2 OT -0.834000 15.9994 0 + 8775 WT0 6123 TIP3 H1 HT 0.417000 1.0080 0 + 8776 WT0 6123 TIP3 H2 HT 0.417000 1.0080 0 + 8777 WT0 6124 TIP3 OH2 OT -0.834000 15.9994 0 + 8778 WT0 6124 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 8801 WT0 6161 TIP3 OH2 OT -0.834000 15.9994 0 + 8802 WT0 6161 TIP3 H1 HT 0.417000 1.0080 0 + 8803 WT0 6161 TIP3 H2 HT 0.417000 1.0080 0 + 8804 WT0 6163 TIP3 OH2 OT -0.834000 15.9994 0 + 8805 WT0 6163 TIP3 H1 HT 0.417000 1.0080 0 + 8806 WT0 6163 TIP3 H2 HT 0.417000 1.0080 0 + 8807 WT0 6177 TIP3 OH2 OT -0.834000 15.9994 0 + 8808 WT0 6177 TIP3 H1 HT 0.417000 1.0080 0 + 8809 WT0 6177 TIP3 H2 HT 0.417000 1.0080 0 + 8810 WT0 6178 TIP3 OH2 OT -0.834000 15.9994 0 + 8811 WT0 6178 TIP3 H1 HT 0.417000 1.0080 0 + 8812 WT0 6178 TIP3 H2 HT 0.417000 1.0080 0 + 8813 WT0 6180 TIP3 OH2 OT -0.834000 15.9994 0 + 8814 WT0 6180 TIP3 H1 HT 0.417000 1.0080 0 + 8815 WT0 6180 TIP3 H2 HT 0.417000 1.0080 0 + 8816 WT0 6183 TIP3 OH2 OT -0.834000 15.9994 0 + 8817 WT0 6183 TIP3 H1 HT 0.417000 1.0080 0 + 8818 WT0 6183 TIP3 H2 HT 0.417000 1.0080 0 + 8819 WT0 6184 TIP3 OH2 OT -0.834000 15.9994 0 + 8820 WT0 6184 TIP3 H1 HT 0.417000 1.0080 0 + 8821 WT0 6184 TIP3 H2 HT 0.417000 1.0080 0 + 8822 WT0 6187 TIP3 OH2 OT -0.834000 15.9994 0 + 8823 WT0 6187 TIP3 H1 HT 0.417000 1.0080 0 + 8824 WT0 6187 TIP3 H2 HT 0.417000 1.0080 0 + 8825 WT0 6188 TIP3 OH2 OT -0.834000 15.9994 0 + 8826 WT0 6188 TIP3 H1 HT 0.417000 1.0080 0 + 8827 WT0 6188 TIP3 H2 HT 0.417000 1.0080 0 + 8828 WT0 6193 TIP3 OH2 OT -0.834000 15.9994 0 + 8829 WT0 6193 TIP3 H1 HT 0.417000 1.0080 0 + 8830 WT0 6193 TIP3 H2 HT 0.417000 1.0080 0 + 8831 WT0 6195 TIP3 OH2 OT -0.834000 15.9994 0 + 8832 WT0 6195 TIP3 H1 HT 0.417000 1.0080 0 + 8833 WT0 6195 TIP3 H2 HT 0.417000 1.0080 0 + 8834 WT0 6198 TIP3 OH2 OT -0.834000 15.9994 0 + 8835 WT0 6198 TIP3 H1 HT 0.417000 1.0080 0 + 8836 WT0 6198 TIP3 H2 HT 0.417000 1.0080 0 + 8837 WT0 6200 TIP3 OH2 OT -0.834000 15.9994 0 + 8838 WT0 6200 TIP3 H1 HT 0.417000 1.0080 0 + 8839 WT0 6200 TIP3 H2 HT 0.417000 1.0080 0 + 8840 WT0 6204 TIP3 OH2 OT -0.834000 15.9994 0 + 8841 WT0 6204 TIP3 H1 HT 0.417000 1.0080 0 + 8842 WT0 6204 TIP3 H2 HT 0.417000 1.0080 0 + 8843 WT0 6208 TIP3 OH2 OT -0.834000 15.9994 0 + 8844 WT0 6208 TIP3 H1 HT 0.417000 1.0080 0 + 8845 WT0 6208 TIP3 H2 HT 0.417000 1.0080 0 + 8846 WT0 6218 TIP3 OH2 OT -0.834000 15.9994 0 + 8847 WT0 6218 TIP3 H1 HT 0.417000 1.0080 0 + 8848 WT0 6218 TIP3 H2 HT 0.417000 1.0080 0 + 8849 WT0 6219 TIP3 OH2 OT -0.834000 15.9994 0 + 8850 WT0 6219 TIP3 H1 HT 0.417000 1.0080 0 + 8851 WT0 6219 TIP3 H2 HT 0.417000 1.0080 0 + 8852 WT0 6220 TIP3 OH2 OT -0.834000 15.9994 0 + 8853 WT0 6220 TIP3 H1 HT 0.417000 1.0080 0 + 8854 WT0 6220 TIP3 H2 HT 0.417000 1.0080 0 + 8855 WT0 6224 TIP3 OH2 OT -0.834000 15.9994 0 + 8856 WT0 6224 TIP3 H1 HT 0.417000 1.0080 0 + 8857 WT0 6224 TIP3 H2 HT 0.417000 1.0080 0 + 8858 WT0 6225 TIP3 OH2 OT -0.834000 15.9994 0 + 8859 WT0 6225 TIP3 H1 HT 0.417000 1.0080 0 + 8860 WT0 6225 TIP3 H2 HT 0.417000 1.0080 0 + 8861 WT0 6227 TIP3 OH2 OT -0.834000 15.9994 0 + 8862 WT0 6227 TIP3 H1 HT 0.417000 1.0080 0 + 8863 WT0 6227 TIP3 H2 HT 0.417000 1.0080 0 + 8864 WT0 6228 TIP3 OH2 OT -0.834000 15.9994 0 + 8865 WT0 6228 TIP3 H1 HT 0.417000 1.0080 0 + 8866 WT0 6228 TIP3 H2 HT 0.417000 1.0080 0 + 8867 WT0 6229 TIP3 OH2 OT -0.834000 15.9994 0 + 8868 WT0 6229 TIP3 H1 HT 0.417000 1.0080 0 + 8869 WT0 6229 TIP3 H2 HT 0.417000 1.0080 0 + 8870 WT0 6230 TIP3 OH2 OT -0.834000 15.9994 0 + 8871 WT0 6230 TIP3 H1 HT 0.417000 1.0080 0 + 8872 WT0 6230 TIP3 H2 HT 0.417000 1.0080 0 + 8873 WT0 6231 TIP3 OH2 OT -0.834000 15.9994 0 + 8874 WT0 6231 TIP3 H1 HT 0.417000 1.0080 0 + 8875 WT0 6231 TIP3 H2 HT 0.417000 1.0080 0 + 8876 WT0 6233 TIP3 OH2 OT -0.834000 15.9994 0 + 8877 WT0 6233 TIP3 H1 HT 0.417000 1.0080 0 + 8878 WT0 6233 TIP3 H2 HT 0.417000 1.0080 0 + 8879 WT0 6238 TIP3 OH2 OT -0.834000 15.9994 0 + 8880 WT0 6238 TIP3 H1 HT 0.417000 1.0080 0 + 8881 WT0 6238 TIP3 H2 HT 0.417000 1.0080 0 + 8882 WT0 6240 TIP3 OH2 OT -0.834000 15.9994 0 + 8883 WT0 6240 TIP3 H1 HT 0.417000 1.0080 0 + 8884 WT0 6240 TIP3 H2 HT 0.417000 1.0080 0 + 8885 WT0 6241 TIP3 OH2 OT -0.834000 15.9994 0 + 8886 WT0 6241 TIP3 H1 HT 0.417000 1.0080 0 + 8887 WT0 6241 TIP3 H2 HT 0.417000 1.0080 0 + 8888 WT0 6242 TIP3 OH2 OT -0.834000 15.9994 0 + 8889 WT0 6242 TIP3 H1 HT 0.417000 1.0080 0 + 8890 WT0 6242 TIP3 H2 HT 0.417000 1.0080 0 + 8891 WT0 6243 TIP3 OH2 OT -0.834000 15.9994 0 + 8892 WT0 6243 TIP3 H1 HT 0.417000 1.0080 0 + 8893 WT0 6243 TIP3 H2 HT 0.417000 1.0080 0 + 8894 WT0 6245 TIP3 OH2 OT -0.834000 15.9994 0 + 8895 WT0 6245 TIP3 H1 HT 0.417000 1.0080 0 + 8896 WT0 6245 TIP3 H2 HT 0.417000 1.0080 0 + 8897 WT0 6246 TIP3 OH2 OT -0.834000 15.9994 0 + 8898 WT0 6246 TIP3 H1 HT 0.417000 1.0080 0 + 8899 WT0 6246 TIP3 H2 HT 0.417000 1.0080 0 + 8900 WT0 6247 TIP3 OH2 OT -0.834000 15.9994 0 + 8901 WT0 6247 TIP3 H1 HT 0.417000 1.0080 0 + 8902 WT0 6247 TIP3 H2 HT 0.417000 1.0080 0 + 8903 WT0 6249 TIP3 OH2 OT -0.834000 15.9994 0 + 8904 WT0 6249 TIP3 H1 HT 0.417000 1.0080 0 + 8905 WT0 6249 TIP3 H2 HT 0.417000 1.0080 0 + 8906 WT0 6250 TIP3 OH2 OT -0.834000 15.9994 0 + 8907 WT0 6250 TIP3 H1 HT 0.417000 1.0080 0 + 8908 WT0 6250 TIP3 H2 HT 0.417000 1.0080 0 + 8909 WT0 6252 TIP3 OH2 OT -0.834000 15.9994 0 + 8910 WT0 6252 TIP3 H1 HT 0.417000 1.0080 0 + 8911 WT0 6252 TIP3 H2 HT 0.417000 1.0080 0 + 8912 WT0 6253 TIP3 OH2 OT -0.834000 15.9994 0 + 8913 WT0 6253 TIP3 H1 HT 0.417000 1.0080 0 + 8914 WT0 6253 TIP3 H2 HT 0.417000 1.0080 0 + 8915 WT0 6254 TIP3 OH2 OT -0.834000 15.9994 0 + 8916 WT0 6254 TIP3 H1 HT 0.417000 1.0080 0 + 8917 WT0 6254 TIP3 H2 HT 0.417000 1.0080 0 + 8918 WT0 6256 TIP3 OH2 OT -0.834000 15.9994 0 + 8919 WT0 6256 TIP3 H1 HT 0.417000 1.0080 0 + 8920 WT0 6256 TIP3 H2 HT 0.417000 1.0080 0 + 8921 WT0 6262 TIP3 OH2 OT -0.834000 15.9994 0 + 8922 WT0 6262 TIP3 H1 HT 0.417000 1.0080 0 + 8923 WT0 6262 TIP3 H2 HT 0.417000 1.0080 0 + 8924 WT0 6263 TIP3 OH2 OT -0.834000 15.9994 0 + 8925 WT0 6263 TIP3 H1 HT 0.417000 1.0080 0 + 8926 WT0 6263 TIP3 H2 HT 0.417000 1.0080 0 + 8927 WT0 6264 TIP3 OH2 OT -0.834000 15.9994 0 + 8928 WT0 6264 TIP3 H1 HT 0.417000 1.0080 0 + 8929 WT0 6264 TIP3 H2 HT 0.417000 1.0080 0 + 8930 WT0 6265 TIP3 OH2 OT -0.834000 15.9994 0 + 8931 WT0 6265 TIP3 H1 HT 0.417000 1.0080 0 + 8932 WT0 6265 TIP3 H2 HT 0.417000 1.0080 0 + 8933 WT0 6266 TIP3 OH2 OT -0.834000 15.9994 0 + 8934 WT0 6266 TIP3 H1 HT 0.417000 1.0080 0 + 8935 WT0 6266 TIP3 H2 HT 0.417000 1.0080 0 + 8936 WT0 6267 TIP3 OH2 OT -0.834000 15.9994 0 + 8937 WT0 6267 TIP3 H1 HT 0.417000 1.0080 0 + 8938 WT0 6267 TIP3 H2 HT 0.417000 1.0080 0 + 8939 WT0 6269 TIP3 OH2 OT -0.834000 15.9994 0 + 8940 WT0 6269 TIP3 H1 HT 0.417000 1.0080 0 + 8941 WT0 6269 TIP3 H2 HT 0.417000 1.0080 0 + 8942 WT0 6270 TIP3 OH2 OT -0.834000 15.9994 0 + 8943 WT0 6270 TIP3 H1 HT 0.417000 1.0080 0 + 8944 WT0 6270 TIP3 H2 HT 0.417000 1.0080 0 + 8945 WT0 6277 TIP3 OH2 OT -0.834000 15.9994 0 + 8946 WT0 6277 TIP3 H1 HT 0.417000 1.0080 0 + 8947 WT0 6277 TIP3 H2 HT 0.417000 1.0080 0 + 8948 WT0 6285 TIP3 OH2 OT -0.834000 15.9994 0 + 8949 WT0 6285 TIP3 H1 HT 0.417000 1.0080 0 + 8950 WT0 6285 TIP3 H2 HT 0.417000 1.0080 0 + 8951 WT0 6286 TIP3 OH2 OT -0.834000 15.9994 0 + 8952 WT0 6286 TIP3 H1 HT 0.417000 1.0080 0 + 8953 WT0 6286 TIP3 H2 HT 0.417000 1.0080 0 + 8954 WT0 6287 TIP3 OH2 OT -0.834000 15.9994 0 + 8955 WT0 6287 TIP3 H1 HT 0.417000 1.0080 0 + 8956 WT0 6287 TIP3 H2 HT 0.417000 1.0080 0 + 8957 WT0 6288 TIP3 OH2 OT -0.834000 15.9994 0 + 8958 WT0 6288 TIP3 H1 HT 0.417000 1.0080 0 + 8959 WT0 6288 TIP3 H2 HT 0.417000 1.0080 0 + 8960 WT0 6289 TIP3 OH2 OT -0.834000 15.9994 0 + 8961 WT0 6289 TIP3 H1 HT 0.417000 1.0080 0 + 8962 WT0 6289 TIP3 H2 HT 0.417000 1.0080 0 + 8963 WT0 6290 TIP3 OH2 OT -0.834000 15.9994 0 + 8964 WT0 6290 TIP3 H1 HT 0.417000 1.0080 0 + 8965 WT0 6290 TIP3 H2 HT 0.417000 1.0080 0 + 8966 WT0 6291 TIP3 OH2 OT -0.834000 15.9994 0 + 8967 WT0 6291 TIP3 H1 HT 0.417000 1.0080 0 + 8968 WT0 6291 TIP3 H2 HT 0.417000 1.0080 0 + 8969 WT0 6292 TIP3 OH2 OT -0.834000 15.9994 0 + 8970 WT0 6292 TIP3 H1 HT 0.417000 1.0080 0 + 8971 WT0 6292 TIP3 H2 HT 0.417000 1.0080 0 + 8972 WT0 6293 TIP3 OH2 OT -0.834000 15.9994 0 + 8973 WT0 6293 TIP3 H1 HT 0.417000 1.0080 0 + 8974 WT0 6293 TIP3 H2 HT 0.417000 1.0080 0 + 8975 WT0 6294 TIP3 OH2 OT -0.834000 15.9994 0 + 8976 WT0 6294 TIP3 H1 HT 0.417000 1.0080 0 + 8977 WT0 6294 TIP3 H2 HT 0.417000 1.0080 0 + 8978 WT0 6296 TIP3 OH2 OT -0.834000 15.9994 0 + 8979 WT0 6296 TIP3 H1 HT 0.417000 1.0080 0 + 8980 WT0 6296 TIP3 H2 HT 0.417000 1.0080 0 + 8981 WT0 6297 TIP3 OH2 OT -0.834000 15.9994 0 + 8982 WT0 6297 TIP3 H1 HT 0.417000 1.0080 0 + 8983 WT0 6297 TIP3 H2 HT 0.417000 1.0080 0 + 8984 WT0 6298 TIP3 OH2 OT -0.834000 15.9994 0 + 8985 WT0 6298 TIP3 H1 HT 0.417000 1.0080 0 + 8986 WT0 6298 TIP3 H2 HT 0.417000 1.0080 0 + 8987 WT0 6300 TIP3 OH2 OT -0.834000 15.9994 0 + 8988 WT0 6300 TIP3 H1 HT 0.417000 1.0080 0 + 8989 WT0 6300 TIP3 H2 HT 0.417000 1.0080 0 + 8990 WT0 6302 TIP3 OH2 OT -0.834000 15.9994 0 + 8991 WT0 6302 TIP3 H1 HT 0.417000 1.0080 0 + 8992 WT0 6302 TIP3 H2 HT 0.417000 1.0080 0 + 8993 WT0 6303 TIP3 OH2 OT -0.834000 15.9994 0 + 8994 WT0 6303 TIP3 H1 HT 0.417000 1.0080 0 + 8995 WT0 6303 TIP3 H2 HT 0.417000 1.0080 0 + 8996 WT0 6304 TIP3 OH2 OT -0.834000 15.9994 0 + 8997 WT0 6304 TIP3 H1 HT 0.417000 1.0080 0 + 8998 WT0 6304 TIP3 H2 HT 0.417000 1.0080 0 + 8999 WT0 6306 TIP3 OH2 OT -0.834000 15.9994 0 + 9000 WT0 6306 TIP3 H1 HT 0.417000 1.0080 0 + 9001 WT0 6306 TIP3 H2 HT 0.417000 1.0080 0 + 9002 WT0 6308 TIP3 OH2 OT -0.834000 15.9994 0 + 9003 WT0 6308 TIP3 H1 HT 0.417000 1.0080 0 + 9004 WT0 6308 TIP3 H2 HT 0.417000 1.0080 0 + 9005 WT0 6309 TIP3 OH2 OT -0.834000 15.9994 0 + 9006 WT0 6309 TIP3 H1 HT 0.417000 1.0080 0 + 9007 WT0 6309 TIP3 H2 HT 0.417000 1.0080 0 + 9008 WT0 6310 TIP3 OH2 OT -0.834000 15.9994 0 + 9009 WT0 6310 TIP3 H1 HT 0.417000 1.0080 0 + 9010 WT0 6310 TIP3 H2 HT 0.417000 1.0080 0 + 9011 WT0 6311 TIP3 OH2 OT -0.834000 15.9994 0 + 9012 WT0 6311 TIP3 H1 HT 0.417000 1.0080 0 + 9013 WT0 6311 TIP3 H2 HT 0.417000 1.0080 0 + 9014 WT0 6312 TIP3 OH2 OT -0.834000 15.9994 0 + 9015 WT0 6312 TIP3 H1 HT 0.417000 1.0080 0 + 9016 WT0 6312 TIP3 H2 HT 0.417000 1.0080 0 + 9017 WT0 6313 TIP3 OH2 OT -0.834000 15.9994 0 + 9018 WT0 6313 TIP3 H1 HT 0.417000 1.0080 0 + 9019 WT0 6313 TIP3 H2 HT 0.417000 1.0080 0 + 9020 WT0 6314 TIP3 OH2 OT -0.834000 15.9994 0 + 9021 WT0 6314 TIP3 H1 HT 0.417000 1.0080 0 + 9022 WT0 6314 TIP3 H2 HT 0.417000 1.0080 0 + 9023 WT0 6315 TIP3 OH2 OT -0.834000 15.9994 0 + 9024 WT0 6315 TIP3 H1 HT 0.417000 1.0080 0 + 9025 WT0 6315 TIP3 H2 HT 0.417000 1.0080 0 + 9026 WT0 6316 TIP3 OH2 OT -0.834000 15.9994 0 + 9027 WT0 6316 TIP3 H1 HT 0.417000 1.0080 0 + 9028 WT0 6316 TIP3 H2 HT 0.417000 1.0080 0 + 9029 WT0 6318 TIP3 OH2 OT -0.834000 15.9994 0 + 9030 WT0 6318 TIP3 H1 HT 0.417000 1.0080 0 + 9031 WT0 6318 TIP3 H2 HT 0.417000 1.0080 0 + 9032 WT0 6319 TIP3 OH2 OT -0.834000 15.9994 0 + 9033 WT0 6319 TIP3 H1 HT 0.417000 1.0080 0 + 9034 WT0 6319 TIP3 H2 HT 0.417000 1.0080 0 + 9035 WT0 6323 TIP3 OH2 OT -0.834000 15.9994 0 + 9036 WT0 6323 TIP3 H1 HT 0.417000 1.0080 0 + 9037 WT0 6323 TIP3 H2 HT 0.417000 1.0080 0 + 9038 WT0 6324 TIP3 OH2 OT -0.834000 15.9994 0 + 9039 WT0 6324 TIP3 H1 HT 0.417000 1.0080 0 + 9040 WT0 6324 TIP3 H2 HT 0.417000 1.0080 0 + 9041 WT0 6326 TIP3 OH2 OT -0.834000 15.9994 0 + 9042 WT0 6326 TIP3 H1 HT 0.417000 1.0080 0 + 9043 WT0 6326 TIP3 H2 HT 0.417000 1.0080 0 + 9044 WT0 6327 TIP3 OH2 OT -0.834000 15.9994 0 + 9045 WT0 6327 TIP3 H1 HT 0.417000 1.0080 0 + 9046 WT0 6327 TIP3 H2 HT 0.417000 1.0080 0 + 9047 WT0 6329 TIP3 OH2 OT -0.834000 15.9994 0 + 9048 WT0 6329 TIP3 H1 HT 0.417000 1.0080 0 + 9049 WT0 6329 TIP3 H2 HT 0.417000 1.0080 0 + 9050 WT0 6330 TIP3 OH2 OT -0.834000 15.9994 0 + 9051 WT0 6330 TIP3 H1 HT 0.417000 1.0080 0 + 9052 WT0 6330 TIP3 H2 HT 0.417000 1.0080 0 + 9053 WT0 6331 TIP3 OH2 OT -0.834000 15.9994 0 + 9054 WT0 6331 TIP3 H1 HT 0.417000 1.0080 0 + 9055 WT0 6331 TIP3 H2 HT 0.417000 1.0080 0 + 9056 WT0 6333 TIP3 OH2 OT -0.834000 15.9994 0 + 9057 WT0 6333 TIP3 H1 HT 0.417000 1.0080 0 + 9058 WT0 6333 TIP3 H2 HT 0.417000 1.0080 0 + 9059 WT0 6334 TIP3 OH2 OT -0.834000 15.9994 0 + 9060 WT0 6334 TIP3 H1 HT 0.417000 1.0080 0 + 9061 WT0 6334 TIP3 H2 HT 0.417000 1.0080 0 + 9062 WT0 6336 TIP3 OH2 OT -0.834000 15.9994 0 + 9063 WT0 6336 TIP3 H1 HT 0.417000 1.0080 0 + 9064 WT0 6336 TIP3 H2 HT 0.417000 1.0080 0 + 9065 WT0 6338 TIP3 OH2 OT -0.834000 15.9994 0 + 9066 WT0 6338 TIP3 H1 HT 0.417000 1.0080 0 + 9067 WT0 6338 TIP3 H2 HT 0.417000 1.0080 0 + 9068 WT0 6339 TIP3 OH2 OT -0.834000 15.9994 0 + 9069 WT0 6339 TIP3 H1 HT 0.417000 1.0080 0 + 9070 WT0 6339 TIP3 H2 HT 0.417000 1.0080 0 + 9071 WT0 6341 TIP3 OH2 OT -0.834000 15.9994 0 + 9072 WT0 6341 TIP3 H1 HT 0.417000 1.0080 0 + 9073 WT0 6341 TIP3 H2 HT 0.417000 1.0080 0 + 9074 WT0 6345 TIP3 OH2 OT -0.834000 15.9994 0 + 9075 WT0 6345 TIP3 H1 HT 0.417000 1.0080 0 + 9076 WT0 6345 TIP3 H2 HT 0.417000 1.0080 0 + 9077 WT0 6347 TIP3 OH2 OT -0.834000 15.9994 0 + 9078 WT0 6347 TIP3 H1 HT 0.417000 1.0080 0 + 9079 WT0 6347 TIP3 H2 HT 0.417000 1.0080 0 + 9080 WT0 6348 TIP3 OH2 OT -0.834000 15.9994 0 + 9081 WT0 6348 TIP3 H1 HT 0.417000 1.0080 0 + 9082 WT0 6348 TIP3 H2 HT 0.417000 1.0080 0 + 9083 WT0 6351 TIP3 OH2 OT -0.834000 15.9994 0 + 9084 WT0 6351 TIP3 H1 HT 0.417000 1.0080 0 + 9085 WT0 6351 TIP3 H2 HT 0.417000 1.0080 0 + 9086 WT0 6355 TIP3 OH2 OT -0.834000 15.9994 0 + 9087 WT0 6355 TIP3 H1 HT 0.417000 1.0080 0 + 9088 WT0 6355 TIP3 H2 HT 0.417000 1.0080 0 + 9089 WT0 6357 TIP3 OH2 OT -0.834000 15.9994 0 + 9090 WT0 6357 TIP3 H1 HT 0.417000 1.0080 0 + 9091 WT0 6357 TIP3 H2 HT 0.417000 1.0080 0 + 9092 WT0 6358 TIP3 OH2 OT -0.834000 15.9994 0 + 9093 WT0 6358 TIP3 H1 HT 0.417000 1.0080 0 + 9094 WT0 6358 TIP3 H2 HT 0.417000 1.0080 0 + 9095 WT0 6361 TIP3 OH2 OT -0.834000 15.9994 0 + 9096 WT0 6361 TIP3 H1 HT 0.417000 1.0080 0 + 9097 WT0 6361 TIP3 H2 HT 0.417000 1.0080 0 + 9098 WT0 6364 TIP3 OH2 OT -0.834000 15.9994 0 + 9099 WT0 6364 TIP3 H1 HT 0.417000 1.0080 0 + 9100 WT0 6364 TIP3 H2 HT 0.417000 1.0080 0 + 9101 WT0 6366 TIP3 OH2 OT -0.834000 15.9994 0 + 9102 WT0 6366 TIP3 H1 HT 0.417000 1.0080 0 + 9103 WT0 6366 TIP3 H2 HT 0.417000 1.0080 0 + 9104 WT0 6367 TIP3 OH2 OT -0.834000 15.9994 0 + 9105 WT0 6367 TIP3 H1 HT 0.417000 1.0080 0 + 9106 WT0 6367 TIP3 H2 HT 0.417000 1.0080 0 + 9107 WT0 6370 TIP3 OH2 OT -0.834000 15.9994 0 + 9108 WT0 6370 TIP3 H1 HT 0.417000 1.0080 0 + 9109 WT0 6370 TIP3 H2 HT 0.417000 1.0080 0 + 9110 WT0 6372 TIP3 OH2 OT -0.834000 15.9994 0 + 9111 WT0 6372 TIP3 H1 HT 0.417000 1.0080 0 + 9112 WT0 6372 TIP3 H2 HT 0.417000 1.0080 0 + 9113 WT0 6375 TIP3 OH2 OT -0.834000 15.9994 0 + 9114 WT0 6375 TIP3 H1 HT 0.417000 1.0080 0 + 9115 WT0 6375 TIP3 H2 HT 0.417000 1.0080 0 + 9116 WT0 6376 TIP3 OH2 OT -0.834000 15.9994 0 + 9117 WT0 6376 TIP3 H1 HT 0.417000 1.0080 0 + 9118 WT0 6376 TIP3 H2 HT 0.417000 1.0080 0 + 9119 WT0 6380 TIP3 OH2 OT -0.834000 15.9994 0 + 9120 WT0 6380 TIP3 H1 HT 0.417000 1.0080 0 + 9121 WT0 6380 TIP3 H2 HT 0.417000 1.0080 0 + 9122 WT0 6381 TIP3 OH2 OT -0.834000 15.9994 0 + 9123 WT0 6381 TIP3 H1 HT 0.417000 1.0080 0 + 9124 WT0 6381 TIP3 H2 HT 0.417000 1.0080 0 + 9125 WT0 6385 TIP3 OH2 OT -0.834000 15.9994 0 + 9126 WT0 6385 TIP3 H1 HT 0.417000 1.0080 0 + 9127 WT0 6385 TIP3 H2 HT 0.417000 1.0080 0 + 9128 WT0 6388 TIP3 OH2 OT -0.834000 15.9994 0 + 9129 WT0 6388 TIP3 H1 HT 0.417000 1.0080 0 + 9130 WT0 6388 TIP3 H2 HT 0.417000 1.0080 0 + 9131 WT0 6390 TIP3 OH2 OT -0.834000 15.9994 0 + 9132 WT0 6390 TIP3 H1 HT 0.417000 1.0080 0 + 9133 WT0 6390 TIP3 H2 HT 0.417000 1.0080 0 + 9134 WT0 6391 TIP3 OH2 OT -0.834000 15.9994 0 + 9135 WT0 6391 TIP3 H1 HT 0.417000 1.0080 0 + 9136 WT0 6391 TIP3 H2 HT 0.417000 1.0080 0 + 9137 WT0 6392 TIP3 OH2 OT -0.834000 15.9994 0 + 9138 WT0 6392 TIP3 H1 HT 0.417000 1.0080 0 + 9139 WT0 6392 TIP3 H2 HT 0.417000 1.0080 0 + 9140 WT0 6393 TIP3 OH2 OT -0.834000 15.9994 0 + 9141 WT0 6393 TIP3 H1 HT 0.417000 1.0080 0 + 9142 WT0 6393 TIP3 H2 HT 0.417000 1.0080 0 + 9143 WT0 6395 TIP3 OH2 OT -0.834000 15.9994 0 + 9144 WT0 6395 TIP3 H1 HT 0.417000 1.0080 0 + 9145 WT0 6395 TIP3 H2 HT 0.417000 1.0080 0 + 9146 WT0 6396 TIP3 OH2 OT -0.834000 15.9994 0 + 9147 WT0 6396 TIP3 H1 HT 0.417000 1.0080 0 + 9148 WT0 6396 TIP3 H2 HT 0.417000 1.0080 0 + 9149 WT0 6398 TIP3 OH2 OT -0.834000 15.9994 0 + 9150 WT0 6398 TIP3 H1 HT 0.417000 1.0080 0 + 9151 WT0 6398 TIP3 H2 HT 0.417000 1.0080 0 + 9152 WT0 6399 TIP3 OH2 OT -0.834000 15.9994 0 + 9153 WT0 6399 TIP3 H1 HT 0.417000 1.0080 0 + 9154 WT0 6399 TIP3 H2 HT 0.417000 1.0080 0 + 9155 WT0 6403 TIP3 OH2 OT -0.834000 15.9994 0 + 9156 WT0 6403 TIP3 H1 HT 0.417000 1.0080 0 + 9157 WT0 6403 TIP3 H2 HT 0.417000 1.0080 0 + 9158 WT0 6404 TIP3 OH2 OT -0.834000 15.9994 0 + 9159 WT0 6404 TIP3 H1 HT 0.417000 1.0080 0 + 9160 WT0 6404 TIP3 H2 HT 0.417000 1.0080 0 + 9161 WT0 6407 TIP3 OH2 OT -0.834000 15.9994 0 + 9162 WT0 6407 TIP3 H1 HT 0.417000 1.0080 0 + 9163 WT0 6407 TIP3 H2 HT 0.417000 1.0080 0 + 9164 WT0 6408 TIP3 OH2 OT -0.834000 15.9994 0 + 9165 WT0 6408 TIP3 H1 HT 0.417000 1.0080 0 + 9166 WT0 6408 TIP3 H2 HT 0.417000 1.0080 0 + 9167 WT0 6409 TIP3 OH2 OT -0.834000 15.9994 0 + 9168 WT0 6409 TIP3 H1 HT 0.417000 1.0080 0 + 9169 WT0 6409 TIP3 H2 HT 0.417000 1.0080 0 + 9170 WT0 6412 TIP3 OH2 OT -0.834000 15.9994 0 + 9171 WT0 6412 TIP3 H1 HT 0.417000 1.0080 0 + 9172 WT0 6412 TIP3 H2 HT 0.417000 1.0080 0 + 9173 WT0 6413 TIP3 OH2 OT -0.834000 15.9994 0 + 9174 WT0 6413 TIP3 H1 HT 0.417000 1.0080 0 + 9175 WT0 6413 TIP3 H2 HT 0.417000 1.0080 0 + 9176 WT0 6414 TIP3 OH2 OT -0.834000 15.9994 0 + 9177 WT0 6414 TIP3 H1 HT 0.417000 1.0080 0 + 9178 WT0 6414 TIP3 H2 HT 0.417000 1.0080 0 + 9179 WT0 6415 TIP3 OH2 OT -0.834000 15.9994 0 + 9180 WT0 6415 TIP3 H1 HT 0.417000 1.0080 0 + 9181 WT0 6415 TIP3 H2 HT 0.417000 1.0080 0 + 9182 WT0 6416 TIP3 OH2 OT -0.834000 15.9994 0 + 9183 WT0 6416 TIP3 H1 HT 0.417000 1.0080 0 + 9184 WT0 6416 TIP3 H2 HT 0.417000 1.0080 0 + 9185 WT0 6417 TIP3 OH2 OT -0.834000 15.9994 0 + 9186 WT0 6417 TIP3 H1 HT 0.417000 1.0080 0 + 9187 WT0 6417 TIP3 H2 HT 0.417000 1.0080 0 + 9188 WT0 6422 TIP3 OH2 OT -0.834000 15.9994 0 + 9189 WT0 6422 TIP3 H1 HT 0.417000 1.0080 0 + 9190 WT0 6422 TIP3 H2 HT 0.417000 1.0080 0 + 9191 WT0 6424 TIP3 OH2 OT -0.834000 15.9994 0 + 9192 WT0 6424 TIP3 H1 HT 0.417000 1.0080 0 + 9193 WT0 6424 TIP3 H2 HT 0.417000 1.0080 0 + 9194 WT0 6425 TIP3 OH2 OT -0.834000 15.9994 0 + 9195 WT0 6425 TIP3 H1 HT 0.417000 1.0080 0 + 9196 WT0 6425 TIP3 H2 HT 0.417000 1.0080 0 + 9197 WT0 6428 TIP3 OH2 OT -0.834000 15.9994 0 + 9198 WT0 6428 TIP3 H1 HT 0.417000 1.0080 0 + 9199 WT0 6428 TIP3 H2 HT 0.417000 1.0080 0 + 9200 WT0 6429 TIP3 OH2 OT -0.834000 15.9994 0 + 9201 WT0 6429 TIP3 H1 HT 0.417000 1.0080 0 + 9202 WT0 6429 TIP3 H2 HT 0.417000 1.0080 0 + 9203 WT0 6430 TIP3 OH2 OT -0.834000 15.9994 0 + 9204 WT0 6430 TIP3 H1 HT 0.417000 1.0080 0 + 9205 WT0 6430 TIP3 H2 HT 0.417000 1.0080 0 + 9206 WT0 6436 TIP3 OH2 OT -0.834000 15.9994 0 + 9207 WT0 6436 TIP3 H1 HT 0.417000 1.0080 0 + 9208 WT0 6436 TIP3 H2 HT 0.417000 1.0080 0 + 9209 WT0 6439 TIP3 OH2 OT -0.834000 15.9994 0 + 9210 WT0 6439 TIP3 H1 HT 0.417000 1.0080 0 + 9211 WT0 6439 TIP3 H2 HT 0.417000 1.0080 0 + 9212 WT0 6440 TIP3 OH2 OT -0.834000 15.9994 0 + 9213 WT0 6440 TIP3 H1 HT 0.417000 1.0080 0 + 9214 WT0 6440 TIP3 H2 HT 0.417000 1.0080 0 + 9215 WT0 6444 TIP3 OH2 OT -0.834000 15.9994 0 + 9216 WT0 6444 TIP3 H1 HT 0.417000 1.0080 0 + 9217 WT0 6444 TIP3 H2 HT 0.417000 1.0080 0 + 9218 WT0 6445 TIP3 OH2 OT -0.834000 15.9994 0 + 9219 WT0 6445 TIP3 H1 HT 0.417000 1.0080 0 + 9220 WT0 6445 TIP3 H2 HT 0.417000 1.0080 0 + 9221 WT0 6448 TIP3 OH2 OT -0.834000 15.9994 0 + 9222 WT0 6448 TIP3 H1 HT 0.417000 1.0080 0 + 9223 WT0 6448 TIP3 H2 HT 0.417000 1.0080 0 + 9224 WT0 6449 TIP3 OH2 OT -0.834000 15.9994 0 + 9225 WT0 6449 TIP3 H1 HT 0.417000 1.0080 0 + 9226 WT0 6449 TIP3 H2 HT 0.417000 1.0080 0 + 9227 WT0 6452 TIP3 OH2 OT -0.834000 15.9994 0 + 9228 WT0 6452 TIP3 H1 HT 0.417000 1.0080 0 + 9229 WT0 6452 TIP3 H2 HT 0.417000 1.0080 0 + 9230 WT0 6457 TIP3 OH2 OT -0.834000 15.9994 0 + 9231 WT0 6457 TIP3 H1 HT 0.417000 1.0080 0 + 9232 WT0 6457 TIP3 H2 HT 0.417000 1.0080 0 + 9233 WT0 6458 TIP3 OH2 OT -0.834000 15.9994 0 + 9234 WT0 6458 TIP3 H1 HT 0.417000 1.0080 0 + 9235 WT0 6458 TIP3 H2 HT 0.417000 1.0080 0 + 9236 WT0 6459 TIP3 OH2 OT -0.834000 15.9994 0 + 9237 WT0 6459 TIP3 H1 HT 0.417000 1.0080 0 + 9238 WT0 6459 TIP3 H2 HT 0.417000 1.0080 0 + 9239 WT0 6460 TIP3 OH2 OT -0.834000 15.9994 0 + 9240 WT0 6460 TIP3 H1 HT 0.417000 1.0080 0 + 9241 WT0 6460 TIP3 H2 HT 0.417000 1.0080 0 + 9242 WT0 6463 TIP3 OH2 OT -0.834000 15.9994 0 + 9243 WT0 6463 TIP3 H1 HT 0.417000 1.0080 0 + 9244 WT0 6463 TIP3 H2 HT 0.417000 1.0080 0 + 9245 WT0 6464 TIP3 OH2 OT -0.834000 15.9994 0 + 9246 WT0 6464 TIP3 H1 HT 0.417000 1.0080 0 + 9247 WT0 6464 TIP3 H2 HT 0.417000 1.0080 0 + 9248 WT0 6469 TIP3 OH2 OT -0.834000 15.9994 0 + 9249 WT0 6469 TIP3 H1 HT 0.417000 1.0080 0 + 9250 WT0 6469 TIP3 H2 HT 0.417000 1.0080 0 + 9251 WT0 6477 TIP3 OH2 OT -0.834000 15.9994 0 + 9252 WT0 6477 TIP3 H1 HT 0.417000 1.0080 0 + 9253 WT0 6477 TIP3 H2 HT 0.417000 1.0080 0 + 9254 WT0 6480 TIP3 OH2 OT -0.834000 15.9994 0 + 9255 WT0 6480 TIP3 H1 HT 0.417000 1.0080 0 + 9256 WT0 6480 TIP3 H2 HT 0.417000 1.0080 0 + 9257 WT0 6483 TIP3 OH2 OT -0.834000 15.9994 0 + 9258 WT0 6483 TIP3 H1 HT 0.417000 1.0080 0 + 9259 WT0 6483 TIP3 H2 HT 0.417000 1.0080 0 + 9260 WT0 6491 TIP3 OH2 OT -0.834000 15.9994 0 + 9261 WT0 6491 TIP3 H1 HT 0.417000 1.0080 0 + 9262 WT0 6491 TIP3 H2 HT 0.417000 1.0080 0 + 9263 WT0 6492 TIP3 OH2 OT -0.834000 15.9994 0 + 9264 WT0 6492 TIP3 H1 HT 0.417000 1.0080 0 + 9265 WT0 6492 TIP3 H2 HT 0.417000 1.0080 0 + 9266 WT0 6498 TIP3 OH2 OT -0.834000 15.9994 0 + 9267 WT0 6498 TIP3 H1 HT 0.417000 1.0080 0 + 9268 WT0 6498 TIP3 H2 HT 0.417000 1.0080 0 + 9269 WT0 6499 TIP3 OH2 OT -0.834000 15.9994 0 + 9270 WT0 6499 TIP3 H1 HT 0.417000 1.0080 0 + 9271 WT0 6499 TIP3 H2 HT 0.417000 1.0080 0 + 9272 WT0 6502 TIP3 OH2 OT -0.834000 15.9994 0 + 9273 WT0 6502 TIP3 H1 HT 0.417000 1.0080 0 + 9274 WT0 6502 TIP3 H2 HT 0.417000 1.0080 0 + 9275 WT0 6505 TIP3 OH2 OT -0.834000 15.9994 0 + 9276 WT0 6505 TIP3 H1 HT 0.417000 1.0080 0 + 9277 WT0 6505 TIP3 H2 HT 0.417000 1.0080 0 + 9278 WT0 6517 TIP3 OH2 OT -0.834000 15.9994 0 + 9279 WT0 6517 TIP3 H1 HT 0.417000 1.0080 0 + 9280 WT0 6517 TIP3 H2 HT 0.417000 1.0080 0 + 9281 WT0 6518 TIP3 OH2 OT -0.834000 15.9994 0 + 9282 WT0 6518 TIP3 H1 HT 0.417000 1.0080 0 + 9283 WT0 6518 TIP3 H2 HT 0.417000 1.0080 0 + 9284 WT0 6519 TIP3 OH2 OT -0.834000 15.9994 0 + 9285 WT0 6519 TIP3 H1 HT 0.417000 1.0080 0 + 9286 WT0 6519 TIP3 H2 HT 0.417000 1.0080 0 + 9287 WT0 6523 TIP3 OH2 OT -0.834000 15.9994 0 + 9288 WT0 6523 TIP3 H1 HT 0.417000 1.0080 0 + 9289 WT0 6523 TIP3 H2 HT 0.417000 1.0080 0 + 9290 WT0 6529 TIP3 OH2 OT -0.834000 15.9994 0 + 9291 WT0 6529 TIP3 H1 HT 0.417000 1.0080 0 + 9292 WT0 6529 TIP3 H2 HT 0.417000 1.0080 0 + 9293 WT0 6536 TIP3 OH2 OT -0.834000 15.9994 0 + 9294 WT0 6536 TIP3 H1 HT 0.417000 1.0080 0 + 9295 WT0 6536 TIP3 H2 HT 0.417000 1.0080 0 + 9296 WT0 6542 TIP3 OH2 OT -0.834000 15.9994 0 + 9297 WT0 6542 TIP3 H1 HT 0.417000 1.0080 0 + 9298 WT0 6542 TIP3 H2 HT 0.417000 1.0080 0 + 9299 WT0 6545 TIP3 OH2 OT 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6564 TIP3 H1 HT 0.417000 1.0080 0 + 9322 WT0 6564 TIP3 H2 HT 0.417000 1.0080 0 + 9323 WT0 6575 TIP3 OH2 OT -0.834000 15.9994 0 + 9324 WT0 6575 TIP3 H1 HT 0.417000 1.0080 0 + 9325 WT0 6575 TIP3 H2 HT 0.417000 1.0080 0 + 9326 WT0 6577 TIP3 OH2 OT -0.834000 15.9994 0 + 9327 WT0 6577 TIP3 H1 HT 0.417000 1.0080 0 + 9328 WT0 6577 TIP3 H2 HT 0.417000 1.0080 0 + 9329 WT0 6578 TIP3 OH2 OT -0.834000 15.9994 0 + 9330 WT0 6578 TIP3 H1 HT 0.417000 1.0080 0 + 9331 WT0 6578 TIP3 H2 HT 0.417000 1.0080 0 + 9332 WT0 6583 TIP3 OH2 OT -0.834000 15.9994 0 + 9333 WT0 6583 TIP3 H1 HT 0.417000 1.0080 0 + 9334 WT0 6583 TIP3 H2 HT 0.417000 1.0080 0 + 9335 WT0 6592 TIP3 OH2 OT -0.834000 15.9994 0 + 9336 WT0 6592 TIP3 H1 HT 0.417000 1.0080 0 + 9337 WT0 6592 TIP3 H2 HT 0.417000 1.0080 0 + 9338 WT0 6597 TIP3 OH2 OT -0.834000 15.9994 0 + 9339 WT0 6597 TIP3 H1 HT 0.417000 1.0080 0 + 9340 WT0 6597 TIP3 H2 HT 0.417000 1.0080 0 + 9341 WT0 6602 TIP3 OH2 OT -0.834000 15.9994 0 + 9342 WT0 6602 TIP3 H1 HT 0.417000 1.0080 0 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0.417000 1.0080 0 + 9365 WT0 6639 TIP3 OH2 OT -0.834000 15.9994 0 + 9366 WT0 6639 TIP3 H1 HT 0.417000 1.0080 0 + 9367 WT0 6639 TIP3 H2 HT 0.417000 1.0080 0 + 9368 WT0 6644 TIP3 OH2 OT -0.834000 15.9994 0 + 9369 WT0 6644 TIP3 H1 HT 0.417000 1.0080 0 + 9370 WT0 6644 TIP3 H2 HT 0.417000 1.0080 0 + 9371 WT0 6645 TIP3 OH2 OT -0.834000 15.9994 0 + 9372 WT0 6645 TIP3 H1 HT 0.417000 1.0080 0 + 9373 WT0 6645 TIP3 H2 HT 0.417000 1.0080 0 + 9374 WT0 6647 TIP3 OH2 OT -0.834000 15.9994 0 + 9375 WT0 6647 TIP3 H1 HT 0.417000 1.0080 0 + 9376 WT0 6647 TIP3 H2 HT 0.417000 1.0080 0 + 9377 WT0 6650 TIP3 OH2 OT -0.834000 15.9994 0 + 9378 WT0 6650 TIP3 H1 HT 0.417000 1.0080 0 + 9379 WT0 6650 TIP3 H2 HT 0.417000 1.0080 0 + 9380 WT0 6652 TIP3 OH2 OT -0.834000 15.9994 0 + 9381 WT0 6652 TIP3 H1 HT 0.417000 1.0080 0 + 9382 WT0 6652 TIP3 H2 HT 0.417000 1.0080 0 + 9383 WT0 6657 TIP3 OH2 OT -0.834000 15.9994 0 + 9384 WT0 6657 TIP3 H1 HT 0.417000 1.0080 0 + 9385 WT0 6657 TIP3 H2 HT 0.417000 1.0080 0 + 9386 WT0 6660 TIP3 OH2 OT -0.834000 15.9994 0 + 9387 WT0 6660 TIP3 H1 HT 0.417000 1.0080 0 + 9388 WT0 6660 TIP3 H2 HT 0.417000 1.0080 0 + 9389 WT0 6661 TIP3 OH2 OT -0.834000 15.9994 0 + 9390 WT0 6661 TIP3 H1 HT 0.417000 1.0080 0 + 9391 WT0 6661 TIP3 H2 HT 0.417000 1.0080 0 + 9392 WT0 6663 TIP3 OH2 OT -0.834000 15.9994 0 + 9393 WT0 6663 TIP3 H1 HT 0.417000 1.0080 0 + 9394 WT0 6663 TIP3 H2 HT 0.417000 1.0080 0 + 9395 WT0 6665 TIP3 OH2 OT -0.834000 15.9994 0 + 9396 WT0 6665 TIP3 H1 HT 0.417000 1.0080 0 + 9397 WT0 6665 TIP3 H2 HT 0.417000 1.0080 0 + 9398 WT0 6666 TIP3 OH2 OT -0.834000 15.9994 0 + 9399 WT0 6666 TIP3 H1 HT 0.417000 1.0080 0 + 9400 WT0 6666 TIP3 H2 HT 0.417000 1.0080 0 + 9401 WT0 6667 TIP3 OH2 OT -0.834000 15.9994 0 + 9402 WT0 6667 TIP3 H1 HT 0.417000 1.0080 0 + 9403 WT0 6667 TIP3 H2 HT 0.417000 1.0080 0 + 9404 WT0 6669 TIP3 OH2 OT -0.834000 15.9994 0 + 9405 WT0 6669 TIP3 H1 HT 0.417000 1.0080 0 + 9406 WT0 6669 TIP3 H2 HT 0.417000 1.0080 0 + 9407 WT0 6671 TIP3 OH2 OT -0.834000 15.9994 0 + 9408 WT0 6671 TIP3 H1 HT 0.417000 1.0080 0 + 9409 WT0 6671 TIP3 H2 HT 0.417000 1.0080 0 + 9410 WT0 6672 TIP3 OH2 OT -0.834000 15.9994 0 + 9411 WT0 6672 TIP3 H1 HT 0.417000 1.0080 0 + 9412 WT0 6672 TIP3 H2 HT 0.417000 1.0080 0 + 9413 WT0 6673 TIP3 OH2 OT -0.834000 15.9994 0 + 9414 WT0 6673 TIP3 H1 HT 0.417000 1.0080 0 + 9415 WT0 6673 TIP3 H2 HT 0.417000 1.0080 0 + 9416 WT0 6679 TIP3 OH2 OT -0.834000 15.9994 0 + 9417 WT0 6679 TIP3 H1 HT 0.417000 1.0080 0 + 9418 WT0 6679 TIP3 H2 HT 0.417000 1.0080 0 + 9419 WT0 6681 TIP3 OH2 OT -0.834000 15.9994 0 + 9420 WT0 6681 TIP3 H1 HT 0.417000 1.0080 0 + 9421 WT0 6681 TIP3 H2 HT 0.417000 1.0080 0 + 9422 WT0 6683 TIP3 OH2 OT -0.834000 15.9994 0 + 9423 WT0 6683 TIP3 H1 HT 0.417000 1.0080 0 + 9424 WT0 6683 TIP3 H2 HT 0.417000 1.0080 0 + 9425 WT0 6684 TIP3 OH2 OT -0.834000 15.9994 0 + 9426 WT0 6684 TIP3 H1 HT 0.417000 1.0080 0 + 9427 WT0 6684 TIP3 H2 HT 0.417000 1.0080 0 + 9428 WT0 6693 TIP3 OH2 OT -0.834000 15.9994 0 + 9429 WT0 6693 TIP3 H1 HT 0.417000 1.0080 0 + 9430 WT0 6693 TIP3 H2 HT 0.417000 1.0080 0 + 9431 WT0 6698 TIP3 OH2 OT -0.834000 15.9994 0 + 9432 WT0 6698 TIP3 H1 HT 0.417000 1.0080 0 + 9433 WT0 6698 TIP3 H2 HT 0.417000 1.0080 0 + 9434 WT0 6700 TIP3 OH2 OT -0.834000 15.9994 0 + 9435 WT0 6700 TIP3 H1 HT 0.417000 1.0080 0 + 9436 WT0 6700 TIP3 H2 HT 0.417000 1.0080 0 + 9437 WT0 6707 TIP3 OH2 OT -0.834000 15.9994 0 + 9438 WT0 6707 TIP3 H1 HT 0.417000 1.0080 0 + 9439 WT0 6707 TIP3 H2 HT 0.417000 1.0080 0 + 9440 WT0 6708 TIP3 OH2 OT -0.834000 15.9994 0 + 9441 WT0 6708 TIP3 H1 HT 0.417000 1.0080 0 + 9442 WT0 6708 TIP3 H2 HT 0.417000 1.0080 0 + 9443 WT0 6714 TIP3 OH2 OT -0.834000 15.9994 0 + 9444 WT0 6714 TIP3 H1 HT 0.417000 1.0080 0 + 9445 WT0 6714 TIP3 H2 HT 0.417000 1.0080 0 + 9446 WT0 6717 TIP3 OH2 OT -0.834000 15.9994 0 + 9447 WT0 6717 TIP3 H1 HT 0.417000 1.0080 0 + 9448 WT0 6717 TIP3 H2 HT 0.417000 1.0080 0 + 9449 WT0 6721 TIP3 OH2 OT -0.834000 15.9994 0 + 9450 WT0 6721 TIP3 H1 HT 0.417000 1.0080 0 + 9451 WT0 6721 TIP3 H2 HT 0.417000 1.0080 0 + 9452 WT0 6722 TIP3 OH2 OT -0.834000 15.9994 0 + 9453 WT0 6722 TIP3 H1 HT 0.417000 1.0080 0 + 9454 WT0 6722 TIP3 H2 HT 0.417000 1.0080 0 + 9455 WT0 6725 TIP3 OH2 OT -0.834000 15.9994 0 + 9456 WT0 6725 TIP3 H1 HT 0.417000 1.0080 0 + 9457 WT0 6725 TIP3 H2 HT 0.417000 1.0080 0 + 9458 WT0 6727 TIP3 OH2 OT -0.834000 15.9994 0 + 9459 WT0 6727 TIP3 H1 HT 0.417000 1.0080 0 + 9460 WT0 6727 TIP3 H2 HT 0.417000 1.0080 0 + 9461 WT0 6728 TIP3 OH2 OT -0.834000 15.9994 0 + 9462 WT0 6728 TIP3 H1 HT 0.417000 1.0080 0 + 9463 WT0 6728 TIP3 H2 HT 0.417000 1.0080 0 + 9464 WT0 6729 TIP3 OH2 OT -0.834000 15.9994 0 + 9465 WT0 6729 TIP3 H1 HT 0.417000 1.0080 0 + 9466 WT0 6729 TIP3 H2 HT 0.417000 1.0080 0 + 9467 WT0 6730 TIP3 OH2 OT -0.834000 15.9994 0 + 9468 WT0 6730 TIP3 H1 HT 0.417000 1.0080 0 + 9469 WT0 6730 TIP3 H2 HT 0.417000 1.0080 0 + 9470 WT0 6735 TIP3 OH2 OT -0.834000 15.9994 0 + 9471 WT0 6735 TIP3 H1 HT 0.417000 1.0080 0 + 9472 WT0 6735 TIP3 H2 HT 0.417000 1.0080 0 + 9473 WT0 6736 TIP3 OH2 OT -0.834000 15.9994 0 + 9474 WT0 6736 TIP3 H1 HT 0.417000 1.0080 0 + 9475 WT0 6736 TIP3 H2 HT 0.417000 1.0080 0 + 9476 WT0 6740 TIP3 OH2 OT -0.834000 15.9994 0 + 9477 WT0 6740 TIP3 H1 HT 0.417000 1.0080 0 + 9478 WT0 6740 TIP3 H2 HT 0.417000 1.0080 0 + 9479 WT0 6742 TIP3 OH2 OT -0.834000 15.9994 0 + 9480 WT0 6742 TIP3 H1 HT 0.417000 1.0080 0 + 9481 WT0 6742 TIP3 H2 HT 0.417000 1.0080 0 + 9482 WT0 6743 TIP3 OH2 OT -0.834000 15.9994 0 + 9483 WT0 6743 TIP3 H1 HT 0.417000 1.0080 0 + 9484 WT0 6743 TIP3 H2 HT 0.417000 1.0080 0 + 9485 WT0 6748 TIP3 OH2 OT -0.834000 15.9994 0 + 9486 WT0 6748 TIP3 H1 HT 0.417000 1.0080 0 + 9487 WT0 6748 TIP3 H2 HT 0.417000 1.0080 0 + 9488 WT0 6750 TIP3 OH2 OT -0.834000 15.9994 0 + 9489 WT0 6750 TIP3 H1 HT 0.417000 1.0080 0 + 9490 WT0 6750 TIP3 H2 HT 0.417000 1.0080 0 + 9491 WT0 6751 TIP3 OH2 OT -0.834000 15.9994 0 + 9492 WT0 6751 TIP3 H1 HT 0.417000 1.0080 0 + 9493 WT0 6751 TIP3 H2 HT 0.417000 1.0080 0 + 9494 WT0 6752 TIP3 OH2 OT -0.834000 15.9994 0 + 9495 WT0 6752 TIP3 H1 HT 0.417000 1.0080 0 + 9496 WT0 6752 TIP3 H2 HT 0.417000 1.0080 0 + 9497 WT0 6754 TIP3 OH2 OT -0.834000 15.9994 0 + 9498 WT0 6754 TIP3 H1 HT 0.417000 1.0080 0 + 9499 WT0 6754 TIP3 H2 HT 0.417000 1.0080 0 + 9500 WT0 6755 TIP3 OH2 OT -0.834000 15.9994 0 + 9501 WT0 6755 TIP3 H1 HT 0.417000 1.0080 0 + 9502 WT0 6755 TIP3 H2 HT 0.417000 1.0080 0 + 9503 WT0 6758 TIP3 OH2 OT -0.834000 15.9994 0 + 9504 WT0 6758 TIP3 H1 HT 0.417000 1.0080 0 + 9505 WT0 6758 TIP3 H2 HT 0.417000 1.0080 0 + 9506 WT0 6762 TIP3 OH2 OT -0.834000 15.9994 0 + 9507 WT0 6762 TIP3 H1 HT 0.417000 1.0080 0 + 9508 WT0 6762 TIP3 H2 HT 0.417000 1.0080 0 + 9509 WT0 6763 TIP3 OH2 OT -0.834000 15.9994 0 + 9510 WT0 6763 TIP3 H1 HT 0.417000 1.0080 0 + 9511 WT0 6763 TIP3 H2 HT 0.417000 1.0080 0 + 9512 WT0 6768 TIP3 OH2 OT -0.834000 15.9994 0 + 9513 WT0 6768 TIP3 H1 HT 0.417000 1.0080 0 + 9514 WT0 6768 TIP3 H2 HT 0.417000 1.0080 0 + 9515 WT0 6769 TIP3 OH2 OT -0.834000 15.9994 0 + 9516 WT0 6769 TIP3 H1 HT 0.417000 1.0080 0 + 9517 WT0 6769 TIP3 H2 HT 0.417000 1.0080 0 + 9518 WT0 6771 TIP3 OH2 OT -0.834000 15.9994 0 + 9519 WT0 6771 TIP3 H1 HT 0.417000 1.0080 0 + 9520 WT0 6771 TIP3 H2 HT 0.417000 1.0080 0 + 9521 WT0 6773 TIP3 OH2 OT -0.834000 15.9994 0 + 9522 WT0 6773 TIP3 H1 HT 0.417000 1.0080 0 + 9523 WT0 6773 TIP3 H2 HT 0.417000 1.0080 0 + 9524 WT0 6776 TIP3 OH2 OT -0.834000 15.9994 0 + 9525 WT0 6776 TIP3 H1 HT 0.417000 1.0080 0 + 9526 WT0 6776 TIP3 H2 HT 0.417000 1.0080 0 + 9527 WT0 6777 TIP3 OH2 OT -0.834000 15.9994 0 + 9528 WT0 6777 TIP3 H1 HT 0.417000 1.0080 0 + 9529 WT0 6777 TIP3 H2 HT 0.417000 1.0080 0 + 9530 WT0 6788 TIP3 OH2 OT -0.834000 15.9994 0 + 9531 WT0 6788 TIP3 H1 HT 0.417000 1.0080 0 + 9532 WT0 6788 TIP3 H2 HT 0.417000 1.0080 0 + 9533 WT0 6789 TIP3 OH2 OT -0.834000 15.9994 0 + 9534 WT0 6789 TIP3 H1 HT 0.417000 1.0080 0 + 9535 WT0 6789 TIP3 H2 HT 0.417000 1.0080 0 + 9536 WT0 6790 TIP3 OH2 OT -0.834000 15.9994 0 + 9537 WT0 6790 TIP3 H1 HT 0.417000 1.0080 0 + 9538 WT0 6790 TIP3 H2 HT 0.417000 1.0080 0 + 9539 WT0 6791 TIP3 OH2 OT -0.834000 15.9994 0 + 9540 WT0 6791 TIP3 H1 HT 0.417000 1.0080 0 + 9541 WT0 6791 TIP3 H2 HT 0.417000 1.0080 0 + 9542 WT0 6793 TIP3 OH2 OT -0.834000 15.9994 0 + 9543 WT0 6793 TIP3 H1 HT 0.417000 1.0080 0 + 9544 WT0 6793 TIP3 H2 HT 0.417000 1.0080 0 + 9545 WT0 6794 TIP3 OH2 OT -0.834000 15.9994 0 + 9546 WT0 6794 TIP3 H1 HT 0.417000 1.0080 0 + 9547 WT0 6794 TIP3 H2 HT 0.417000 1.0080 0 + 9548 WT0 6795 TIP3 OH2 OT -0.834000 15.9994 0 + 9549 WT0 6795 TIP3 H1 HT 0.417000 1.0080 0 + 9550 WT0 6795 TIP3 H2 HT 0.417000 1.0080 0 + 9551 WT0 6797 TIP3 OH2 OT -0.834000 15.9994 0 + 9552 WT0 6797 TIP3 H1 HT 0.417000 1.0080 0 + 9553 WT0 6797 TIP3 H2 HT 0.417000 1.0080 0 + 9554 WT0 6802 TIP3 OH2 OT -0.834000 15.9994 0 + 9555 WT0 6802 TIP3 H1 HT 0.417000 1.0080 0 + 9556 WT0 6802 TIP3 H2 HT 0.417000 1.0080 0 + 9557 WT0 6803 TIP3 OH2 OT -0.834000 15.9994 0 + 9558 WT0 6803 TIP3 H1 HT 0.417000 1.0080 0 + 9559 WT0 6803 TIP3 H2 HT 0.417000 1.0080 0 + 9560 WT0 6807 TIP3 OH2 OT -0.834000 15.9994 0 + 9561 WT0 6807 TIP3 H1 HT 0.417000 1.0080 0 + 9562 WT0 6807 TIP3 H2 HT 0.417000 1.0080 0 + 9563 WT0 6808 TIP3 OH2 OT -0.834000 15.9994 0 + 9564 WT0 6808 TIP3 H1 HT 0.417000 1.0080 0 + 9565 WT0 6808 TIP3 H2 HT 0.417000 1.0080 0 + 9566 WT0 6814 TIP3 OH2 OT -0.834000 15.9994 0 + 9567 WT0 6814 TIP3 H1 HT 0.417000 1.0080 0 + 9568 WT0 6814 TIP3 H2 HT 0.417000 1.0080 0 + 9569 WT0 6816 TIP3 OH2 OT -0.834000 15.9994 0 + 9570 WT0 6816 TIP3 H1 HT 0.417000 1.0080 0 + 9571 WT0 6816 TIP3 H2 HT 0.417000 1.0080 0 + 9572 WT0 6817 TIP3 OH2 OT -0.834000 15.9994 0 + 9573 WT0 6817 TIP3 H1 HT 0.417000 1.0080 0 + 9574 WT0 6817 TIP3 H2 HT 0.417000 1.0080 0 + 9575 WT0 6819 TIP3 OH2 OT -0.834000 15.9994 0 + 9576 WT0 6819 TIP3 H1 HT 0.417000 1.0080 0 + 9577 WT0 6819 TIP3 H2 HT 0.417000 1.0080 0 + 9578 WT0 6820 TIP3 OH2 OT -0.834000 15.9994 0 + 9579 WT0 6820 TIP3 H1 HT 0.417000 1.0080 0 + 9580 WT0 6820 TIP3 H2 HT 0.417000 1.0080 0 + 9581 WT0 6823 TIP3 OH2 OT -0.834000 15.9994 0 + 9582 WT0 6823 TIP3 H1 HT 0.417000 1.0080 0 + 9583 WT0 6823 TIP3 H2 HT 0.417000 1.0080 0 + 9584 WT0 6825 TIP3 OH2 OT -0.834000 15.9994 0 + 9585 WT0 6825 TIP3 H1 HT 0.417000 1.0080 0 + 9586 WT0 6825 TIP3 H2 HT 0.417000 1.0080 0 + 9587 WT0 6828 TIP3 OH2 OT -0.834000 15.9994 0 + 9588 WT0 6828 TIP3 H1 HT 0.417000 1.0080 0 + 9589 WT0 6828 TIP3 H2 HT 0.417000 1.0080 0 + 9590 WT0 6829 TIP3 OH2 OT -0.834000 15.9994 0 + 9591 WT0 6829 TIP3 H1 HT 0.417000 1.0080 0 + 9592 WT0 6829 TIP3 H2 HT 0.417000 1.0080 0 + 9593 WT0 6830 TIP3 OH2 OT -0.834000 15.9994 0 + 9594 WT0 6830 TIP3 H1 HT 0.417000 1.0080 0 + 9595 WT0 6830 TIP3 H2 HT 0.417000 1.0080 0 + 9596 WT0 6831 TIP3 OH2 OT -0.834000 15.9994 0 + 9597 WT0 6831 TIP3 H1 HT 0.417000 1.0080 0 + 9598 WT0 6831 TIP3 H2 HT 0.417000 1.0080 0 + 9599 WT0 6832 TIP3 OH2 OT -0.834000 15.9994 0 + 9600 WT0 6832 TIP3 H1 HT 0.417000 1.0080 0 + 9601 WT0 6832 TIP3 H2 HT 0.417000 1.0080 0 + 9602 WT0 6833 TIP3 OH2 OT -0.834000 15.9994 0 + 9603 WT0 6833 TIP3 H1 HT 0.417000 1.0080 0 + 9604 WT0 6833 TIP3 H2 HT 0.417000 1.0080 0 + 9605 WT0 6834 TIP3 OH2 OT -0.834000 15.9994 0 + 9606 WT0 6834 TIP3 H1 HT 0.417000 1.0080 0 + 9607 WT0 6834 TIP3 H2 HT 0.417000 1.0080 0 + 9608 WT0 6835 TIP3 OH2 OT -0.834000 15.9994 0 + 9609 WT0 6835 TIP3 H1 HT 0.417000 1.0080 0 + 9610 WT0 6835 TIP3 H2 HT 0.417000 1.0080 0 + 9611 WT0 6837 TIP3 OH2 OT -0.834000 15.9994 0 + 9612 WT0 6837 TIP3 H1 HT 0.417000 1.0080 0 + 9613 WT0 6837 TIP3 H2 HT 0.417000 1.0080 0 + 9614 WT0 6838 TIP3 OH2 OT -0.834000 15.9994 0 + 9615 WT0 6838 TIP3 H1 HT 0.417000 1.0080 0 + 9616 WT0 6838 TIP3 H2 HT 0.417000 1.0080 0 + 9617 WT0 6846 TIP3 OH2 OT -0.834000 15.9994 0 + 9618 WT0 6846 TIP3 H1 HT 0.417000 1.0080 0 + 9619 WT0 6846 TIP3 H2 HT 0.417000 1.0080 0 + 9620 WT0 6848 TIP3 OH2 OT -0.834000 15.9994 0 + 9621 WT0 6848 TIP3 H1 HT 0.417000 1.0080 0 + 9622 WT0 6848 TIP3 H2 HT 0.417000 1.0080 0 + 9623 WT0 6851 TIP3 OH2 OT -0.834000 15.9994 0 + 9624 WT0 6851 TIP3 H1 HT 0.417000 1.0080 0 + 9625 WT0 6851 TIP3 H2 HT 0.417000 1.0080 0 + 9626 WT0 6852 TIP3 OH2 OT -0.834000 15.9994 0 + 9627 WT0 6852 TIP3 H1 HT 0.417000 1.0080 0 + 9628 WT0 6852 TIP3 H2 HT 0.417000 1.0080 0 + 9629 WT0 6854 TIP3 OH2 OT -0.834000 15.9994 0 + 9630 WT0 6854 TIP3 H1 HT 0.417000 1.0080 0 + 9631 WT0 6854 TIP3 H2 HT 0.417000 1.0080 0 + 9632 WT0 6855 TIP3 OH2 OT -0.834000 15.9994 0 + 9633 WT0 6855 TIP3 H1 HT 0.417000 1.0080 0 + 9634 WT0 6855 TIP3 H2 HT 0.417000 1.0080 0 + 9635 WT0 6857 TIP3 OH2 OT -0.834000 15.9994 0 + 9636 WT0 6857 TIP3 H1 HT 0.417000 1.0080 0 + 9637 WT0 6857 TIP3 H2 HT 0.417000 1.0080 0 + 9638 WT0 6859 TIP3 OH2 OT -0.834000 15.9994 0 + 9639 WT0 6859 TIP3 H1 HT 0.417000 1.0080 0 + 9640 WT0 6859 TIP3 H2 HT 0.417000 1.0080 0 + 9641 WT0 6863 TIP3 OH2 OT -0.834000 15.9994 0 + 9642 WT0 6863 TIP3 H1 HT 0.417000 1.0080 0 + 9643 WT0 6863 TIP3 H2 HT 0.417000 1.0080 0 + 9644 WT0 6867 TIP3 OH2 OT -0.834000 15.9994 0 + 9645 WT0 6867 TIP3 H1 HT 0.417000 1.0080 0 + 9646 WT0 6867 TIP3 H2 HT 0.417000 1.0080 0 + 9647 WT0 6870 TIP3 OH2 OT -0.834000 15.9994 0 + 9648 WT0 6870 TIP3 H1 HT 0.417000 1.0080 0 + 9649 WT0 6870 TIP3 H2 HT 0.417000 1.0080 0 + 9650 WT0 6872 TIP3 OH2 OT -0.834000 15.9994 0 + 9651 WT0 6872 TIP3 H1 HT 0.417000 1.0080 0 + 9652 WT0 6872 TIP3 H2 HT 0.417000 1.0080 0 + 9653 WT0 6873 TIP3 OH2 OT -0.834000 15.9994 0 + 9654 WT0 6873 TIP3 H1 HT 0.417000 1.0080 0 + 9655 WT0 6873 TIP3 H2 HT 0.417000 1.0080 0 + 9656 WT0 6874 TIP3 OH2 OT -0.834000 15.9994 0 + 9657 WT0 6874 TIP3 H1 HT 0.417000 1.0080 0 + 9658 WT0 6874 TIP3 H2 HT 0.417000 1.0080 0 + 9659 WT0 6875 TIP3 OH2 OT -0.834000 15.9994 0 + 9660 WT0 6875 TIP3 H1 HT 0.417000 1.0080 0 + 9661 WT0 6875 TIP3 H2 HT 0.417000 1.0080 0 + 9662 WT0 6876 TIP3 OH2 OT -0.834000 15.9994 0 + 9663 WT0 6876 TIP3 H1 HT 0.417000 1.0080 0 + 9664 WT0 6876 TIP3 H2 HT 0.417000 1.0080 0 + 9665 WT0 6878 TIP3 OH2 OT -0.834000 15.9994 0 + 9666 WT0 6878 TIP3 H1 HT 0.417000 1.0080 0 + 9667 WT0 6878 TIP3 H2 HT 0.417000 1.0080 0 + 9668 WT0 6879 TIP3 OH2 OT -0.834000 15.9994 0 + 9669 WT0 6879 TIP3 H1 HT 0.417000 1.0080 0 + 9670 WT0 6879 TIP3 H2 HT 0.417000 1.0080 0 + 9671 WT0 6881 TIP3 OH2 OT -0.834000 15.9994 0 + 9672 WT0 6881 TIP3 H1 HT 0.417000 1.0080 0 + 9673 WT0 6881 TIP3 H2 HT 0.417000 1.0080 0 + 9674 WT0 6882 TIP3 OH2 OT -0.834000 15.9994 0 + 9675 WT0 6882 TIP3 H1 HT 0.417000 1.0080 0 + 9676 WT0 6882 TIP3 H2 HT 0.417000 1.0080 0 + 9677 WT0 6883 TIP3 OH2 OT -0.834000 15.9994 0 + 9678 WT0 6883 TIP3 H1 HT 0.417000 1.0080 0 + 9679 WT0 6883 TIP3 H2 HT 0.417000 1.0080 0 + 9680 WT0 6887 TIP3 OH2 OT -0.834000 15.9994 0 + 9681 WT0 6887 TIP3 H1 HT 0.417000 1.0080 0 + 9682 WT0 6887 TIP3 H2 HT 0.417000 1.0080 0 + 9683 WT0 6889 TIP3 OH2 OT -0.834000 15.9994 0 + 9684 WT0 6889 TIP3 H1 HT 0.417000 1.0080 0 + 9685 WT0 6889 TIP3 H2 HT 0.417000 1.0080 0 + 9686 WT0 6897 TIP3 OH2 OT -0.834000 15.9994 0 + 9687 WT0 6897 TIP3 H1 HT 0.417000 1.0080 0 + 9688 WT0 6897 TIP3 H2 HT 0.417000 1.0080 0 + 9689 WT0 6901 TIP3 OH2 OT -0.834000 15.9994 0 + 9690 WT0 6901 TIP3 H1 HT 0.417000 1.0080 0 + 9691 WT0 6901 TIP3 H2 HT 0.417000 1.0080 0 + 9692 WT0 6902 TIP3 OH2 OT -0.834000 15.9994 0 + 9693 WT0 6902 TIP3 H1 HT 0.417000 1.0080 0 + 9694 WT0 6902 TIP3 H2 HT 0.417000 1.0080 0 + 9695 WT0 6904 TIP3 OH2 OT -0.834000 15.9994 0 + 9696 WT0 6904 TIP3 H1 HT 0.417000 1.0080 0 + 9697 WT0 6904 TIP3 H2 HT 0.417000 1.0080 0 + 9698 WT0 6905 TIP3 OH2 OT -0.834000 15.9994 0 + 9699 WT0 6905 TIP3 H1 HT 0.417000 1.0080 0 + 9700 WT0 6905 TIP3 H2 HT 0.417000 1.0080 0 + 9701 WT0 6917 TIP3 OH2 OT -0.834000 15.9994 0 + 9702 WT0 6917 TIP3 H1 HT 0.417000 1.0080 0 + 9703 WT0 6917 TIP3 H2 HT 0.417000 1.0080 0 + 9704 WT0 6918 TIP3 OH2 OT -0.834000 15.9994 0 + 9705 WT0 6918 TIP3 H1 HT 0.417000 1.0080 0 + 9706 WT0 6918 TIP3 H2 HT 0.417000 1.0080 0 + 9707 WT0 6920 TIP3 OH2 OT -0.834000 15.9994 0 + 9708 WT0 6920 TIP3 H1 HT 0.417000 1.0080 0 + 9709 WT0 6920 TIP3 H2 HT 0.417000 1.0080 0 + 9710 WT0 6921 TIP3 OH2 OT -0.834000 15.9994 0 + 9711 WT0 6921 TIP3 H1 HT 0.417000 1.0080 0 + 9712 WT0 6921 TIP3 H2 HT 0.417000 1.0080 0 + 9713 WT0 6926 TIP3 OH2 OT -0.834000 15.9994 0 + 9714 WT0 6926 TIP3 H1 HT 0.417000 1.0080 0 + 9715 WT0 6926 TIP3 H2 HT 0.417000 1.0080 0 + 9716 WT0 6928 TIP3 OH2 OT -0.834000 15.9994 0 + 9717 WT0 6928 TIP3 H1 HT 0.417000 1.0080 0 + 9718 WT0 6928 TIP3 H2 HT 0.417000 1.0080 0 + 9719 WT0 6934 TIP3 OH2 OT -0.834000 15.9994 0 + 9720 WT0 6934 TIP3 H1 HT 0.417000 1.0080 0 + 9721 WT0 6934 TIP3 H2 HT 0.417000 1.0080 0 + 9722 WT0 6935 TIP3 OH2 OT -0.834000 15.9994 0 + 9723 WT0 6935 TIP3 H1 HT 0.417000 1.0080 0 + 9724 WT0 6935 TIP3 H2 HT 0.417000 1.0080 0 + 9725 WT0 6952 TIP3 OH2 OT -0.834000 15.9994 0 + 9726 WT0 6952 TIP3 H1 HT 0.417000 1.0080 0 + 9727 WT0 6952 TIP3 H2 HT 0.417000 1.0080 0 + 9728 WT0 6953 TIP3 OH2 OT -0.834000 15.9994 0 + 9729 WT0 6953 TIP3 H1 HT 0.417000 1.0080 0 + 9730 WT0 6953 TIP3 H2 HT 0.417000 1.0080 0 + 9731 WT0 6954 TIP3 OH2 OT -0.834000 15.9994 0 + 9732 WT0 6954 TIP3 H1 HT 0.417000 1.0080 0 + 9733 WT0 6954 TIP3 H2 HT 0.417000 1.0080 0 + 9734 WT0 6955 TIP3 OH2 OT -0.834000 15.9994 0 + 9735 WT0 6955 TIP3 H1 HT 0.417000 1.0080 0 + 9736 WT0 6955 TIP3 H2 HT 0.417000 1.0080 0 + 9737 WT0 6962 TIP3 OH2 OT -0.834000 15.9994 0 + 9738 WT0 6962 TIP3 H1 HT 0.417000 1.0080 0 + 9739 WT0 6962 TIP3 H2 HT 0.417000 1.0080 0 + 9740 WT0 6968 TIP3 OH2 OT -0.834000 15.9994 0 + 9741 WT0 6968 TIP3 H1 HT 0.417000 1.0080 0 + 9742 WT0 6968 TIP3 H2 HT 0.417000 1.0080 0 + 9743 WT0 6969 TIP3 OH2 OT -0.834000 15.9994 0 + 9744 WT0 6969 TIP3 H1 HT 0.417000 1.0080 0 + 9745 WT0 6969 TIP3 H2 HT 0.417000 1.0080 0 + 9746 WT0 6975 TIP3 OH2 OT -0.834000 15.9994 0 + 9747 WT0 6975 TIP3 H1 HT 0.417000 1.0080 0 + 9748 WT0 6975 TIP3 H2 HT 0.417000 1.0080 0 + 9749 WT0 6979 TIP3 OH2 OT -0.834000 15.9994 0 + 9750 WT0 6979 TIP3 H1 HT 0.417000 1.0080 0 + 9751 WT0 6979 TIP3 H2 HT 0.417000 1.0080 0 + 9752 WT0 6982 TIP3 OH2 OT -0.834000 15.9994 0 + 9753 WT0 6982 TIP3 H1 HT 0.417000 1.0080 0 + 9754 WT0 6982 TIP3 H2 HT 0.417000 1.0080 0 + 9755 WT0 6986 TIP3 OH2 OT -0.834000 15.9994 0 + 9756 WT0 6986 TIP3 H1 HT 0.417000 1.0080 0 + 9757 WT0 6986 TIP3 H2 HT 0.417000 1.0080 0 + 9758 WT0 6999 TIP3 OH2 OT -0.834000 15.9994 0 + 9759 WT0 6999 TIP3 H1 HT 0.417000 1.0080 0 + 9760 WT0 6999 TIP3 H2 HT 0.417000 1.0080 0 + 9761 WT0 7001 TIP3 OH2 OT -0.834000 15.9994 0 + 9762 WT0 7001 TIP3 H1 HT 0.417000 1.0080 0 + 9763 WT0 7001 TIP3 H2 HT 0.417000 1.0080 0 + 9764 WT0 7003 TIP3 OH2 OT -0.834000 15.9994 0 + 9765 WT0 7003 TIP3 H1 HT 0.417000 1.0080 0 + 9766 WT0 7003 TIP3 H2 HT 0.417000 1.0080 0 + 9767 WT0 7017 TIP3 OH2 OT -0.834000 15.9994 0 + 9768 WT0 7017 TIP3 H1 HT 0.417000 1.0080 0 + 9769 WT0 7017 TIP3 H2 HT 0.417000 1.0080 0 + 9770 WT0 7019 TIP3 OH2 OT -0.834000 15.9994 0 + 9771 WT0 7019 TIP3 H1 HT 0.417000 1.0080 0 + 9772 WT0 7019 TIP3 H2 HT 0.417000 1.0080 0 + 9773 WT0 7021 TIP3 OH2 OT -0.834000 15.9994 0 + 9774 WT0 7021 TIP3 H1 HT 0.417000 1.0080 0 + 9775 WT0 7021 TIP3 H2 HT 0.417000 1.0080 0 + 9776 WT0 7023 TIP3 OH2 OT -0.834000 15.9994 0 + 9777 WT0 7023 TIP3 H1 HT 0.417000 1.0080 0 + 9778 WT0 7023 TIP3 H2 HT 0.417000 1.0080 0 + 9779 WT0 7027 TIP3 OH2 OT -0.834000 15.9994 0 + 9780 WT0 7027 TIP3 H1 HT 0.417000 1.0080 0 + 9781 WT0 7027 TIP3 H2 HT 0.417000 1.0080 0 + 9782 WT0 7029 TIP3 OH2 OT -0.834000 15.9994 0 + 9783 WT0 7029 TIP3 H1 HT 0.417000 1.0080 0 + 9784 WT0 7029 TIP3 H2 HT 0.417000 1.0080 0 + 9785 WT0 7045 TIP3 OH2 OT -0.834000 15.9994 0 + 9786 WT0 7045 TIP3 H1 HT 0.417000 1.0080 0 + 9787 WT0 7045 TIP3 H2 HT 0.417000 1.0080 0 + 9788 WT0 7046 TIP3 OH2 OT -0.834000 15.9994 0 + 9789 WT0 7046 TIP3 H1 HT 0.417000 1.0080 0 + 9790 WT0 7046 TIP3 H2 HT 0.417000 1.0080 0 + 9791 WT0 7050 TIP3 OH2 OT -0.834000 15.9994 0 + 9792 WT0 7050 TIP3 H1 HT 0.417000 1.0080 0 + 9793 WT0 7050 TIP3 H2 HT 0.417000 1.0080 0 + 9794 WT0 7052 TIP3 OH2 OT -0.834000 15.9994 0 + 9795 WT0 7052 TIP3 H1 HT 0.417000 1.0080 0 + 9796 WT0 7052 TIP3 H2 HT 0.417000 1.0080 0 + 9797 WT0 7066 TIP3 OH2 OT -0.834000 15.9994 0 + 9798 WT0 7066 TIP3 H1 HT 0.417000 1.0080 0 + 9799 WT0 7066 TIP3 H2 HT 0.417000 1.0080 0 + 9800 WT0 7068 TIP3 OH2 OT -0.834000 15.9994 0 + 9801 WT0 7068 TIP3 H1 HT 0.417000 1.0080 0 + 9802 WT0 7068 TIP3 H2 HT 0.417000 1.0080 0 + 9803 WT0 7073 TIP3 OH2 OT -0.834000 15.9994 0 + 9804 WT0 7073 TIP3 H1 HT 0.417000 1.0080 0 + 9805 WT0 7073 TIP3 H2 HT 0.417000 1.0080 0 + 9806 WT0 7078 TIP3 OH2 OT -0.834000 15.9994 0 + 9807 WT0 7078 TIP3 H1 HT 0.417000 1.0080 0 + 9808 WT0 7078 TIP3 H2 HT 0.417000 1.0080 0 + 9809 WT0 7083 TIP3 OH2 OT -0.834000 15.9994 0 + 9810 WT0 7083 TIP3 H1 HT 0.417000 1.0080 0 + 9811 WT0 7083 TIP3 H2 HT 0.417000 1.0080 0 + 9812 WT0 7085 TIP3 OH2 OT -0.834000 15.9994 0 + 9813 WT0 7085 TIP3 H1 HT 0.417000 1.0080 0 + 9814 WT0 7085 TIP3 H2 HT 0.417000 1.0080 0 + 9815 WT0 7088 TIP3 OH2 OT -0.834000 15.9994 0 + 9816 WT0 7088 TIP3 H1 HT 0.417000 1.0080 0 + 9817 WT0 7088 TIP3 H2 HT 0.417000 1.0080 0 + 9818 WT0 7099 TIP3 OH2 OT -0.834000 15.9994 0 + 9819 WT0 7099 TIP3 H1 HT 0.417000 1.0080 0 + 9820 WT0 7099 TIP3 H2 HT 0.417000 1.0080 0 + 9821 WT0 7105 TIP3 OH2 OT -0.834000 15.9994 0 + 9822 WT0 7105 TIP3 H1 HT 0.417000 1.0080 0 + 9823 WT0 7105 TIP3 H2 HT 0.417000 1.0080 0 + 9824 WT0 7109 TIP3 OH2 OT -0.834000 15.9994 0 + 9825 WT0 7109 TIP3 H1 HT 0.417000 1.0080 0 + 9826 WT0 7109 TIP3 H2 HT 0.417000 1.0080 0 + 9827 WT0 7110 TIP3 OH2 OT -0.834000 15.9994 0 + 9828 WT0 7110 TIP3 H1 HT 0.417000 1.0080 0 + 9829 WT0 7110 TIP3 H2 HT 0.417000 1.0080 0 + 9830 WT0 7117 TIP3 OH2 OT -0.834000 15.9994 0 + 9831 WT0 7117 TIP3 H1 HT 0.417000 1.0080 0 + 9832 WT0 7117 TIP3 H2 HT 0.417000 1.0080 0 + 9833 WT0 7118 TIP3 OH2 OT -0.834000 15.9994 0 + 9834 WT0 7118 TIP3 H1 HT 0.417000 1.0080 0 + 9835 WT0 7118 TIP3 H2 HT 0.417000 1.0080 0 + 9836 WT0 7121 TIP3 OH2 OT -0.834000 15.9994 0 + 9837 WT0 7121 TIP3 H1 HT 0.417000 1.0080 0 + 9838 WT0 7121 TIP3 H2 HT 0.417000 1.0080 0 + 9839 WT0 7122 TIP3 OH2 OT -0.834000 15.9994 0 + 9840 WT0 7122 TIP3 H1 HT 0.417000 1.0080 0 + 9841 WT0 7122 TIP3 H2 HT 0.417000 1.0080 0 + 9842 WT0 7125 TIP3 OH2 OT -0.834000 15.9994 0 + 9843 WT0 7125 TIP3 H1 HT 0.417000 1.0080 0 + 9844 WT0 7125 TIP3 H2 HT 0.417000 1.0080 0 + 9845 WT0 7126 TIP3 OH2 OT -0.834000 15.9994 0 + 9846 WT0 7126 TIP3 H1 HT 0.417000 1.0080 0 + 9847 WT0 7126 TIP3 H2 HT 0.417000 1.0080 0 + 9848 WT0 7127 TIP3 OH2 OT -0.834000 15.9994 0 + 9849 WT0 7127 TIP3 H1 HT 0.417000 1.0080 0 + 9850 WT0 7127 TIP3 H2 HT 0.417000 1.0080 0 + 9851 WT0 7130 TIP3 OH2 OT -0.834000 15.9994 0 + 9852 WT0 7130 TIP3 H1 HT 0.417000 1.0080 0 + 9853 WT0 7130 TIP3 H2 HT 0.417000 1.0080 0 + 9854 WT0 7132 TIP3 OH2 OT -0.834000 15.9994 0 + 9855 WT0 7132 TIP3 H1 HT 0.417000 1.0080 0 + 9856 WT0 7132 TIP3 H2 HT 0.417000 1.0080 0 + 9857 WT0 7133 TIP3 OH2 OT -0.834000 15.9994 0 + 9858 WT0 7133 TIP3 H1 HT 0.417000 1.0080 0 + 9859 WT0 7133 TIP3 H2 HT 0.417000 1.0080 0 + 9860 WT0 7134 TIP3 OH2 OT -0.834000 15.9994 0 + 9861 WT0 7134 TIP3 H1 HT 0.417000 1.0080 0 + 9862 WT0 7134 TIP3 H2 HT 0.417000 1.0080 0 + 9863 WT0 7141 TIP3 OH2 OT -0.834000 15.9994 0 + 9864 WT0 7141 TIP3 H1 HT 0.417000 1.0080 0 + 9865 WT0 7141 TIP3 H2 HT 0.417000 1.0080 0 + 9866 WT0 7144 TIP3 OH2 OT -0.834000 15.9994 0 + 9867 WT0 7144 TIP3 H1 HT 0.417000 1.0080 0 + 9868 WT0 7144 TIP3 H2 HT 0.417000 1.0080 0 + 9869 WT0 7145 TIP3 OH2 OT -0.834000 15.9994 0 + 9870 WT0 7145 TIP3 H1 HT 0.417000 1.0080 0 + 9871 WT0 7145 TIP3 H2 HT 0.417000 1.0080 0 + 9872 WT0 7147 TIP3 OH2 OT -0.834000 15.9994 0 + 9873 WT0 7147 TIP3 H1 HT 0.417000 1.0080 0 + 9874 WT0 7147 TIP3 H2 HT 0.417000 1.0080 0 + 9875 WT0 7149 TIP3 OH2 OT -0.834000 15.9994 0 + 9876 WT0 7149 TIP3 H1 HT 0.417000 1.0080 0 + 9877 WT0 7149 TIP3 H2 HT 0.417000 1.0080 0 + 9878 WT0 7151 TIP3 OH2 OT -0.834000 15.9994 0 + 9879 WT0 7151 TIP3 H1 HT 0.417000 1.0080 0 + 9880 WT0 7151 TIP3 H2 HT 0.417000 1.0080 0 + 9881 WT0 7154 TIP3 OH2 OT -0.834000 15.9994 0 + 9882 WT0 7154 TIP3 H1 HT 0.417000 1.0080 0 + 9883 WT0 7154 TIP3 H2 HT 0.417000 1.0080 0 + 9884 WT0 7166 TIP3 OH2 OT -0.834000 15.9994 0 + 9885 WT0 7166 TIP3 H1 HT 0.417000 1.0080 0 + 9886 WT0 7166 TIP3 H2 HT 0.417000 1.0080 0 + 9887 WT0 7168 TIP3 OH2 OT -0.834000 15.9994 0 + 9888 WT0 7168 TIP3 H1 HT 0.417000 1.0080 0 + 9889 WT0 7168 TIP3 H2 HT 0.417000 1.0080 0 + 9890 WT0 7170 TIP3 OH2 OT -0.834000 15.9994 0 + 9891 WT0 7170 TIP3 H1 HT 0.417000 1.0080 0 + 9892 WT0 7170 TIP3 H2 HT 0.417000 1.0080 0 + 9893 WT0 7171 TIP3 OH2 OT -0.834000 15.9994 0 + 9894 WT0 7171 TIP3 H1 HT 0.417000 1.0080 0 + 9895 WT0 7171 TIP3 H2 HT 0.417000 1.0080 0 + 9896 WT0 7173 TIP3 OH2 OT -0.834000 15.9994 0 + 9897 WT0 7173 TIP3 H1 HT 0.417000 1.0080 0 + 9898 WT0 7173 TIP3 H2 HT 0.417000 1.0080 0 + 9899 WT0 7174 TIP3 OH2 OT -0.834000 15.9994 0 + 9900 WT0 7174 TIP3 H1 HT 0.417000 1.0080 0 + 9901 WT0 7174 TIP3 H2 HT 0.417000 1.0080 0 + 9902 WT0 7176 TIP3 OH2 OT -0.834000 15.9994 0 + 9903 WT0 7176 TIP3 H1 HT 0.417000 1.0080 0 + 9904 WT0 7176 TIP3 H2 HT 0.417000 1.0080 0 + 9905 WT0 7182 TIP3 OH2 OT -0.834000 15.9994 0 + 9906 WT0 7182 TIP3 H1 HT 0.417000 1.0080 0 + 9907 WT0 7182 TIP3 H2 HT 0.417000 1.0080 0 + 9908 WT0 7185 TIP3 OH2 OT -0.834000 15.9994 0 + 9909 WT0 7185 TIP3 H1 HT 0.417000 1.0080 0 + 9910 WT0 7185 TIP3 H2 HT 0.417000 1.0080 0 + 9911 WT0 7193 TIP3 OH2 OT -0.834000 15.9994 0 + 9912 WT0 7193 TIP3 H1 HT 0.417000 1.0080 0 + 9913 WT0 7193 TIP3 H2 HT 0.417000 1.0080 0 + 9914 WT0 7196 TIP3 OH2 OT -0.834000 15.9994 0 + 9915 WT0 7196 TIP3 H1 HT 0.417000 1.0080 0 + 9916 WT0 7196 TIP3 H2 HT 0.417000 1.0080 0 + 9917 WT0 7197 TIP3 OH2 OT -0.834000 15.9994 0 + 9918 WT0 7197 TIP3 H1 HT 0.417000 1.0080 0 + 9919 WT0 7197 TIP3 H2 HT 0.417000 1.0080 0 + 9920 WT0 7198 TIP3 OH2 OT -0.834000 15.9994 0 + 9921 WT0 7198 TIP3 H1 HT 0.417000 1.0080 0 + 9922 WT0 7198 TIP3 H2 HT 0.417000 1.0080 0 + 9923 WT0 7200 TIP3 OH2 OT -0.834000 15.9994 0 + 9924 WT0 7200 TIP3 H1 HT 0.417000 1.0080 0 + 9925 WT0 7200 TIP3 H2 HT 0.417000 1.0080 0 + 9926 WT0 7202 TIP3 OH2 OT -0.834000 15.9994 0 + 9927 WT0 7202 TIP3 H1 HT 0.417000 1.0080 0 + 9928 WT0 7202 TIP3 H2 HT 0.417000 1.0080 0 + 9929 WT0 7203 TIP3 OH2 OT -0.834000 15.9994 0 + 9930 WT0 7203 TIP3 H1 HT 0.417000 1.0080 0 + 9931 WT0 7203 TIP3 H2 HT 0.417000 1.0080 0 + 9932 WT0 7209 TIP3 OH2 OT -0.834000 15.9994 0 + 9933 WT0 7209 TIP3 H1 HT 0.417000 1.0080 0 + 9934 WT0 7209 TIP3 H2 HT 0.417000 1.0080 0 + 9935 WT0 7210 TIP3 OH2 OT -0.834000 15.9994 0 + 9936 WT0 7210 TIP3 H1 HT 0.417000 1.0080 0 + 9937 WT0 7210 TIP3 H2 HT 0.417000 1.0080 0 + 9938 WT0 7211 TIP3 OH2 OT -0.834000 15.9994 0 + 9939 WT0 7211 TIP3 H1 HT 0.417000 1.0080 0 + 9940 WT0 7211 TIP3 H2 HT 0.417000 1.0080 0 + 9941 WT0 7212 TIP3 OH2 OT -0.834000 15.9994 0 + 9942 WT0 7212 TIP3 H1 HT 0.417000 1.0080 0 + 9943 WT0 7212 TIP3 H2 HT 0.417000 1.0080 0 + 9944 WT0 7215 TIP3 OH2 OT -0.834000 15.9994 0 + 9945 WT0 7215 TIP3 H1 HT 0.417000 1.0080 0 + 9946 WT0 7215 TIP3 H2 HT 0.417000 1.0080 0 + 9947 WT0 7216 TIP3 OH2 OT -0.834000 15.9994 0 + 9948 WT0 7216 TIP3 H1 HT 0.417000 1.0080 0 + 9949 WT0 7216 TIP3 H2 HT 0.417000 1.0080 0 + 9950 WT0 7219 TIP3 OH2 OT -0.834000 15.9994 0 + 9951 WT0 7219 TIP3 H1 HT 0.417000 1.0080 0 + 9952 WT0 7219 TIP3 H2 HT 0.417000 1.0080 0 + 9953 WT0 7222 TIP3 OH2 OT -0.834000 15.9994 0 + 9954 WT0 7222 TIP3 H1 HT 0.417000 1.0080 0 + 9955 WT0 7222 TIP3 H2 HT 0.417000 1.0080 0 + 9956 WT0 7228 TIP3 OH2 OT -0.834000 15.9994 0 + 9957 WT0 7228 TIP3 H1 HT 0.417000 1.0080 0 + 9958 WT0 7228 TIP3 H2 HT 0.417000 1.0080 0 + 9959 WT0 7229 TIP3 OH2 OT -0.834000 15.9994 0 + 9960 WT0 7229 TIP3 H1 HT 0.417000 1.0080 0 + 9961 WT0 7229 TIP3 H2 HT 0.417000 1.0080 0 + 9962 WT0 7231 TIP3 OH2 OT -0.834000 15.9994 0 + 9963 WT0 7231 TIP3 H1 HT 0.417000 1.0080 0 + 9964 WT0 7231 TIP3 H2 HT 0.417000 1.0080 0 + 9965 WT0 7238 TIP3 OH2 OT -0.834000 15.9994 0 + 9966 WT0 7238 TIP3 H1 HT 0.417000 1.0080 0 + 9967 WT0 7238 TIP3 H2 HT 0.417000 1.0080 0 + 9968 WT0 7242 TIP3 OH2 OT -0.834000 15.9994 0 + 9969 WT0 7242 TIP3 H1 HT 0.417000 1.0080 0 + 9970 WT0 7242 TIP3 H2 HT 0.417000 1.0080 0 + 9971 WT0 7246 TIP3 OH2 OT -0.834000 15.9994 0 + 9972 WT0 7246 TIP3 H1 HT 0.417000 1.0080 0 + 9973 WT0 7246 TIP3 H2 HT 0.417000 1.0080 0 + 9974 WT0 7248 TIP3 OH2 OT -0.834000 15.9994 0 + 9975 WT0 7248 TIP3 H1 HT 0.417000 1.0080 0 + 9976 WT0 7248 TIP3 H2 HT 0.417000 1.0080 0 + 9977 WT0 7251 TIP3 OH2 OT -0.834000 15.9994 0 + 9978 WT0 7251 TIP3 H1 HT 0.417000 1.0080 0 + 9979 WT0 7251 TIP3 H2 HT 0.417000 1.0080 0 + 9980 WT0 7252 TIP3 OH2 OT -0.834000 15.9994 0 + 9981 WT0 7252 TIP3 H1 HT 0.417000 1.0080 0 + 9982 WT0 7252 TIP3 H2 HT 0.417000 1.0080 0 + 9983 WT0 7253 TIP3 OH2 OT -0.834000 15.9994 0 + 9984 WT0 7253 TIP3 H1 HT 0.417000 1.0080 0 + 9985 WT0 7253 TIP3 H2 HT 0.417000 1.0080 0 + 9986 WT0 7255 TIP3 OH2 OT -0.834000 15.9994 0 + 9987 WT0 7255 TIP3 H1 HT 0.417000 1.0080 0 + 9988 WT0 7255 TIP3 H2 HT 0.417000 1.0080 0 + 9989 WT0 7257 TIP3 OH2 OT -0.834000 15.9994 0 + 9990 WT0 7257 TIP3 H1 HT 0.417000 1.0080 0 + 9991 WT0 7257 TIP3 H2 HT 0.417000 1.0080 0 + 9992 WT0 7259 TIP3 OH2 OT -0.834000 15.9994 0 + 9993 WT0 7259 TIP3 H1 HT 0.417000 1.0080 0 + 9994 WT0 7259 TIP3 H2 HT 0.417000 1.0080 0 + 9995 WT0 7260 TIP3 OH2 OT -0.834000 15.9994 0 + 9996 WT0 7260 TIP3 H1 HT 0.417000 1.0080 0 + 9997 WT0 7260 TIP3 H2 HT 0.417000 1.0080 0 + 9998 WT0 7262 TIP3 OH2 OT -0.834000 15.9994 0 + 9999 WT0 7262 TIP3 H1 HT 0.417000 1.0080 0 + 10000 WT0 7262 TIP3 H2 HT 0.417000 1.0080 0 + 10001 WT0 7267 TIP3 OH2 OT -0.834000 15.9994 0 + 10002 WT0 7267 TIP3 H1 HT 0.417000 1.0080 0 + 10003 WT0 7267 TIP3 H2 HT 0.417000 1.0080 0 + 10004 WT0 7272 TIP3 OH2 OT -0.834000 15.9994 0 + 10005 WT0 7272 TIP3 H1 HT 0.417000 1.0080 0 + 10006 WT0 7272 TIP3 H2 HT 0.417000 1.0080 0 + 10007 WT0 7273 TIP3 OH2 OT -0.834000 15.9994 0 + 10008 WT0 7273 TIP3 H1 HT 0.417000 1.0080 0 + 10009 WT0 7273 TIP3 H2 HT 0.417000 1.0080 0 + 10010 WT0 7274 TIP3 OH2 OT -0.834000 15.9994 0 + 10011 WT0 7274 TIP3 H1 HT 0.417000 1.0080 0 + 10012 WT0 7274 TIP3 H2 HT 0.417000 1.0080 0 + 10013 WT0 7276 TIP3 OH2 OT -0.834000 15.9994 0 + 10014 WT0 7276 TIP3 H1 HT 0.417000 1.0080 0 + 10015 WT0 7276 TIP3 H2 HT 0.417000 1.0080 0 + 10016 WT0 7279 TIP3 OH2 OT -0.834000 15.9994 0 + 10017 WT0 7279 TIP3 H1 HT 0.417000 1.0080 0 + 10018 WT0 7279 TIP3 H2 HT 0.417000 1.0080 0 + 10019 WT0 7280 TIP3 OH2 OT -0.834000 15.9994 0 + 10020 WT0 7280 TIP3 H1 HT 0.417000 1.0080 0 + 10021 WT0 7280 TIP3 H2 HT 0.417000 1.0080 0 + 10022 WT0 7295 TIP3 OH2 OT -0.834000 15.9994 0 + 10023 WT0 7295 TIP3 H1 HT 0.417000 1.0080 0 + 10024 WT0 7295 TIP3 H2 HT 0.417000 1.0080 0 + 10025 WT0 7296 TIP3 OH2 OT -0.834000 15.9994 0 + 10026 WT0 7296 TIP3 H1 HT 0.417000 1.0080 0 + 10027 WT0 7296 TIP3 H2 HT 0.417000 1.0080 0 + 10028 WT0 7298 TIP3 OH2 OT -0.834000 15.9994 0 + 10029 WT0 7298 TIP3 H1 HT 0.417000 1.0080 0 + 10030 WT0 7298 TIP3 H2 HT 0.417000 1.0080 0 + 10031 WT0 7300 TIP3 OH2 OT -0.834000 15.9994 0 + 10032 WT0 7300 TIP3 H1 HT 0.417000 1.0080 0 + 10033 WT0 7300 TIP3 H2 HT 0.417000 1.0080 0 + 10034 WT0 7302 TIP3 OH2 OT -0.834000 15.9994 0 + 10035 WT0 7302 TIP3 H1 HT 0.417000 1.0080 0 + 10036 WT0 7302 TIP3 H2 HT 0.417000 1.0080 0 + 10037 WT0 7303 TIP3 OH2 OT -0.834000 15.9994 0 + 10038 WT0 7303 TIP3 H1 HT 0.417000 1.0080 0 + 10039 WT0 7303 TIP3 H2 HT 0.417000 1.0080 0 + 10040 WT0 7305 TIP3 OH2 OT -0.834000 15.9994 0 + 10041 WT0 7305 TIP3 H1 HT 0.417000 1.0080 0 + 10042 WT0 7305 TIP3 H2 HT 0.417000 1.0080 0 + 10043 WT0 7307 TIP3 OH2 OT -0.834000 15.9994 0 + 10044 WT0 7307 TIP3 H1 HT 0.417000 1.0080 0 + 10045 WT0 7307 TIP3 H2 HT 0.417000 1.0080 0 + 10046 WT0 7311 TIP3 OH2 OT -0.834000 15.9994 0 + 10047 WT0 7311 TIP3 H1 HT 0.417000 1.0080 0 + 10048 WT0 7311 TIP3 H2 HT 0.417000 1.0080 0 + 10049 WT0 7312 TIP3 OH2 OT -0.834000 15.9994 0 + 10050 WT0 7312 TIP3 H1 HT 0.417000 1.0080 0 + 10051 WT0 7312 TIP3 H2 HT 0.417000 1.0080 0 + 10052 WT0 7314 TIP3 OH2 OT -0.834000 15.9994 0 + 10053 WT0 7314 TIP3 H1 HT 0.417000 1.0080 0 + 10054 WT0 7314 TIP3 H2 HT 0.417000 1.0080 0 + 10055 WT0 7316 TIP3 OH2 OT -0.834000 15.9994 0 + 10056 WT0 7316 TIP3 H1 HT 0.417000 1.0080 0 + 10057 WT0 7316 TIP3 H2 HT 0.417000 1.0080 0 + 10058 WT0 7317 TIP3 OH2 OT -0.834000 15.9994 0 + 10059 WT0 7317 TIP3 H1 HT 0.417000 1.0080 0 + 10060 WT0 7317 TIP3 H2 HT 0.417000 1.0080 0 + 10061 WT0 7326 TIP3 OH2 OT -0.834000 15.9994 0 + 10062 WT0 7326 TIP3 H1 HT 0.417000 1.0080 0 + 10063 WT0 7326 TIP3 H2 HT 0.417000 1.0080 0 + 10064 WT0 7331 TIP3 OH2 OT -0.834000 15.9994 0 + 10065 WT0 7331 TIP3 H1 HT 0.417000 1.0080 0 + 10066 WT0 7331 TIP3 H2 HT 0.417000 1.0080 0 + 10067 WT0 7333 TIP3 OH2 OT -0.834000 15.9994 0 + 10068 WT0 7333 TIP3 H1 HT 0.417000 1.0080 0 + 10069 WT0 7333 TIP3 H2 HT 0.417000 1.0080 0 + 10070 WT0 7335 TIP3 OH2 OT -0.834000 15.9994 0 + 10071 WT0 7335 TIP3 H1 HT 0.417000 1.0080 0 + 10072 WT0 7335 TIP3 H2 HT 0.417000 1.0080 0 + 10073 WT0 7344 TIP3 OH2 OT -0.834000 15.9994 0 + 10074 WT0 7344 TIP3 H1 HT 0.417000 1.0080 0 + 10075 WT0 7344 TIP3 H2 HT 0.417000 1.0080 0 + 10076 WT0 7351 TIP3 OH2 OT -0.834000 15.9994 0 + 10077 WT0 7351 TIP3 H1 HT 0.417000 1.0080 0 + 10078 WT0 7351 TIP3 H2 HT 0.417000 1.0080 0 + 10079 WT0 7352 TIP3 OH2 OT -0.834000 15.9994 0 + 10080 WT0 7352 TIP3 H1 HT 0.417000 1.0080 0 + 10081 WT0 7352 TIP3 H2 HT 0.417000 1.0080 0 + 10082 WT0 7353 TIP3 OH2 OT -0.834000 15.9994 0 + 10083 WT0 7353 TIP3 H1 HT 0.417000 1.0080 0 + 10084 WT0 7353 TIP3 H2 HT 0.417000 1.0080 0 + 10085 WT0 7355 TIP3 OH2 OT -0.834000 15.9994 0 + 10086 WT0 7355 TIP3 H1 HT 0.417000 1.0080 0 + 10087 WT0 7355 TIP3 H2 HT 0.417000 1.0080 0 + 10088 WT0 7358 TIP3 OH2 OT -0.834000 15.9994 0 + 10089 WT0 7358 TIP3 H1 HT 0.417000 1.0080 0 + 10090 WT0 7358 TIP3 H2 HT 0.417000 1.0080 0 + 10091 WT0 7361 TIP3 OH2 OT -0.834000 15.9994 0 + 10092 WT0 7361 TIP3 H1 HT 0.417000 1.0080 0 + 10093 WT0 7361 TIP3 H2 HT 0.417000 1.0080 0 + 10094 WT0 7365 TIP3 OH2 OT -0.834000 15.9994 0 + 10095 WT0 7365 TIP3 H1 HT 0.417000 1.0080 0 + 10096 WT0 7365 TIP3 H2 HT 0.417000 1.0080 0 + 10097 WT0 7367 TIP3 OH2 OT -0.834000 15.9994 0 + 10098 WT0 7367 TIP3 H1 HT 0.417000 1.0080 0 + 10099 WT0 7367 TIP3 H2 HT 0.417000 1.0080 0 + 10100 WT0 7374 TIP3 OH2 OT -0.834000 15.9994 0 + 10101 WT0 7374 TIP3 H1 HT 0.417000 1.0080 0 + 10102 WT0 7374 TIP3 H2 HT 0.417000 1.0080 0 + 10103 WT0 7376 TIP3 OH2 OT -0.834000 15.9994 0 + 10104 WT0 7376 TIP3 H1 HT 0.417000 1.0080 0 + 10105 WT0 7376 TIP3 H2 HT 0.417000 1.0080 0 + 10106 WT0 7379 TIP3 OH2 OT -0.834000 15.9994 0 + 10107 WT0 7379 TIP3 H1 HT 0.417000 1.0080 0 + 10108 WT0 7379 TIP3 H2 HT 0.417000 1.0080 0 + 10109 WT0 7395 TIP3 OH2 OT -0.834000 15.9994 0 + 10110 WT0 7395 TIP3 H1 HT 0.417000 1.0080 0 + 10111 WT0 7395 TIP3 H2 HT 0.417000 1.0080 0 + 10112 WT0 7396 TIP3 OH2 OT -0.834000 15.9994 0 + 10113 WT0 7396 TIP3 H1 HT 0.417000 1.0080 0 + 10114 WT0 7396 TIP3 H2 HT 0.417000 1.0080 0 + 10115 WT0 7398 TIP3 OH2 OT -0.834000 15.9994 0 + 10116 WT0 7398 TIP3 H1 HT 0.417000 1.0080 0 + 10117 WT0 7398 TIP3 H2 HT 0.417000 1.0080 0 + 10118 WT0 7399 TIP3 OH2 OT -0.834000 15.9994 0 + 10119 WT0 7399 TIP3 H1 HT 0.417000 1.0080 0 + 10120 WT0 7399 TIP3 H2 HT 0.417000 1.0080 0 + 10121 WT0 7437 TIP3 OH2 OT -0.834000 15.9994 0 + 10122 WT0 7437 TIP3 H1 HT 0.417000 1.0080 0 + 10123 WT0 7437 TIP3 H2 HT 0.417000 1.0080 0 + 10124 WT0 7444 TIP3 OH2 OT -0.834000 15.9994 0 + 10125 WT0 7444 TIP3 H1 HT 0.417000 1.0080 0 + 10126 WT0 7444 TIP3 H2 HT 0.417000 1.0080 0 + 10127 WT0 7472 TIP3 OH2 OT -0.834000 15.9994 0 + 10128 WT0 7472 TIP3 H1 HT 0.417000 1.0080 0 + 10129 WT0 7472 TIP3 H2 HT 0.417000 1.0080 0 + 10130 WT0 7479 TIP3 OH2 OT -0.834000 15.9994 0 + 10131 WT0 7479 TIP3 H1 HT 0.417000 1.0080 0 + 10132 WT0 7479 TIP3 H2 HT 0.417000 1.0080 0 + 10133 WT0 7480 TIP3 OH2 OT -0.834000 15.9994 0 + 10134 WT0 7480 TIP3 H1 HT 0.417000 1.0080 0 + 10135 WT0 7480 TIP3 H2 HT 0.417000 1.0080 0 + 10136 WT0 7481 TIP3 OH2 OT -0.834000 15.9994 0 + 10137 WT0 7481 TIP3 H1 HT 0.417000 1.0080 0 + 10138 WT0 7481 TIP3 H2 HT 0.417000 1.0080 0 + 10139 WT0 7498 TIP3 OH2 OT -0.834000 15.9994 0 + 10140 WT0 7498 TIP3 H1 HT 0.417000 1.0080 0 + 10141 WT0 7498 TIP3 H2 HT 0.417000 1.0080 0 + 10142 WT0 7501 TIP3 OH2 OT -0.834000 15.9994 0 + 10143 WT0 7501 TIP3 H1 HT 0.417000 1.0080 0 + 10144 WT0 7501 TIP3 H2 HT 0.417000 1.0080 0 + 10145 WT0 7503 TIP3 OH2 OT -0.834000 15.9994 0 + 10146 WT0 7503 TIP3 H1 HT 0.417000 1.0080 0 + 10147 WT0 7503 TIP3 H2 HT 0.417000 1.0080 0 + 10148 WT0 7504 TIP3 OH2 OT -0.834000 15.9994 0 + 10149 WT0 7504 TIP3 H1 HT 0.417000 1.0080 0 + 10150 WT0 7504 TIP3 H2 HT 0.417000 1.0080 0 + 10151 WT0 7506 TIP3 OH2 OT -0.834000 15.9994 0 + 10152 WT0 7506 TIP3 H1 HT 0.417000 1.0080 0 + 10153 WT0 7506 TIP3 H2 HT 0.417000 1.0080 0 + 10154 WT0 7508 TIP3 OH2 OT -0.834000 15.9994 0 + 10155 WT0 7508 TIP3 H1 HT 0.417000 1.0080 0 + 10156 WT0 7508 TIP3 H2 HT 0.417000 1.0080 0 + 10157 WT0 7510 TIP3 OH2 OT -0.834000 15.9994 0 + 10158 WT0 7510 TIP3 H1 HT 0.417000 1.0080 0 + 10159 WT0 7510 TIP3 H2 HT 0.417000 1.0080 0 + 10160 WT0 7525 TIP3 OH2 OT -0.834000 15.9994 0 + 10161 WT0 7525 TIP3 H1 HT 0.417000 1.0080 0 + 10162 WT0 7525 TIP3 H2 HT 0.417000 1.0080 0 + 10163 WT0 7527 TIP3 OH2 OT -0.834000 15.9994 0 + 10164 WT0 7527 TIP3 H1 HT 0.417000 1.0080 0 + 10165 WT0 7527 TIP3 H2 HT 0.417000 1.0080 0 + 10166 WT0 7529 TIP3 OH2 OT -0.834000 15.9994 0 + 10167 WT0 7529 TIP3 H1 HT 0.417000 1.0080 0 + 10168 WT0 7529 TIP3 H2 HT 0.417000 1.0080 0 + 10169 WT0 7532 TIP3 OH2 OT -0.834000 15.9994 0 + 10170 WT0 7532 TIP3 H1 HT 0.417000 1.0080 0 + 10171 WT0 7532 TIP3 H2 HT 0.417000 1.0080 0 + 10172 WT0 7544 TIP3 OH2 OT -0.834000 15.9994 0 + 10173 WT0 7544 TIP3 H1 HT 0.417000 1.0080 0 + 10174 WT0 7544 TIP3 H2 HT 0.417000 1.0080 0 + 10175 WT0 7545 TIP3 OH2 OT -0.834000 15.9994 0 + 10176 WT0 7545 TIP3 H1 HT 0.417000 1.0080 0 + 10177 WT0 7545 TIP3 H2 HT 0.417000 1.0080 0 + 10178 WT0 7546 TIP3 OH2 OT -0.834000 15.9994 0 + 10179 WT0 7546 TIP3 H1 HT 0.417000 1.0080 0 + 10180 WT0 7546 TIP3 H2 HT 0.417000 1.0080 0 + 10181 WT0 7557 TIP3 OH2 OT -0.834000 15.9994 0 + 10182 WT0 7557 TIP3 H1 HT 0.417000 1.0080 0 + 10183 WT0 7557 TIP3 H2 HT 0.417000 1.0080 0 + 10184 WT0 7563 TIP3 OH2 OT -0.834000 15.9994 0 + 10185 WT0 7563 TIP3 H1 HT 0.417000 1.0080 0 + 10186 WT0 7563 TIP3 H2 HT 0.417000 1.0080 0 + 10187 WT0 7568 TIP3 OH2 OT -0.834000 15.9994 0 + 10188 WT0 7568 TIP3 H1 HT 0.417000 1.0080 0 + 10189 WT0 7568 TIP3 H2 HT 0.417000 1.0080 0 + 10190 WT0 7572 TIP3 OH2 OT -0.834000 15.9994 0 + 10191 WT0 7572 TIP3 H1 HT 0.417000 1.0080 0 + 10192 WT0 7572 TIP3 H2 HT 0.417000 1.0080 0 + 10193 WT0 7576 TIP3 OH2 OT -0.834000 15.9994 0 + 10194 WT0 7576 TIP3 H1 HT 0.417000 1.0080 0 + 10195 WT0 7576 TIP3 H2 HT 0.417000 1.0080 0 + 10196 WT0 7578 TIP3 OH2 OT -0.834000 15.9994 0 + 10197 WT0 7578 TIP3 H1 HT 0.417000 1.0080 0 + 10198 WT0 7578 TIP3 H2 HT 0.417000 1.0080 0 + 10199 WT0 7590 TIP3 OH2 OT -0.834000 15.9994 0 + 10200 WT0 7590 TIP3 H1 HT 0.417000 1.0080 0 + 10201 WT0 7590 TIP3 H2 HT 0.417000 1.0080 0 + 10202 WT0 7591 TIP3 OH2 OT -0.834000 15.9994 0 + 10203 WT0 7591 TIP3 H1 HT 0.417000 1.0080 0 + 10204 WT0 7591 TIP3 H2 HT 0.417000 1.0080 0 + 10205 WT0 7592 TIP3 OH2 OT -0.834000 15.9994 0 + 10206 WT0 7592 TIP3 H1 HT 0.417000 1.0080 0 + 10207 WT0 7592 TIP3 H2 HT 0.417000 1.0080 0 + 10208 WT0 7595 TIP3 OH2 OT -0.834000 15.9994 0 + 10209 WT0 7595 TIP3 H1 HT 0.417000 1.0080 0 + 10210 WT0 7595 TIP3 H2 HT 0.417000 1.0080 0 + 10211 WT0 7596 TIP3 OH2 OT -0.834000 15.9994 0 + 10212 WT0 7596 TIP3 H1 HT 0.417000 1.0080 0 + 10213 WT0 7596 TIP3 H2 HT 0.417000 1.0080 0 + 10214 WT0 7597 TIP3 OH2 OT -0.834000 15.9994 0 + 10215 WT0 7597 TIP3 H1 HT 0.417000 1.0080 0 + 10216 WT0 7597 TIP3 H2 HT 0.417000 1.0080 0 + 10217 WT0 7603 TIP3 OH2 OT -0.834000 15.9994 0 + 10218 WT0 7603 TIP3 H1 HT 0.417000 1.0080 0 + 10219 WT0 7603 TIP3 H2 HT 0.417000 1.0080 0 + 10220 WT0 7605 TIP3 OH2 OT -0.834000 15.9994 0 + 10221 WT0 7605 TIP3 H1 HT 0.417000 1.0080 0 + 10222 WT0 7605 TIP3 H2 HT 0.417000 1.0080 0 + 10223 WT0 7614 TIP3 OH2 OT -0.834000 15.9994 0 + 10224 WT0 7614 TIP3 H1 HT 0.417000 1.0080 0 + 10225 WT0 7614 TIP3 H2 HT 0.417000 1.0080 0 + 10226 WT0 7617 TIP3 OH2 OT -0.834000 15.9994 0 + 10227 WT0 7617 TIP3 H1 HT 0.417000 1.0080 0 + 10228 WT0 7617 TIP3 H2 HT 0.417000 1.0080 0 + 10229 WT0 7627 TIP3 OH2 OT -0.834000 15.9994 0 + 10230 WT0 7627 TIP3 H1 HT 0.417000 1.0080 0 + 10231 WT0 7627 TIP3 H2 HT 0.417000 1.0080 0 + 10232 WT0 7630 TIP3 OH2 OT -0.834000 15.9994 0 + 10233 WT0 7630 TIP3 H1 HT 0.417000 1.0080 0 + 10234 WT0 7630 TIP3 H2 HT 0.417000 1.0080 0 + 10235 WT0 7631 TIP3 OH2 OT -0.834000 15.9994 0 + 10236 WT0 7631 TIP3 H1 HT 0.417000 1.0080 0 + 10237 WT0 7631 TIP3 H2 HT 0.417000 1.0080 0 + 10238 WT0 7634 TIP3 OH2 OT -0.834000 15.9994 0 + 10239 WT0 7634 TIP3 H1 HT 0.417000 1.0080 0 + 10240 WT0 7634 TIP3 H2 HT 0.417000 1.0080 0 + 10241 WT0 7635 TIP3 OH2 OT -0.834000 15.9994 0 + 10242 WT0 7635 TIP3 H1 HT 0.417000 1.0080 0 + 10243 WT0 7635 TIP3 H2 HT 0.417000 1.0080 0 + 10244 WT0 7638 TIP3 OH2 OT -0.834000 15.9994 0 + 10245 WT0 7638 TIP3 H1 HT 0.417000 1.0080 0 + 10246 WT0 7638 TIP3 H2 HT 0.417000 1.0080 0 + 10247 WT0 7641 TIP3 OH2 OT -0.834000 15.9994 0 + 10248 WT0 7641 TIP3 H1 HT 0.417000 1.0080 0 + 10249 WT0 7641 TIP3 H2 HT 0.417000 1.0080 0 + 10250 WT0 7643 TIP3 OH2 OT -0.834000 15.9994 0 + 10251 WT0 7643 TIP3 H1 HT 0.417000 1.0080 0 + 10252 WT0 7643 TIP3 H2 HT 0.417000 1.0080 0 + 10253 WT0 7644 TIP3 OH2 OT -0.834000 15.9994 0 + 10254 WT0 7644 TIP3 H1 HT 0.417000 1.0080 0 + 10255 WT0 7644 TIP3 H2 HT 0.417000 1.0080 0 + 10256 WT0 7645 TIP3 OH2 OT -0.834000 15.9994 0 + 10257 WT0 7645 TIP3 H1 HT 0.417000 1.0080 0 + 10258 WT0 7645 TIP3 H2 HT 0.417000 1.0080 0 + 10259 WT0 7647 TIP3 OH2 OT -0.834000 15.9994 0 + 10260 WT0 7647 TIP3 H1 HT 0.417000 1.0080 0 + 10261 WT0 7647 TIP3 H2 HT 0.417000 1.0080 0 + 10262 WT0 7648 TIP3 OH2 OT -0.834000 15.9994 0 + 10263 WT0 7648 TIP3 H1 HT 0.417000 1.0080 0 + 10264 WT0 7648 TIP3 H2 HT 0.417000 1.0080 0 + 10265 WT0 7650 TIP3 OH2 OT -0.834000 15.9994 0 + 10266 WT0 7650 TIP3 H1 HT 0.417000 1.0080 0 + 10267 WT0 7650 TIP3 H2 HT 0.417000 1.0080 0 + 10268 WT0 7651 TIP3 OH2 OT -0.834000 15.9994 0 + 10269 WT0 7651 TIP3 H1 HT 0.417000 1.0080 0 + 10270 WT0 7651 TIP3 H2 HT 0.417000 1.0080 0 + 10271 WT0 7661 TIP3 OH2 OT -0.834000 15.9994 0 + 10272 WT0 7661 TIP3 H1 HT 0.417000 1.0080 0 + 10273 WT0 7661 TIP3 H2 HT 0.417000 1.0080 0 + 10274 WT0 7668 TIP3 OH2 OT -0.834000 15.9994 0 + 10275 WT0 7668 TIP3 H1 HT 0.417000 1.0080 0 + 10276 WT0 7668 TIP3 H2 HT 0.417000 1.0080 0 + 10277 WT0 7670 TIP3 OH2 OT -0.834000 15.9994 0 + 10278 WT0 7670 TIP3 H1 HT 0.417000 1.0080 0 + 10279 WT0 7670 TIP3 H2 HT 0.417000 1.0080 0 + 10280 WT0 7675 TIP3 OH2 OT -0.834000 15.9994 0 + 10281 WT0 7675 TIP3 H1 HT 0.417000 1.0080 0 + 10282 WT0 7675 TIP3 H2 HT 0.417000 1.0080 0 + 10283 WT0 7676 TIP3 OH2 OT -0.834000 15.9994 0 + 10284 WT0 7676 TIP3 H1 HT 0.417000 1.0080 0 + 10285 WT0 7676 TIP3 H2 HT 0.417000 1.0080 0 + 10286 WT0 7677 TIP3 OH2 OT -0.834000 15.9994 0 + 10287 WT0 7677 TIP3 H1 HT 0.417000 1.0080 0 + 10288 WT0 7677 TIP3 H2 HT 0.417000 1.0080 0 + 10289 WT0 7679 TIP3 OH2 OT -0.834000 15.9994 0 + 10290 WT0 7679 TIP3 H1 HT 0.417000 1.0080 0 + 10291 WT0 7679 TIP3 H2 HT 0.417000 1.0080 0 + 10292 WT0 7681 TIP3 OH2 OT -0.834000 15.9994 0 + 10293 WT0 7681 TIP3 H1 HT 0.417000 1.0080 0 + 10294 WT0 7681 TIP3 H2 HT 0.417000 1.0080 0 + 10295 WT0 7682 TIP3 OH2 OT -0.834000 15.9994 0 + 10296 WT0 7682 TIP3 H1 HT 0.417000 1.0080 0 + 10297 WT0 7682 TIP3 H2 HT 0.417000 1.0080 0 + 10298 WT0 7689 TIP3 OH2 OT -0.834000 15.9994 0 + 10299 WT0 7689 TIP3 H1 HT 0.417000 1.0080 0 + 10300 WT0 7689 TIP3 H2 HT 0.417000 1.0080 0 + 10301 WT0 7690 TIP3 OH2 OT -0.834000 15.9994 0 + 10302 WT0 7690 TIP3 H1 HT 0.417000 1.0080 0 + 10303 WT0 7690 TIP3 H2 HT 0.417000 1.0080 0 + 10304 WT0 7692 TIP3 OH2 OT -0.834000 15.9994 0 + 10305 WT0 7692 TIP3 H1 HT 0.417000 1.0080 0 + 10306 WT0 7692 TIP3 H2 HT 0.417000 1.0080 0 + 10307 WT0 7693 TIP3 OH2 OT -0.834000 15.9994 0 + 10308 WT0 7693 TIP3 H1 HT 0.417000 1.0080 0 + 10309 WT0 7693 TIP3 H2 HT 0.417000 1.0080 0 + 10310 WT0 7695 TIP3 OH2 OT -0.834000 15.9994 0 + 10311 WT0 7695 TIP3 H1 HT 0.417000 1.0080 0 + 10312 WT0 7695 TIP3 H2 HT 0.417000 1.0080 0 + 10313 WT0 7697 TIP3 OH2 OT -0.834000 15.9994 0 + 10314 WT0 7697 TIP3 H1 HT 0.417000 1.0080 0 + 10315 WT0 7697 TIP3 H2 HT 0.417000 1.0080 0 + 10316 WT0 7698 TIP3 OH2 OT -0.834000 15.9994 0 + 10317 WT0 7698 TIP3 H1 HT 0.417000 1.0080 0 + 10318 WT0 7698 TIP3 H2 HT 0.417000 1.0080 0 + 10319 WT0 7700 TIP3 OH2 OT -0.834000 15.9994 0 + 10320 WT0 7700 TIP3 H1 HT 0.417000 1.0080 0 + 10321 WT0 7700 TIP3 H2 HT 0.417000 1.0080 0 + 10322 WT0 7702 TIP3 OH2 OT -0.834000 15.9994 0 + 10323 WT0 7702 TIP3 H1 HT 0.417000 1.0080 0 + 10324 WT0 7702 TIP3 H2 HT 0.417000 1.0080 0 + 10325 WT0 7705 TIP3 OH2 OT -0.834000 15.9994 0 + 10326 WT0 7705 TIP3 H1 HT 0.417000 1.0080 0 + 10327 WT0 7705 TIP3 H2 HT 0.417000 1.0080 0 + 10328 WT0 7707 TIP3 OH2 OT -0.834000 15.9994 0 + 10329 WT0 7707 TIP3 H1 HT 0.417000 1.0080 0 + 10330 WT0 7707 TIP3 H2 HT 0.417000 1.0080 0 + 10331 WT0 7711 TIP3 OH2 OT -0.834000 15.9994 0 + 10332 WT0 7711 TIP3 H1 HT 0.417000 1.0080 0 + 10333 WT0 7711 TIP3 H2 HT 0.417000 1.0080 0 + 10334 WT0 7712 TIP3 OH2 OT -0.834000 15.9994 0 + 10335 WT0 7712 TIP3 H1 HT 0.417000 1.0080 0 + 10336 WT0 7712 TIP3 H2 HT 0.417000 1.0080 0 + 10337 WT0 7713 TIP3 OH2 OT -0.834000 15.9994 0 + 10338 WT0 7713 TIP3 H1 HT 0.417000 1.0080 0 + 10339 WT0 7713 TIP3 H2 HT 0.417000 1.0080 0 + 10340 WT0 7714 TIP3 OH2 OT -0.834000 15.9994 0 + 10341 WT0 7714 TIP3 H1 HT 0.417000 1.0080 0 + 10342 WT0 7714 TIP3 H2 HT 0.417000 1.0080 0 + 10343 WT0 7715 TIP3 OH2 OT -0.834000 15.9994 0 + 10344 WT0 7715 TIP3 H1 HT 0.417000 1.0080 0 + 10345 WT0 7715 TIP3 H2 HT 0.417000 1.0080 0 + 10346 WT0 7716 TIP3 OH2 OT -0.834000 15.9994 0 + 10347 WT0 7716 TIP3 H1 HT 0.417000 1.0080 0 + 10348 WT0 7716 TIP3 H2 HT 0.417000 1.0080 0 + 10349 WT0 7721 TIP3 OH2 OT -0.834000 15.9994 0 + 10350 WT0 7721 TIP3 H1 HT 0.417000 1.0080 0 + 10351 WT0 7721 TIP3 H2 HT 0.417000 1.0080 0 + 10352 WT0 7732 TIP3 OH2 OT -0.834000 15.9994 0 + 10353 WT0 7732 TIP3 H1 HT 0.417000 1.0080 0 + 10354 WT0 7732 TIP3 H2 HT 0.417000 1.0080 0 + 10355 WT0 7733 TIP3 OH2 OT -0.834000 15.9994 0 + 10356 WT0 7733 TIP3 H1 HT 0.417000 1.0080 0 + 10357 WT0 7733 TIP3 H2 HT 0.417000 1.0080 0 + 10358 WT0 7736 TIP3 OH2 OT -0.834000 15.9994 0 + 10359 WT0 7736 TIP3 H1 HT 0.417000 1.0080 0 + 10360 WT0 7736 TIP3 H2 HT 0.417000 1.0080 0 + 10361 WT0 7737 TIP3 OH2 OT -0.834000 15.9994 0 + 10362 WT0 7737 TIP3 H1 HT 0.417000 1.0080 0 + 10363 WT0 7737 TIP3 H2 HT 0.417000 1.0080 0 + 10364 WT0 7739 TIP3 OH2 OT -0.834000 15.9994 0 + 10365 WT0 7739 TIP3 H1 HT 0.417000 1.0080 0 + 10366 WT0 7739 TIP3 H2 HT 0.417000 1.0080 0 + 10367 WT0 7748 TIP3 OH2 OT -0.834000 15.9994 0 + 10368 WT0 7748 TIP3 H1 HT 0.417000 1.0080 0 + 10369 WT0 7748 TIP3 H2 HT 0.417000 1.0080 0 + 10370 WT0 7750 TIP3 OH2 OT -0.834000 15.9994 0 + 10371 WT0 7750 TIP3 H1 HT 0.417000 1.0080 0 + 10372 WT0 7750 TIP3 H2 HT 0.417000 1.0080 0 + 10373 WT0 7752 TIP3 OH2 OT -0.834000 15.9994 0 + 10374 WT0 7752 TIP3 H1 HT 0.417000 1.0080 0 + 10375 WT0 7752 TIP3 H2 HT 0.417000 1.0080 0 + 10376 WT0 7753 TIP3 OH2 OT -0.834000 15.9994 0 + 10377 WT0 7753 TIP3 H1 HT 0.417000 1.0080 0 + 10378 WT0 7753 TIP3 H2 HT 0.417000 1.0080 0 + 10379 WT0 7754 TIP3 OH2 OT -0.834000 15.9994 0 + 10380 WT0 7754 TIP3 H1 HT 0.417000 1.0080 0 + 10381 WT0 7754 TIP3 H2 HT 0.417000 1.0080 0 + 10382 WT0 7755 TIP3 OH2 OT -0.834000 15.9994 0 + 10383 WT0 7755 TIP3 H1 HT 0.417000 1.0080 0 + 10384 WT0 7755 TIP3 H2 HT 0.417000 1.0080 0 + 10385 WT0 7756 TIP3 OH2 OT -0.834000 15.9994 0 + 10386 WT0 7756 TIP3 H1 HT 0.417000 1.0080 0 + 10387 WT0 7756 TIP3 H2 HT 0.417000 1.0080 0 + 10388 WT0 7762 TIP3 OH2 OT -0.834000 15.9994 0 + 10389 WT0 7762 TIP3 H1 HT 0.417000 1.0080 0 + 10390 WT0 7762 TIP3 H2 HT 0.417000 1.0080 0 + 10391 WT0 7773 TIP3 OH2 OT -0.834000 15.9994 0 + 10392 WT0 7773 TIP3 H1 HT 0.417000 1.0080 0 + 10393 WT0 7773 TIP3 H2 HT 0.417000 1.0080 0 + 10394 WT0 7784 TIP3 OH2 OT -0.834000 15.9994 0 + 10395 WT0 7784 TIP3 H1 HT 0.417000 1.0080 0 + 10396 WT0 7784 TIP3 H2 HT 0.417000 1.0080 0 + 10397 WT0 7790 TIP3 OH2 OT -0.834000 15.9994 0 + 10398 WT0 7790 TIP3 H1 HT 0.417000 1.0080 0 + 10399 WT0 7790 TIP3 H2 HT 0.417000 1.0080 0 + 10400 WT0 7791 TIP3 OH2 OT -0.834000 15.9994 0 + 10401 WT0 7791 TIP3 H1 HT 0.417000 1.0080 0 + 10402 WT0 7791 TIP3 H2 HT 0.417000 1.0080 0 + 10403 WT0 7793 TIP3 OH2 OT -0.834000 15.9994 0 + 10404 WT0 7793 TIP3 H1 HT 0.417000 1.0080 0 + 10405 WT0 7793 TIP3 H2 HT 0.417000 1.0080 0 + 10406 WT0 7798 TIP3 OH2 OT -0.834000 15.9994 0 + 10407 WT0 7798 TIP3 H1 HT 0.417000 1.0080 0 + 10408 WT0 7798 TIP3 H2 HT 0.417000 1.0080 0 + 10409 WT0 7800 TIP3 OH2 OT -0.834000 15.9994 0 + 10410 WT0 7800 TIP3 H1 HT 0.417000 1.0080 0 + 10411 WT0 7800 TIP3 H2 HT 0.417000 1.0080 0 + 10412 WT0 7802 TIP3 OH2 OT -0.834000 15.9994 0 + 10413 WT0 7802 TIP3 H1 HT 0.417000 1.0080 0 + 10414 WT0 7802 TIP3 H2 HT 0.417000 1.0080 0 + 10415 WT0 7804 TIP3 OH2 OT -0.834000 15.9994 0 + 10416 WT0 7804 TIP3 H1 HT 0.417000 1.0080 0 + 10417 WT0 7804 TIP3 H2 HT 0.417000 1.0080 0 + 10418 WT0 7811 TIP3 OH2 OT -0.834000 15.9994 0 + 10419 WT0 7811 TIP3 H1 HT 0.417000 1.0080 0 + 10420 WT0 7811 TIP3 H2 HT 0.417000 1.0080 0 + 10421 WT0 7818 TIP3 OH2 OT -0.834000 15.9994 0 + 10422 WT0 7818 TIP3 H1 HT 0.417000 1.0080 0 + 10423 WT0 7818 TIP3 H2 HT 0.417000 1.0080 0 + 10424 WT0 7820 TIP3 OH2 OT -0.834000 15.9994 0 + 10425 WT0 7820 TIP3 H1 HT 0.417000 1.0080 0 + 10426 WT0 7820 TIP3 H2 HT 0.417000 1.0080 0 + 10427 WT0 7822 TIP3 OH2 OT -0.834000 15.9994 0 + 10428 WT0 7822 TIP3 H1 HT 0.417000 1.0080 0 + 10429 WT0 7822 TIP3 H2 HT 0.417000 1.0080 0 + 10430 WT0 7825 TIP3 OH2 OT -0.834000 15.9994 0 + 10431 WT0 7825 TIP3 H1 HT 0.417000 1.0080 0 + 10432 WT0 7825 TIP3 H2 HT 0.417000 1.0080 0 + 10433 WT0 7833 TIP3 OH2 OT -0.834000 15.9994 0 + 10434 WT0 7833 TIP3 H1 HT 0.417000 1.0080 0 + 10435 WT0 7833 TIP3 H2 HT 0.417000 1.0080 0 + 10436 WT0 7844 TIP3 OH2 OT -0.834000 15.9994 0 + 10437 WT0 7844 TIP3 H1 HT 0.417000 1.0080 0 + 10438 WT0 7844 TIP3 H2 HT 0.417000 1.0080 0 + 10439 WT0 7847 TIP3 OH2 OT -0.834000 15.9994 0 + 10440 WT0 7847 TIP3 H1 HT 0.417000 1.0080 0 + 10441 WT0 7847 TIP3 H2 HT 0.417000 1.0080 0 + 10442 WT0 7848 TIP3 OH2 OT -0.834000 15.9994 0 + 10443 WT0 7848 TIP3 H1 HT 0.417000 1.0080 0 + 10444 WT0 7848 TIP3 H2 HT 0.417000 1.0080 0 + 10445 WT0 7853 TIP3 OH2 OT -0.834000 15.9994 0 + 10446 WT0 7853 TIP3 H1 HT 0.417000 1.0080 0 + 10447 WT0 7853 TIP3 H2 HT 0.417000 1.0080 0 + 10448 WT0 7859 TIP3 OH2 OT -0.834000 15.9994 0 + 10449 WT0 7859 TIP3 H1 HT 0.417000 1.0080 0 + 10450 WT0 7859 TIP3 H2 HT 0.417000 1.0080 0 + 10451 WT0 7860 TIP3 OH2 OT -0.834000 15.9994 0 + 10452 WT0 7860 TIP3 H1 HT 0.417000 1.0080 0 + 10453 WT0 7860 TIP3 H2 HT 0.417000 1.0080 0 + 10454 WT0 7873 TIP3 OH2 OT -0.834000 15.9994 0 + 10455 WT0 7873 TIP3 H1 HT 0.417000 1.0080 0 + 10456 WT0 7873 TIP3 H2 HT 0.417000 1.0080 0 + 10457 WT0 7896 TIP3 OH2 OT -0.834000 15.9994 0 + 10458 WT0 7896 TIP3 H1 HT 0.417000 1.0080 0 + 10459 WT0 7896 TIP3 H2 HT 0.417000 1.0080 0 + 10460 WT0 7904 TIP3 OH2 OT -0.834000 15.9994 0 + 10461 WT0 7904 TIP3 H1 HT 0.417000 1.0080 0 + 10462 WT0 7904 TIP3 H2 HT 0.417000 1.0080 0 + 10463 WT0 7922 TIP3 OH2 OT -0.834000 15.9994 0 + 10464 WT0 7922 TIP3 H1 HT 0.417000 1.0080 0 + 10465 WT0 7922 TIP3 H2 HT 0.417000 1.0080 0 + 10466 WT0 7923 TIP3 OH2 OT -0.834000 15.9994 0 + 10467 WT0 7923 TIP3 H1 HT 0.417000 1.0080 0 + 10468 WT0 7923 TIP3 H2 HT 0.417000 1.0080 0 + 10469 WT0 7945 TIP3 OH2 OT -0.834000 15.9994 0 + 10470 WT0 7945 TIP3 H1 HT 0.417000 1.0080 0 + 10471 WT0 7945 TIP3 H2 HT 0.417000 1.0080 0 + 10472 WT0 7947 TIP3 OH2 OT -0.834000 15.9994 0 + 10473 WT0 7947 TIP3 H1 HT 0.417000 1.0080 0 + 10474 WT0 7947 TIP3 H2 HT 0.417000 1.0080 0 + 10475 WT0 7950 TIP3 OH2 OT -0.834000 15.9994 0 + 10476 WT0 7950 TIP3 H1 HT 0.417000 1.0080 0 + 10477 WT0 7950 TIP3 H2 HT 0.417000 1.0080 0 + 10478 WT0 7951 TIP3 OH2 OT -0.834000 15.9994 0 + 10479 WT0 7951 TIP3 H1 HT 0.417000 1.0080 0 + 10480 WT0 7951 TIP3 H2 HT 0.417000 1.0080 0 + 10481 WT0 7967 TIP3 OH2 OT -0.834000 15.9994 0 + 10482 WT0 7967 TIP3 H1 HT 0.417000 1.0080 0 + 10483 WT0 7967 TIP3 H2 HT 0.417000 1.0080 0 + 10484 WT0 7973 TIP3 OH2 OT -0.834000 15.9994 0 + 10485 WT0 7973 TIP3 H1 HT 0.417000 1.0080 0 + 10486 WT0 7973 TIP3 H2 HT 0.417000 1.0080 0 + 10487 WT0 7983 TIP3 OH2 OT -0.834000 15.9994 0 + 10488 WT0 7983 TIP3 H1 HT 0.417000 1.0080 0 + 10489 WT0 7983 TIP3 H2 HT 0.417000 1.0080 0 + 10490 WT0 7985 TIP3 OH2 OT -0.834000 15.9994 0 + 10491 WT0 7985 TIP3 H1 HT 0.417000 1.0080 0 + 10492 WT0 7985 TIP3 H2 HT 0.417000 1.0080 0 + 10493 WT0 7987 TIP3 OH2 OT -0.834000 15.9994 0 + 10494 WT0 7987 TIP3 H1 HT 0.417000 1.0080 0 + 10495 WT0 7987 TIP3 H2 HT 0.417000 1.0080 0 + 10496 WT0 7989 TIP3 OH2 OT -0.834000 15.9994 0 + 10497 WT0 7989 TIP3 H1 HT 0.417000 1.0080 0 + 10498 WT0 7989 TIP3 H2 HT 0.417000 1.0080 0 + 10499 WT0 7996 TIP3 OH2 OT -0.834000 15.9994 0 + 10500 WT0 7996 TIP3 H1 HT 0.417000 1.0080 0 + 10501 WT0 7996 TIP3 H2 HT 0.417000 1.0080 0 + 10502 WT0 8007 TIP3 OH2 OT -0.834000 15.9994 0 + 10503 WT0 8007 TIP3 H1 HT 0.417000 1.0080 0 + 10504 WT0 8007 TIP3 H2 HT 0.417000 1.0080 0 + 10505 WT0 8010 TIP3 OH2 OT -0.834000 15.9994 0 + 10506 WT0 8010 TIP3 H1 HT 0.417000 1.0080 0 + 10507 WT0 8010 TIP3 H2 HT 0.417000 1.0080 0 + 10508 WT0 8013 TIP3 OH2 OT -0.834000 15.9994 0 + 10509 WT0 8013 TIP3 H1 HT 0.417000 1.0080 0 + 10510 WT0 8013 TIP3 H2 HT 0.417000 1.0080 0 + 10511 WT0 8014 TIP3 OH2 OT -0.834000 15.9994 0 + 10512 WT0 8014 TIP3 H1 HT 0.417000 1.0080 0 + 10513 WT0 8014 TIP3 H2 HT 0.417000 1.0080 0 + 10514 WT0 8019 TIP3 OH2 OT -0.834000 15.9994 0 + 10515 WT0 8019 TIP3 H1 HT 0.417000 1.0080 0 + 10516 WT0 8019 TIP3 H2 HT 0.417000 1.0080 0 + 10517 WT0 8023 TIP3 OH2 OT -0.834000 15.9994 0 + 10518 WT0 8023 TIP3 H1 HT 0.417000 1.0080 0 + 10519 WT0 8023 TIP3 H2 HT 0.417000 1.0080 0 + 10520 WT0 8024 TIP3 OH2 OT -0.834000 15.9994 0 + 10521 WT0 8024 TIP3 H1 HT 0.417000 1.0080 0 + 10522 WT0 8024 TIP3 H2 HT 0.417000 1.0080 0 + 10523 WT0 8027 TIP3 OH2 OT -0.834000 15.9994 0 + 10524 WT0 8027 TIP3 H1 HT 0.417000 1.0080 0 + 10525 WT0 8027 TIP3 H2 HT 0.417000 1.0080 0 + 10526 WT0 8029 TIP3 OH2 OT -0.834000 15.9994 0 + 10527 WT0 8029 TIP3 H1 HT 0.417000 1.0080 0 + 10528 WT0 8029 TIP3 H2 HT 0.417000 1.0080 0 + 10529 WT0 8030 TIP3 OH2 OT -0.834000 15.9994 0 + 10530 WT0 8030 TIP3 H1 HT 0.417000 1.0080 0 + 10531 WT0 8030 TIP3 H2 HT 0.417000 1.0080 0 + 10532 WT0 8034 TIP3 OH2 OT -0.834000 15.9994 0 + 10533 WT0 8034 TIP3 H1 HT 0.417000 1.0080 0 + 10534 WT0 8034 TIP3 H2 HT 0.417000 1.0080 0 + 10535 WT0 8041 TIP3 OH2 OT -0.834000 15.9994 0 + 10536 WT0 8041 TIP3 H1 HT 0.417000 1.0080 0 + 10537 WT0 8041 TIP3 H2 HT 0.417000 1.0080 0 + 10538 WT0 8046 TIP3 OH2 OT -0.834000 15.9994 0 + 10539 WT0 8046 TIP3 H1 HT 0.417000 1.0080 0 + 10540 WT0 8046 TIP3 H2 HT 0.417000 1.0080 0 + 10541 WT0 8050 TIP3 OH2 OT -0.834000 15.9994 0 + 10542 WT0 8050 TIP3 H1 HT 0.417000 1.0080 0 + 10543 WT0 8050 TIP3 H2 HT 0.417000 1.0080 0 + 10544 WT0 8052 TIP3 OH2 OT -0.834000 15.9994 0 + 10545 WT0 8052 TIP3 H1 HT 0.417000 1.0080 0 + 10546 WT0 8052 TIP3 H2 HT 0.417000 1.0080 0 + 10547 WT0 8055 TIP3 OH2 OT -0.834000 15.9994 0 + 10548 WT0 8055 TIP3 H1 HT 0.417000 1.0080 0 + 10549 WT0 8055 TIP3 H2 HT 0.417000 1.0080 0 + 10550 WT0 8058 TIP3 OH2 OT -0.834000 15.9994 0 + 10551 WT0 8058 TIP3 H1 HT 0.417000 1.0080 0 + 10552 WT0 8058 TIP3 H2 HT 0.417000 1.0080 0 + 10553 WT0 8064 TIP3 OH2 OT -0.834000 15.9994 0 + 10554 WT0 8064 TIP3 H1 HT 0.417000 1.0080 0 + 10555 WT0 8064 TIP3 H2 HT 0.417000 1.0080 0 + 10556 WT0 8067 TIP3 OH2 OT -0.834000 15.9994 0 + 10557 WT0 8067 TIP3 H1 HT 0.417000 1.0080 0 + 10558 WT0 8067 TIP3 H2 HT 0.417000 1.0080 0 + 10559 WT0 8068 TIP3 OH2 OT -0.834000 15.9994 0 + 10560 WT0 8068 TIP3 H1 HT 0.417000 1.0080 0 + 10561 WT0 8068 TIP3 H2 HT 0.417000 1.0080 0 + 10562 WT0 8070 TIP3 OH2 OT -0.834000 15.9994 0 + 10563 WT0 8070 TIP3 H1 HT 0.417000 1.0080 0 + 10564 WT0 8070 TIP3 H2 HT 0.417000 1.0080 0 + 10565 WT0 8073 TIP3 OH2 OT -0.834000 15.9994 0 + 10566 WT0 8073 TIP3 H1 HT 0.417000 1.0080 0 + 10567 WT0 8073 TIP3 H2 HT 0.417000 1.0080 0 + 10568 WT0 8076 TIP3 OH2 OT -0.834000 15.9994 0 + 10569 WT0 8076 TIP3 H1 HT 0.417000 1.0080 0 + 10570 WT0 8076 TIP3 H2 HT 0.417000 1.0080 0 + 10571 WT0 8087 TIP3 OH2 OT -0.834000 15.9994 0 + 10572 WT0 8087 TIP3 H1 HT 0.417000 1.0080 0 + 10573 WT0 8087 TIP3 H2 HT 0.417000 1.0080 0 + 10574 WT0 8091 TIP3 OH2 OT -0.834000 15.9994 0 + 10575 WT0 8091 TIP3 H1 HT 0.417000 1.0080 0 + 10576 WT0 8091 TIP3 H2 HT 0.417000 1.0080 0 + 10577 WT0 8094 TIP3 OH2 OT -0.834000 15.9994 0 + 10578 WT0 8094 TIP3 H1 HT 0.417000 1.0080 0 + 10579 WT0 8094 TIP3 H2 HT 0.417000 1.0080 0 + 10580 WT0 8097 TIP3 OH2 OT -0.834000 15.9994 0 + 10581 WT0 8097 TIP3 H1 HT 0.417000 1.0080 0 + 10582 WT0 8097 TIP3 H2 HT 0.417000 1.0080 0 + 10583 WT0 8100 TIP3 OH2 OT -0.834000 15.9994 0 + 10584 WT0 8100 TIP3 H1 HT 0.417000 1.0080 0 + 10585 WT0 8100 TIP3 H2 HT 0.417000 1.0080 0 + 10586 WT0 8101 TIP3 OH2 OT -0.834000 15.9994 0 + 10587 WT0 8101 TIP3 H1 HT 0.417000 1.0080 0 + 10588 WT0 8101 TIP3 H2 HT 0.417000 1.0080 0 + 10589 WT0 8106 TIP3 OH2 OT -0.834000 15.9994 0 + 10590 WT0 8106 TIP3 H1 HT 0.417000 1.0080 0 + 10591 WT0 8106 TIP3 H2 HT 0.417000 1.0080 0 + 10592 WT0 8107 TIP3 OH2 OT -0.834000 15.9994 0 + 10593 WT0 8107 TIP3 H1 HT 0.417000 1.0080 0 + 10594 WT0 8107 TIP3 H2 HT 0.417000 1.0080 0 + 10595 WT0 8109 TIP3 OH2 OT -0.834000 15.9994 0 + 10596 WT0 8109 TIP3 H1 HT 0.417000 1.0080 0 + 10597 WT0 8109 TIP3 H2 HT 0.417000 1.0080 0 + 10598 WT0 8113 TIP3 OH2 OT -0.834000 15.9994 0 + 10599 WT0 8113 TIP3 H1 HT 0.417000 1.0080 0 + 10600 WT0 8113 TIP3 H2 HT 0.417000 1.0080 0 + 10601 WT0 8115 TIP3 OH2 OT -0.834000 15.9994 0 + 10602 WT0 8115 TIP3 H1 HT 0.417000 1.0080 0 + 10603 WT0 8115 TIP3 H2 HT 0.417000 1.0080 0 + 10604 WT0 8117 TIP3 OH2 OT -0.834000 15.9994 0 + 10605 WT0 8117 TIP3 H1 HT 0.417000 1.0080 0 + 10606 WT0 8117 TIP3 H2 HT 0.417000 1.0080 0 + 10607 WT0 8119 TIP3 OH2 OT -0.834000 15.9994 0 + 10608 WT0 8119 TIP3 H1 HT 0.417000 1.0080 0 + 10609 WT0 8119 TIP3 H2 HT 0.417000 1.0080 0 + 10610 WT0 8120 TIP3 OH2 OT -0.834000 15.9994 0 + 10611 WT0 8120 TIP3 H1 HT 0.417000 1.0080 0 + 10612 WT0 8120 TIP3 H2 HT 0.417000 1.0080 0 + 10613 WT0 8132 TIP3 OH2 OT -0.834000 15.9994 0 + 10614 WT0 8132 TIP3 H1 HT 0.417000 1.0080 0 + 10615 WT0 8132 TIP3 H2 HT 0.417000 1.0080 0 + 10616 WT0 8133 TIP3 OH2 OT -0.834000 15.9994 0 + 10617 WT0 8133 TIP3 H1 HT 0.417000 1.0080 0 + 10618 WT0 8133 TIP3 H2 HT 0.417000 1.0080 0 + 10619 WT0 8136 TIP3 OH2 OT -0.834000 15.9994 0 + 10620 WT0 8136 TIP3 H1 HT 0.417000 1.0080 0 + 10621 WT0 8136 TIP3 H2 HT 0.417000 1.0080 0 + 10622 WT0 8140 TIP3 OH2 OT -0.834000 15.9994 0 + 10623 WT0 8140 TIP3 H1 HT 0.417000 1.0080 0 + 10624 WT0 8140 TIP3 H2 HT 0.417000 1.0080 0 + 10625 WT0 8143 TIP3 OH2 OT -0.834000 15.9994 0 + 10626 WT0 8143 TIP3 H1 HT 0.417000 1.0080 0 + 10627 WT0 8143 TIP3 H2 HT 0.417000 1.0080 0 + 10628 WT0 8156 TIP3 OH2 OT -0.834000 15.9994 0 + 10629 WT0 8156 TIP3 H1 HT 0.417000 1.0080 0 + 10630 WT0 8156 TIP3 H2 HT 0.417000 1.0080 0 + 10631 WT0 8173 TIP3 OH2 OT -0.834000 15.9994 0 + 10632 WT0 8173 TIP3 H1 HT 0.417000 1.0080 0 + 10633 WT0 8173 TIP3 H2 HT 0.417000 1.0080 0 + 10634 WT0 8174 TIP3 OH2 OT -0.834000 15.9994 0 + 10635 WT0 8174 TIP3 H1 HT 0.417000 1.0080 0 + 10636 WT0 8174 TIP3 H2 HT 0.417000 1.0080 0 + 10637 WT0 8176 TIP3 OH2 OT -0.834000 15.9994 0 + 10638 WT0 8176 TIP3 H1 HT 0.417000 1.0080 0 + 10639 WT0 8176 TIP3 H2 HT 0.417000 1.0080 0 + 10640 WT0 8181 TIP3 OH2 OT -0.834000 15.9994 0 + 10641 WT0 8181 TIP3 H1 HT 0.417000 1.0080 0 + 10642 WT0 8181 TIP3 H2 HT 0.417000 1.0080 0 + 10643 WT0 8185 TIP3 OH2 OT -0.834000 15.9994 0 + 10644 WT0 8185 TIP3 H1 HT 0.417000 1.0080 0 + 10645 WT0 8185 TIP3 H2 HT 0.417000 1.0080 0 + 10646 WT0 8193 TIP3 OH2 OT -0.834000 15.9994 0 + 10647 WT0 8193 TIP3 H1 HT 0.417000 1.0080 0 + 10648 WT0 8193 TIP3 H2 HT 0.417000 1.0080 0 + 10649 WT0 8201 TIP3 OH2 OT -0.834000 15.9994 0 + 10650 WT0 8201 TIP3 H1 HT 0.417000 1.0080 0 + 10651 WT0 8201 TIP3 H2 HT 0.417000 1.0080 0 + 10652 WT0 8202 TIP3 OH2 OT -0.834000 15.9994 0 + 10653 WT0 8202 TIP3 H1 HT 0.417000 1.0080 0 + 10654 WT0 8202 TIP3 H2 HT 0.417000 1.0080 0 + 10655 WT0 8206 TIP3 OH2 OT -0.834000 15.9994 0 + 10656 WT0 8206 TIP3 H1 HT 0.417000 1.0080 0 + 10657 WT0 8206 TIP3 H2 HT 0.417000 1.0080 0 + 10658 WT0 8212 TIP3 OH2 OT -0.834000 15.9994 0 + 10659 WT0 8212 TIP3 H1 HT 0.417000 1.0080 0 + 10660 WT0 8212 TIP3 H2 HT 0.417000 1.0080 0 + 10661 WT0 8215 TIP3 OH2 OT -0.834000 15.9994 0 + 10662 WT0 8215 TIP3 H1 HT 0.417000 1.0080 0 + 10663 WT0 8215 TIP3 H2 HT 0.417000 1.0080 0 + 10664 WT0 8218 TIP3 OH2 OT -0.834000 15.9994 0 + 10665 WT0 8218 TIP3 H1 HT 0.417000 1.0080 0 + 10666 WT0 8218 TIP3 H2 HT 0.417000 1.0080 0 + 10667 WT0 8222 TIP3 OH2 OT -0.834000 15.9994 0 + 10668 WT0 8222 TIP3 H1 HT 0.417000 1.0080 0 + 10669 WT0 8222 TIP3 H2 HT 0.417000 1.0080 0 + 10670 WT0 8228 TIP3 OH2 OT -0.834000 15.9994 0 + 10671 WT0 8228 TIP3 H1 HT 0.417000 1.0080 0 + 10672 WT0 8228 TIP3 H2 HT 0.417000 1.0080 0 + 10673 WT0 8240 TIP3 OH2 OT -0.834000 15.9994 0 + 10674 WT0 8240 TIP3 H1 HT 0.417000 1.0080 0 + 10675 WT0 8240 TIP3 H2 HT 0.417000 1.0080 0 + 10676 WT0 8241 TIP3 OH2 OT -0.834000 15.9994 0 + 10677 WT0 8241 TIP3 H1 HT 0.417000 1.0080 0 + 10678 WT0 8241 TIP3 H2 HT 0.417000 1.0080 0 + 10679 WT0 8242 TIP3 OH2 OT -0.834000 15.9994 0 + 10680 WT0 8242 TIP3 H1 HT 0.417000 1.0080 0 + 10681 WT0 8242 TIP3 H2 HT 0.417000 1.0080 0 + 10682 WT0 8243 TIP3 OH2 OT -0.834000 15.9994 0 + 10683 WT0 8243 TIP3 H1 HT 0.417000 1.0080 0 + 10684 WT0 8243 TIP3 H2 HT 0.417000 1.0080 0 + 10685 WT0 8247 TIP3 OH2 OT -0.834000 15.9994 0 + 10686 WT0 8247 TIP3 H1 HT 0.417000 1.0080 0 + 10687 WT0 8247 TIP3 H2 HT 0.417000 1.0080 0 + 10688 WT0 8258 TIP3 OH2 OT -0.834000 15.9994 0 + 10689 WT0 8258 TIP3 H1 HT 0.417000 1.0080 0 + 10690 WT0 8258 TIP3 H2 HT 0.417000 1.0080 0 + 10691 WT0 8262 TIP3 OH2 OT -0.834000 15.9994 0 + 10692 WT0 8262 TIP3 H1 HT 0.417000 1.0080 0 + 10693 WT0 8262 TIP3 H2 HT 0.417000 1.0080 0 + 10694 WT0 8263 TIP3 OH2 OT -0.834000 15.9994 0 + 10695 WT0 8263 TIP3 H1 HT 0.417000 1.0080 0 + 10696 WT0 8263 TIP3 H2 HT 0.417000 1.0080 0 + 10697 WT0 8265 TIP3 OH2 OT -0.834000 15.9994 0 + 10698 WT0 8265 TIP3 H1 HT 0.417000 1.0080 0 + 10699 WT0 8265 TIP3 H2 HT 0.417000 1.0080 0 + 10700 WT0 8266 TIP3 OH2 OT -0.834000 15.9994 0 + 10701 WT0 8266 TIP3 H1 HT 0.417000 1.0080 0 + 10702 WT0 8266 TIP3 H2 HT 0.417000 1.0080 0 + 10703 WT0 8279 TIP3 OH2 OT -0.834000 15.9994 0 + 10704 WT0 8279 TIP3 H1 HT 0.417000 1.0080 0 + 10705 WT0 8279 TIP3 H2 HT 0.417000 1.0080 0 + 10706 WT0 8284 TIP3 OH2 OT -0.834000 15.9994 0 + 10707 WT0 8284 TIP3 H1 HT 0.417000 1.0080 0 + 10708 WT0 8284 TIP3 H2 HT 0.417000 1.0080 0 + 10709 WT0 8289 TIP3 OH2 OT -0.834000 15.9994 0 + 10710 WT0 8289 TIP3 H1 HT 0.417000 1.0080 0 + 10711 WT0 8289 TIP3 H2 HT 0.417000 1.0080 0 + 10712 WT0 8290 TIP3 OH2 OT -0.834000 15.9994 0 + 10713 WT0 8290 TIP3 H1 HT 0.417000 1.0080 0 + 10714 WT0 8290 TIP3 H2 HT 0.417000 1.0080 0 + 10715 WT0 8301 TIP3 OH2 OT -0.834000 15.9994 0 + 10716 WT0 8301 TIP3 H1 HT 0.417000 1.0080 0 + 10717 WT0 8301 TIP3 H2 HT 0.417000 1.0080 0 + 10718 WT0 8309 TIP3 OH2 OT -0.834000 15.9994 0 + 10719 WT0 8309 TIP3 H1 HT 0.417000 1.0080 0 + 10720 WT0 8309 TIP3 H2 HT 0.417000 1.0080 0 + 10721 WT0 8322 TIP3 OH2 OT -0.834000 15.9994 0 + 10722 WT0 8322 TIP3 H1 HT 0.417000 1.0080 0 + 10723 WT0 8322 TIP3 H2 HT 0.417000 1.0080 0 + 10724 WT0 8326 TIP3 OH2 OT -0.834000 15.9994 0 + 10725 WT0 8326 TIP3 H1 HT 0.417000 1.0080 0 + 10726 WT0 8326 TIP3 H2 HT 0.417000 1.0080 0 + 10727 WT0 8342 TIP3 OH2 OT -0.834000 15.9994 0 + 10728 WT0 8342 TIP3 H1 HT 0.417000 1.0080 0 + 10729 WT0 8342 TIP3 H2 HT 0.417000 1.0080 0 + 10730 WT0 8345 TIP3 OH2 OT -0.834000 15.9994 0 + 10731 WT0 8345 TIP3 H1 HT 0.417000 1.0080 0 + 10732 WT0 8345 TIP3 H2 HT 0.417000 1.0080 0 + 10733 WT0 8352 TIP3 OH2 OT -0.834000 15.9994 0 + 10734 WT0 8352 TIP3 H1 HT 0.417000 1.0080 0 + 10735 WT0 8352 TIP3 H2 HT 0.417000 1.0080 0 + 10736 WT0 8364 TIP3 OH2 OT -0.834000 15.9994 0 + 10737 WT0 8364 TIP3 H1 HT 0.417000 1.0080 0 + 10738 WT0 8364 TIP3 H2 HT 0.417000 1.0080 0 + 10739 WT0 8370 TIP3 OH2 OT -0.834000 15.9994 0 + 10740 WT0 8370 TIP3 H1 HT 0.417000 1.0080 0 + 10741 WT0 8370 TIP3 H2 HT 0.417000 1.0080 0 + 10742 WT0 8388 TIP3 OH2 OT -0.834000 15.9994 0 + 10743 WT0 8388 TIP3 H1 HT 0.417000 1.0080 0 + 10744 WT0 8388 TIP3 H2 HT 0.417000 1.0080 0 + 10745 WT0 8391 TIP3 OH2 OT -0.834000 15.9994 0 + 10746 WT0 8391 TIP3 H1 HT 0.417000 1.0080 0 + 10747 WT0 8391 TIP3 H2 HT 0.417000 1.0080 0 + 10748 WT0 8393 TIP3 OH2 OT -0.834000 15.9994 0 + 10749 WT0 8393 TIP3 H1 HT 0.417000 1.0080 0 + 10750 WT0 8393 TIP3 H2 HT 0.417000 1.0080 0 + 10751 WT0 8394 TIP3 OH2 OT -0.834000 15.9994 0 + 10752 WT0 8394 TIP3 H1 HT 0.417000 1.0080 0 + 10753 WT0 8394 TIP3 H2 HT 0.417000 1.0080 0 + 10754 WT0 8403 TIP3 OH2 OT -0.834000 15.9994 0 + 10755 WT0 8403 TIP3 H1 HT 0.417000 1.0080 0 + 10756 WT0 8403 TIP3 H2 HT 0.417000 1.0080 0 + 10757 WT0 8408 TIP3 OH2 OT -0.834000 15.9994 0 + 10758 WT0 8408 TIP3 H1 HT 0.417000 1.0080 0 + 10759 WT0 8408 TIP3 H2 HT 0.417000 1.0080 0 + 10760 WT0 8409 TIP3 OH2 OT -0.834000 15.9994 0 + 10761 WT0 8409 TIP3 H1 HT 0.417000 1.0080 0 + 10762 WT0 8409 TIP3 H2 HT 0.417000 1.0080 0 + 10763 WT0 8411 TIP3 OH2 OT -0.834000 15.9994 0 + 10764 WT0 8411 TIP3 H1 HT 0.417000 1.0080 0 + 10765 WT0 8411 TIP3 H2 HT 0.417000 1.0080 0 + 10766 WT0 8412 TIP3 OH2 OT -0.834000 15.9994 0 + 10767 WT0 8412 TIP3 H1 HT 0.417000 1.0080 0 + 10768 WT0 8412 TIP3 H2 HT 0.417000 1.0080 0 + 10769 WT0 8414 TIP3 OH2 OT -0.834000 15.9994 0 + 10770 WT0 8414 TIP3 H1 HT 0.417000 1.0080 0 + 10771 WT0 8414 TIP3 H2 HT 0.417000 1.0080 0 + 10772 WT0 8415 TIP3 OH2 OT -0.834000 15.9994 0 + 10773 WT0 8415 TIP3 H1 HT 0.417000 1.0080 0 + 10774 WT0 8415 TIP3 H2 HT 0.417000 1.0080 0 + 10775 WT0 8425 TIP3 OH2 OT -0.834000 15.9994 0 + 10776 WT0 8425 TIP3 H1 HT 0.417000 1.0080 0 + 10777 WT0 8425 TIP3 H2 HT 0.417000 1.0080 0 + 10778 WT0 8436 TIP3 OH2 OT -0.834000 15.9994 0 + 10779 WT0 8436 TIP3 H1 HT 0.417000 1.0080 0 + 10780 WT0 8436 TIP3 H2 HT 0.417000 1.0080 0 + 10781 WT0 8441 TIP3 OH2 OT -0.834000 15.9994 0 + 10782 WT0 8441 TIP3 H1 HT 0.417000 1.0080 0 + 10783 WT0 8441 TIP3 H2 HT 0.417000 1.0080 0 + 10784 WT0 8446 TIP3 OH2 OT -0.834000 15.9994 0 + 10785 WT0 8446 TIP3 H1 HT 0.417000 1.0080 0 + 10786 WT0 8446 TIP3 H2 HT 0.417000 1.0080 0 + 10787 WT0 8448 TIP3 OH2 OT -0.834000 15.9994 0 + 10788 WT0 8448 TIP3 H1 HT 0.417000 1.0080 0 + 10789 WT0 8448 TIP3 H2 HT 0.417000 1.0080 0 + 10790 WT0 8457 TIP3 OH2 OT -0.834000 15.9994 0 + 10791 WT0 8457 TIP3 H1 HT 0.417000 1.0080 0 + 10792 WT0 8457 TIP3 H2 HT 0.417000 1.0080 0 + 10793 WT0 8462 TIP3 OH2 OT -0.834000 15.9994 0 + 10794 WT0 8462 TIP3 H1 HT 0.417000 1.0080 0 + 10795 WT0 8462 TIP3 H2 HT 0.417000 1.0080 0 + 10796 WT0 8466 TIP3 OH2 OT -0.834000 15.9994 0 + 10797 WT0 8466 TIP3 H1 HT 0.417000 1.0080 0 + 10798 WT0 8466 TIP3 H2 HT 0.417000 1.0080 0 + 10799 WT0 8468 TIP3 OH2 OT -0.834000 15.9994 0 + 10800 WT0 8468 TIP3 H1 HT 0.417000 1.0080 0 + 10801 WT0 8468 TIP3 H2 HT 0.417000 1.0080 0 + 10802 WT0 8481 TIP3 OH2 OT -0.834000 15.9994 0 + 10803 WT0 8481 TIP3 H1 HT 0.417000 1.0080 0 + 10804 WT0 8481 TIP3 H2 HT 0.417000 1.0080 0 + 10805 WT0 8486 TIP3 OH2 OT -0.834000 15.9994 0 + 10806 WT0 8486 TIP3 H1 HT 0.417000 1.0080 0 + 10807 WT0 8486 TIP3 H2 HT 0.417000 1.0080 0 + 10808 WT0 8492 TIP3 OH2 OT -0.834000 15.9994 0 + 10809 WT0 8492 TIP3 H1 HT 0.417000 1.0080 0 + 10810 WT0 8492 TIP3 H2 HT 0.417000 1.0080 0 + 10811 WT0 8507 TIP3 OH2 OT -0.834000 15.9994 0 + 10812 WT0 8507 TIP3 H1 HT 0.417000 1.0080 0 + 10813 WT0 8507 TIP3 H2 HT 0.417000 1.0080 0 + 10814 WT0 8509 TIP3 OH2 OT -0.834000 15.9994 0 + 10815 WT0 8509 TIP3 H1 HT 0.417000 1.0080 0 + 10816 WT0 8509 TIP3 H2 HT 0.417000 1.0080 0 + 10817 WT0 8511 TIP3 OH2 OT -0.834000 15.9994 0 + 10818 WT0 8511 TIP3 H1 HT 0.417000 1.0080 0 + 10819 WT0 8511 TIP3 H2 HT 0.417000 1.0080 0 + 10820 WT0 8518 TIP3 OH2 OT -0.834000 15.9994 0 + 10821 WT0 8518 TIP3 H1 HT 0.417000 1.0080 0 + 10822 WT0 8518 TIP3 H2 HT 0.417000 1.0080 0 + 10823 WT0 8520 TIP3 OH2 OT -0.834000 15.9994 0 + 10824 WT0 8520 TIP3 H1 HT 0.417000 1.0080 0 + 10825 WT0 8520 TIP3 H2 HT 0.417000 1.0080 0 + 10826 WT0 8528 TIP3 OH2 OT -0.834000 15.9994 0 + 10827 WT0 8528 TIP3 H1 HT 0.417000 1.0080 0 + 10828 WT0 8528 TIP3 H2 HT 0.417000 1.0080 0 + 10829 WT0 8534 TIP3 OH2 OT -0.834000 15.9994 0 + 10830 WT0 8534 TIP3 H1 HT 0.417000 1.0080 0 + 10831 WT0 8534 TIP3 H2 HT 0.417000 1.0080 0 + 10832 WT0 8536 TIP3 OH2 OT -0.834000 15.9994 0 + 10833 WT0 8536 TIP3 H1 HT 0.417000 1.0080 0 + 10834 WT0 8536 TIP3 H2 HT 0.417000 1.0080 0 + 10835 WT0 8538 TIP3 OH2 OT -0.834000 15.9994 0 + 10836 WT0 8538 TIP3 H1 HT 0.417000 1.0080 0 + 10837 WT0 8538 TIP3 H2 HT 0.417000 1.0080 0 + 10838 WT0 8543 TIP3 OH2 OT -0.834000 15.9994 0 + 10839 WT0 8543 TIP3 H1 HT 0.417000 1.0080 0 + 10840 WT0 8543 TIP3 H2 HT 0.417000 1.0080 0 + 10841 WT0 8548 TIP3 OH2 OT -0.834000 15.9994 0 + 10842 WT0 8548 TIP3 H1 HT 0.417000 1.0080 0 + 10843 WT0 8548 TIP3 H2 HT 0.417000 1.0080 0 + 10844 WT0 8549 TIP3 OH2 OT -0.834000 15.9994 0 + 10845 WT0 8549 TIP3 H1 HT 0.417000 1.0080 0 + 10846 WT0 8549 TIP3 H2 HT 0.417000 1.0080 0 + 10847 WT0 8551 TIP3 OH2 OT -0.834000 15.9994 0 + 10848 WT0 8551 TIP3 H1 HT 0.417000 1.0080 0 + 10849 WT0 8551 TIP3 H2 HT 0.417000 1.0080 0 + 10850 WT0 8555 TIP3 OH2 OT -0.834000 15.9994 0 + 10851 WT0 8555 TIP3 H1 HT 0.417000 1.0080 0 + 10852 WT0 8555 TIP3 H2 HT 0.417000 1.0080 0 + 10853 WT0 8556 TIP3 OH2 OT -0.834000 15.9994 0 + 10854 WT0 8556 TIP3 H1 HT 0.417000 1.0080 0 + 10855 WT0 8556 TIP3 H2 HT 0.417000 1.0080 0 + 10856 WT0 8558 TIP3 OH2 OT -0.834000 15.9994 0 + 10857 WT0 8558 TIP3 H1 HT 0.417000 1.0080 0 + 10858 WT0 8558 TIP3 H2 HT 0.417000 1.0080 0 + 10859 WT0 8560 TIP3 OH2 OT -0.834000 15.9994 0 + 10860 WT0 8560 TIP3 H1 HT 0.417000 1.0080 0 + 10861 WT0 8560 TIP3 H2 HT 0.417000 1.0080 0 + 10862 WT0 8561 TIP3 OH2 OT -0.834000 15.9994 0 + 10863 WT0 8561 TIP3 H1 HT 0.417000 1.0080 0 + 10864 WT0 8561 TIP3 H2 HT 0.417000 1.0080 0 + 10865 WT0 8564 TIP3 OH2 OT -0.834000 15.9994 0 + 10866 WT0 8564 TIP3 H1 HT 0.417000 1.0080 0 + 10867 WT0 8564 TIP3 H2 HT 0.417000 1.0080 0 + 10868 WT0 8566 TIP3 OH2 OT -0.834000 15.9994 0 + 10869 WT0 8566 TIP3 H1 HT 0.417000 1.0080 0 + 10870 WT0 8566 TIP3 H2 HT 0.417000 1.0080 0 + 10871 WT0 8568 TIP3 OH2 OT -0.834000 15.9994 0 + 10872 WT0 8568 TIP3 H1 HT 0.417000 1.0080 0 + 10873 WT0 8568 TIP3 H2 HT 0.417000 1.0080 0 + 10874 WT0 8574 TIP3 OH2 OT -0.834000 15.9994 0 + 10875 WT0 8574 TIP3 H1 HT 0.417000 1.0080 0 + 10876 WT0 8574 TIP3 H2 HT 0.417000 1.0080 0 + 10877 WT0 8575 TIP3 OH2 OT -0.834000 15.9994 0 + 10878 WT0 8575 TIP3 H1 HT 0.417000 1.0080 0 + 10879 WT0 8575 TIP3 H2 HT 0.417000 1.0080 0 + 10880 WT0 8576 TIP3 OH2 OT -0.834000 15.9994 0 + 10881 WT0 8576 TIP3 H1 HT 0.417000 1.0080 0 + 10882 WT0 8576 TIP3 H2 HT 0.417000 1.0080 0 + 10883 WT0 8577 TIP3 OH2 OT -0.834000 15.9994 0 + 10884 WT0 8577 TIP3 H1 HT 0.417000 1.0080 0 + 10885 WT0 8577 TIP3 H2 HT 0.417000 1.0080 0 + 10886 WT0 8578 TIP3 OH2 OT -0.834000 15.9994 0 + 10887 WT0 8578 TIP3 H1 HT 0.417000 1.0080 0 + 10888 WT0 8578 TIP3 H2 HT 0.417000 1.0080 0 + 10889 WT0 8579 TIP3 OH2 OT -0.834000 15.9994 0 + 10890 WT0 8579 TIP3 H1 HT 0.417000 1.0080 0 + 10891 WT0 8579 TIP3 H2 HT 0.417000 1.0080 0 + 10892 WT0 8582 TIP3 OH2 OT -0.834000 15.9994 0 + 10893 WT0 8582 TIP3 H1 HT 0.417000 1.0080 0 + 10894 WT0 8582 TIP3 H2 HT 0.417000 1.0080 0 + 10895 WT0 8585 TIP3 OH2 OT -0.834000 15.9994 0 + 10896 WT0 8585 TIP3 H1 HT 0.417000 1.0080 0 + 10897 WT0 8585 TIP3 H2 HT 0.417000 1.0080 0 + 10898 WT0 8589 TIP3 OH2 OT -0.834000 15.9994 0 + 10899 WT0 8589 TIP3 H1 HT 0.417000 1.0080 0 + 10900 WT0 8589 TIP3 H2 HT 0.417000 1.0080 0 + 10901 WT0 8599 TIP3 OH2 OT -0.834000 15.9994 0 + 10902 WT0 8599 TIP3 H1 HT 0.417000 1.0080 0 + 10903 WT0 8599 TIP3 H2 HT 0.417000 1.0080 0 + 10904 WT0 8600 TIP3 OH2 OT -0.834000 15.9994 0 + 10905 WT0 8600 TIP3 H1 HT 0.417000 1.0080 0 + 10906 WT0 8600 TIP3 H2 HT 0.417000 1.0080 0 + 10907 WT0 8613 TIP3 OH2 OT -0.834000 15.9994 0 + 10908 WT0 8613 TIP3 H1 HT 0.417000 1.0080 0 + 10909 WT0 8613 TIP3 H2 HT 0.417000 1.0080 0 + 10910 WT0 8617 TIP3 OH2 OT -0.834000 15.9994 0 + 10911 WT0 8617 TIP3 H1 HT 0.417000 1.0080 0 + 10912 WT0 8617 TIP3 H2 HT 0.417000 1.0080 0 + 10913 WT0 8621 TIP3 OH2 OT -0.834000 15.9994 0 + 10914 WT0 8621 TIP3 H1 HT 0.417000 1.0080 0 + 10915 WT0 8621 TIP3 H2 HT 0.417000 1.0080 0 + 10916 WT0 8622 TIP3 OH2 OT -0.834000 15.9994 0 + 10917 WT0 8622 TIP3 H1 HT 0.417000 1.0080 0 + 10918 WT0 8622 TIP3 H2 HT 0.417000 1.0080 0 + 10919 WT0 8624 TIP3 OH2 OT -0.834000 15.9994 0 + 10920 WT0 8624 TIP3 H1 HT 0.417000 1.0080 0 + 10921 WT0 8624 TIP3 H2 HT 0.417000 1.0080 0 + 10922 WT0 8628 TIP3 OH2 OT -0.834000 15.9994 0 + 10923 WT0 8628 TIP3 H1 HT 0.417000 1.0080 0 + 10924 WT0 8628 TIP3 H2 HT 0.417000 1.0080 0 + 10925 WT0 8642 TIP3 OH2 OT -0.834000 15.9994 0 + 10926 WT0 8642 TIP3 H1 HT 0.417000 1.0080 0 + 10927 WT0 8642 TIP3 H2 HT 0.417000 1.0080 0 + 10928 WT0 8645 TIP3 OH2 OT -0.834000 15.9994 0 + 10929 WT0 8645 TIP3 H1 HT 0.417000 1.0080 0 + 10930 WT0 8645 TIP3 H2 HT 0.417000 1.0080 0 + 10931 WT0 8653 TIP3 OH2 OT -0.834000 15.9994 0 + 10932 WT0 8653 TIP3 H1 HT 0.417000 1.0080 0 + 10933 WT0 8653 TIP3 H2 HT 0.417000 1.0080 0 + 10934 WT0 8658 TIP3 OH2 OT -0.834000 15.9994 0 + 10935 WT0 8658 TIP3 H1 HT 0.417000 1.0080 0 + 10936 WT0 8658 TIP3 H2 HT 0.417000 1.0080 0 + 10937 WT0 8662 TIP3 OH2 OT -0.834000 15.9994 0 + 10938 WT0 8662 TIP3 H1 HT 0.417000 1.0080 0 + 10939 WT0 8662 TIP3 H2 HT 0.417000 1.0080 0 + 10940 WT0 8664 TIP3 OH2 OT -0.834000 15.9994 0 + 10941 WT0 8664 TIP3 H1 HT 0.417000 1.0080 0 + 10942 WT0 8664 TIP3 H2 HT 0.417000 1.0080 0 + 10943 WT0 8668 TIP3 OH2 OT -0.834000 15.9994 0 + 10944 WT0 8668 TIP3 H1 HT 0.417000 1.0080 0 + 10945 WT0 8668 TIP3 H2 HT 0.417000 1.0080 0 + 10946 WT0 8675 TIP3 OH2 OT -0.834000 15.9994 0 + 10947 WT0 8675 TIP3 H1 HT 0.417000 1.0080 0 + 10948 WT0 8675 TIP3 H2 HT 0.417000 1.0080 0 + 10949 WT0 8678 TIP3 OH2 OT -0.834000 15.9994 0 + 10950 WT0 8678 TIP3 H1 HT 0.417000 1.0080 0 + 10951 WT0 8678 TIP3 H2 HT 0.417000 1.0080 0 + 10952 WT0 8679 TIP3 OH2 OT -0.834000 15.9994 0 + 10953 WT0 8679 TIP3 H1 HT 0.417000 1.0080 0 + 10954 WT0 8679 TIP3 H2 HT 0.417000 1.0080 0 + 10955 WT0 8683 TIP3 OH2 OT -0.834000 15.9994 0 + 10956 WT0 8683 TIP3 H1 HT 0.417000 1.0080 0 + 10957 WT0 8683 TIP3 H2 HT 0.417000 1.0080 0 + 10958 WT0 8687 TIP3 OH2 OT -0.834000 15.9994 0 + 10959 WT0 8687 TIP3 H1 HT 0.417000 1.0080 0 + 10960 WT0 8687 TIP3 H2 HT 0.417000 1.0080 0 + 10961 WT0 8690 TIP3 OH2 OT -0.834000 15.9994 0 + 10962 WT0 8690 TIP3 H1 HT 0.417000 1.0080 0 + 10963 WT0 8690 TIP3 H2 HT 0.417000 1.0080 0 + 10964 WT0 8691 TIP3 OH2 OT -0.834000 15.9994 0 + 10965 WT0 8691 TIP3 H1 HT 0.417000 1.0080 0 + 10966 WT0 8691 TIP3 H2 HT 0.417000 1.0080 0 + 10967 WT0 8713 TIP3 OH2 OT -0.834000 15.9994 0 + 10968 WT0 8713 TIP3 H1 HT 0.417000 1.0080 0 + 10969 WT0 8713 TIP3 H2 HT 0.417000 1.0080 0 + 10970 WT0 8721 TIP3 OH2 OT -0.834000 15.9994 0 + 10971 WT0 8721 TIP3 H1 HT 0.417000 1.0080 0 + 10972 WT0 8721 TIP3 H2 HT 0.417000 1.0080 0 + 10973 WT0 8722 TIP3 OH2 OT -0.834000 15.9994 0 + 10974 WT0 8722 TIP3 H1 HT 0.417000 1.0080 0 + 10975 WT0 8722 TIP3 H2 HT 0.417000 1.0080 0 + 10976 WT0 8732 TIP3 OH2 OT -0.834000 15.9994 0 + 10977 WT0 8732 TIP3 H1 HT 0.417000 1.0080 0 + 10978 WT0 8732 TIP3 H2 HT 0.417000 1.0080 0 + 10979 WT0 8748 TIP3 OH2 OT -0.834000 15.9994 0 + 10980 WT0 8748 TIP3 H1 HT 0.417000 1.0080 0 + 10981 WT0 8748 TIP3 H2 HT 0.417000 1.0080 0 + 10982 WT0 8756 TIP3 OH2 OT -0.834000 15.9994 0 + 10983 WT0 8756 TIP3 H1 HT 0.417000 1.0080 0 + 10984 WT0 8756 TIP3 H2 HT 0.417000 1.0080 0 + 10985 WT0 8760 TIP3 OH2 OT -0.834000 15.9994 0 + 10986 WT0 8760 TIP3 H1 HT 0.417000 1.0080 0 + 10987 WT0 8760 TIP3 H2 HT 0.417000 1.0080 0 + 10988 WT0 8780 TIP3 OH2 OT -0.834000 15.9994 0 + 10989 WT0 8780 TIP3 H1 HT 0.417000 1.0080 0 + 10990 WT0 8780 TIP3 H2 HT 0.417000 1.0080 0 + 10991 WT0 8794 TIP3 OH2 OT -0.834000 15.9994 0 + 10992 WT0 8794 TIP3 H1 HT 0.417000 1.0080 0 + 10993 WT0 8794 TIP3 H2 HT 0.417000 1.0080 0 + 10994 WT0 8801 TIP3 OH2 OT -0.834000 15.9994 0 + 10995 WT0 8801 TIP3 H1 HT 0.417000 1.0080 0 + 10996 WT0 8801 TIP3 H2 HT 0.417000 1.0080 0 + 10997 WT0 8809 TIP3 OH2 OT -0.834000 15.9994 0 + 10998 WT0 8809 TIP3 H1 HT 0.417000 1.0080 0 + 10999 WT0 8809 TIP3 H2 HT 0.417000 1.0080 0 + 11000 WT0 8813 TIP3 OH2 OT -0.834000 15.9994 0 + 11001 WT0 8813 TIP3 H1 HT 0.417000 1.0080 0 + 11002 WT0 8813 TIP3 H2 HT 0.417000 1.0080 0 + 11003 WT0 8822 TIP3 OH2 OT -0.834000 15.9994 0 + 11004 WT0 8822 TIP3 H1 HT 0.417000 1.0080 0 + 11005 WT0 8822 TIP3 H2 HT 0.417000 1.0080 0 + 11006 WT0 8829 TIP3 OH2 OT -0.834000 15.9994 0 + 11007 WT0 8829 TIP3 H1 HT 0.417000 1.0080 0 + 11008 WT0 8829 TIP3 H2 HT 0.417000 1.0080 0 + 11009 WT0 8833 TIP3 OH2 OT -0.834000 15.9994 0 + 11010 WT0 8833 TIP3 H1 HT 0.417000 1.0080 0 + 11011 WT0 8833 TIP3 H2 HT 0.417000 1.0080 0 + 11012 WT0 8836 TIP3 OH2 OT -0.834000 15.9994 0 + 11013 WT0 8836 TIP3 H1 HT 0.417000 1.0080 0 + 11014 WT0 8836 TIP3 H2 HT 0.417000 1.0080 0 + 11015 WT0 8843 TIP3 OH2 OT -0.834000 15.9994 0 + 11016 WT0 8843 TIP3 H1 HT 0.417000 1.0080 0 + 11017 WT0 8843 TIP3 H2 HT 0.417000 1.0080 0 + 11018 WT0 8848 TIP3 OH2 OT -0.834000 15.9994 0 + 11019 WT0 8848 TIP3 H1 HT 0.417000 1.0080 0 + 11020 WT0 8848 TIP3 H2 HT 0.417000 1.0080 0 + 11021 WT0 8852 TIP3 OH2 OT -0.834000 15.9994 0 + 11022 WT0 8852 TIP3 H1 HT 0.417000 1.0080 0 + 11023 WT0 8852 TIP3 H2 HT 0.417000 1.0080 0 + 11024 WT0 8855 TIP3 OH2 OT -0.834000 15.9994 0 + 11025 WT0 8855 TIP3 H1 HT 0.417000 1.0080 0 + 11026 WT0 8855 TIP3 H2 HT 0.417000 1.0080 0 + 11027 WT0 8865 TIP3 OH2 OT -0.834000 15.9994 0 + 11028 WT0 8865 TIP3 H1 HT 0.417000 1.0080 0 + 11029 WT0 8865 TIP3 H2 HT 0.417000 1.0080 0 + 11030 WT0 8869 TIP3 OH2 OT -0.834000 15.9994 0 + 11031 WT0 8869 TIP3 H1 HT 0.417000 1.0080 0 + 11032 WT0 8869 TIP3 H2 HT 0.417000 1.0080 0 + 11033 WT0 8870 TIP3 OH2 OT -0.834000 15.9994 0 + 11034 WT0 8870 TIP3 H1 HT 0.417000 1.0080 0 + 11035 WT0 8870 TIP3 H2 HT 0.417000 1.0080 0 + 11036 WT0 8886 TIP3 OH2 OT -0.834000 15.9994 0 + 11037 WT0 8886 TIP3 H1 HT 0.417000 1.0080 0 + 11038 WT0 8886 TIP3 H2 HT 0.417000 1.0080 0 + 11039 WT0 8887 TIP3 OH2 OT -0.834000 15.9994 0 + 11040 WT0 8887 TIP3 H1 HT 0.417000 1.0080 0 + 11041 WT0 8887 TIP3 H2 HT 0.417000 1.0080 0 + 11042 WT0 8893 TIP3 OH2 OT -0.834000 15.9994 0 + 11043 WT0 8893 TIP3 H1 HT 0.417000 1.0080 0 + 11044 WT0 8893 TIP3 H2 HT 0.417000 1.0080 0 + 11045 WT0 8894 TIP3 OH2 OT -0.834000 15.9994 0 + 11046 WT0 8894 TIP3 H1 HT 0.417000 1.0080 0 + 11047 WT0 8894 TIP3 H2 HT 0.417000 1.0080 0 + 11048 WT0 8895 TIP3 OH2 OT -0.834000 15.9994 0 + 11049 WT0 8895 TIP3 H1 HT 0.417000 1.0080 0 + 11050 WT0 8895 TIP3 H2 HT 0.417000 1.0080 0 + 11051 WT0 8896 TIP3 OH2 OT -0.834000 15.9994 0 + 11052 WT0 8896 TIP3 H1 HT 0.417000 1.0080 0 + 11053 WT0 8896 TIP3 H2 HT 0.417000 1.0080 0 + 11054 WT0 8898 TIP3 OH2 OT -0.834000 15.9994 0 + 11055 WT0 8898 TIP3 H1 HT 0.417000 1.0080 0 + 11056 WT0 8898 TIP3 H2 HT 0.417000 1.0080 0 + 11057 WT0 8903 TIP3 OH2 OT -0.834000 15.9994 0 + 11058 WT0 8903 TIP3 H1 HT 0.417000 1.0080 0 + 11059 WT0 8903 TIP3 H2 HT 0.417000 1.0080 0 + 11060 WT0 8904 TIP3 OH2 OT -0.834000 15.9994 0 + 11061 WT0 8904 TIP3 H1 HT 0.417000 1.0080 0 + 11062 WT0 8904 TIP3 H2 HT 0.417000 1.0080 0 + 11063 WT0 8905 TIP3 OH2 OT -0.834000 15.9994 0 + 11064 WT0 8905 TIP3 H1 HT 0.417000 1.0080 0 + 11065 WT0 8905 TIP3 H2 HT 0.417000 1.0080 0 + 11066 WT0 8908 TIP3 OH2 OT -0.834000 15.9994 0 + 11067 WT0 8908 TIP3 H1 HT 0.417000 1.0080 0 + 11068 WT0 8908 TIP3 H2 HT 0.417000 1.0080 0 + 11069 WT0 8918 TIP3 OH2 OT -0.834000 15.9994 0 + 11070 WT0 8918 TIP3 H1 HT 0.417000 1.0080 0 + 11071 WT0 8918 TIP3 H2 HT 0.417000 1.0080 0 + 11072 WT0 8919 TIP3 OH2 OT -0.834000 15.9994 0 + 11073 WT0 8919 TIP3 H1 HT 0.417000 1.0080 0 + 11074 WT0 8919 TIP3 H2 HT 0.417000 1.0080 0 + 11075 WT0 8926 TIP3 OH2 OT -0.834000 15.9994 0 + 11076 WT0 8926 TIP3 H1 HT 0.417000 1.0080 0 + 11077 WT0 8926 TIP3 H2 HT 0.417000 1.0080 0 + 11078 WT0 8927 TIP3 OH2 OT -0.834000 15.9994 0 + 11079 WT0 8927 TIP3 H1 HT 0.417000 1.0080 0 + 11080 WT0 8927 TIP3 H2 HT 0.417000 1.0080 0 + 11081 WT0 8928 TIP3 OH2 OT -0.834000 15.9994 0 + 11082 WT0 8928 TIP3 H1 HT 0.417000 1.0080 0 + 11083 WT0 8928 TIP3 H2 HT 0.417000 1.0080 0 + 11084 WT0 8931 TIP3 OH2 OT -0.834000 15.9994 0 + 11085 WT0 8931 TIP3 H1 HT 0.417000 1.0080 0 + 11086 WT0 8931 TIP3 H2 HT 0.417000 1.0080 0 + 11087 WT0 8932 TIP3 OH2 OT -0.834000 15.9994 0 + 11088 WT0 8932 TIP3 H1 HT 0.417000 1.0080 0 + 11089 WT0 8932 TIP3 H2 HT 0.417000 1.0080 0 + 11090 WT0 8935 TIP3 OH2 OT -0.834000 15.9994 0 + 11091 WT0 8935 TIP3 H1 HT 0.417000 1.0080 0 + 11092 WT0 8935 TIP3 H2 HT 0.417000 1.0080 0 + 11093 WT0 8936 TIP3 OH2 OT -0.834000 15.9994 0 + 11094 WT0 8936 TIP3 H1 HT 0.417000 1.0080 0 + 11095 WT0 8936 TIP3 H2 HT 0.417000 1.0080 0 + 11096 WT0 8937 TIP3 OH2 OT -0.834000 15.9994 0 + 11097 WT0 8937 TIP3 H1 HT 0.417000 1.0080 0 + 11098 WT0 8937 TIP3 H2 HT 0.417000 1.0080 0 + 11099 WT0 8938 TIP3 OH2 OT -0.834000 15.9994 0 + 11100 WT0 8938 TIP3 H1 HT 0.417000 1.0080 0 + 11101 WT0 8938 TIP3 H2 HT 0.417000 1.0080 0 + 11102 WT0 8939 TIP3 OH2 OT -0.834000 15.9994 0 + 11103 WT0 8939 TIP3 H1 HT 0.417000 1.0080 0 + 11104 WT0 8939 TIP3 H2 HT 0.417000 1.0080 0 + 11105 WT0 8940 TIP3 OH2 OT -0.834000 15.9994 0 + 11106 WT0 8940 TIP3 H1 HT 0.417000 1.0080 0 + 11107 WT0 8940 TIP3 H2 HT 0.417000 1.0080 0 + 11108 WT0 8949 TIP3 OH2 OT -0.834000 15.9994 0 + 11109 WT0 8949 TIP3 H1 HT 0.417000 1.0080 0 + 11110 WT0 8949 TIP3 H2 HT 0.417000 1.0080 0 + 11111 WT0 8950 TIP3 OH2 OT -0.834000 15.9994 0 + 11112 WT0 8950 TIP3 H1 HT 0.417000 1.0080 0 + 11113 WT0 8950 TIP3 H2 HT 0.417000 1.0080 0 + 11114 WT0 8952 TIP3 OH2 OT -0.834000 15.9994 0 + 11115 WT0 8952 TIP3 H1 HT 0.417000 1.0080 0 + 11116 WT0 8952 TIP3 H2 HT 0.417000 1.0080 0 + 11117 WT0 8954 TIP3 OH2 OT -0.834000 15.9994 0 + 11118 WT0 8954 TIP3 H1 HT 0.417000 1.0080 0 + 11119 WT0 8954 TIP3 H2 HT 0.417000 1.0080 0 + 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